[ "Arg\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 7.2857 3.3804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2857 2.5554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 6.5679 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8554 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1429 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4250 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0000 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 1.3179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9982 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7161 2.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Arg\nM SAP 1 3 1 0 Al 10 0 Br 8 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nMgCl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 MgCl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClMg\nM END\n> \nMgCl\n\n> \nClMg\n\n$$$$\nc-C16H31\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 2.1434 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7183 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5182 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7432 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1683 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3932 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8183 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0433 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4684 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6685 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4435 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6436 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4187 -0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9936 0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7686 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3435 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 1 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 c-C16H31\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C16H31\n\n$$$$\nc-C3H5\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 c-C3H5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C3H5\n\n$$$$\nBTC\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BTC\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBTC\n\n$$$$\nCt\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ct\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nCt\n\n$$$$\nCOs-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COs-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuCO\nM END\n> \nCOs-Bu\n\n> \ns-BuCO\n\n$$$$\nC13H27\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 C13H27\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H27C13\nM END\n> \nC13H27\n\n> \nH27C13\n\n$$$$\nCy\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Cy\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCy\n\n$$$$\nPmc\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8545 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3848 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 2 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Pmc\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nPmc\n\n$$$$\nCe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Ce\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCe\n\n$$$$\n4Py\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 4Py\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n4Py\n\n$$$$\nC16H33\n Mrv15c7 12111511552D \n\n 16 15 0 0 0 0 999 V2000\n 5.9961 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2842 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7131 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 C16H33\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H33C16\nM END\n> \nC16H33\n\n> \nH33C16\n\n$$$$\nADRibof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADRibof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADRibof\n\n$$$$\ns-Butyl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-Butyl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Butyl\n\n$$$$\no-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 o-C6H4\nM SAP 1 2 2 0 1 1 0 2\nM SDS EXP 1 1\nM MJS SAT 1 o-C6H4\nM END\n> \no-C6H4\n\n> \no-C6H4\n\n$$$$\nCys\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Cys\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nSnMe3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SnMe3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3Sn\nM END\n> \nSnMe3\n\n> \nMe3Sn\n\n$$$$\nCyt\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Cyt\nM SAP 1 2 6 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nCyt\n\n$$$$\nBDAllos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDAllos\n\n$$$$\nEE\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 EE\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nEE\n\n$$$$\nOEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 OEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtO\nM END\n> \nOEt\n\n> \nEtO\n\n$$$$\nc-C7H13\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 c-C7H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C7H13\n\n$$$$\np-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 p-Tolyl\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \np-Tolyl\n\n$$$$\nOnPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OnPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 nPrO\nM END\n> \nOnPr\n\n> \nnPrO\n\n$$$$\nSi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Si-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrS\nM END\n> \nSi-Pr\n\n> \ni-PrS\n\n$$$$\nDPTBS\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 6 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 DPTBS\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nDPTBS\n\n$$$$\nNHAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmNH\nM END\n> \nNHAm\n\n> \nAmNH\n\n$$$$\nHmb\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Hmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nHmb\n\n$$$$\nU\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3819 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 5 14 1 6 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 U\nM SDS EXP 1 1\nM END\n> \nU\n\n$$$$\nAsu\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 2.1434 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Asu\nM SAP 1 2 1 0 1 11 0 2\nM SDS EXP 1 1\nM END\n> \nAsu\n\n$$$$\nEt\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Et\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nEt\n\n$$$$\nAsx\n Mrv15c7 12111511552D \n\n 8 7 1 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 5 F 2 7 8\nM ALS 5 2 F N O \nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asx\nM SAP 1 2 1 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADRibop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADRibop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADRibop\n\n$$$$\nZ\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Z\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nZ\n\n$$$$\nIps\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ips\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nIps\n\n$$$$\nNHBn\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NHBn\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnNH\nM END\n> \nNHBn\n\n> \nBnNH\n\n$$$$\nIPA\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 IPA\nM SDS EXP 1 1\nM END\n> \nIPA\n\n$$$$\nOBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuO\nM END\n> \nOBu\n\n> \nBuO\n\n$$$$\nc-Hx\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 c-Hx\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nc-Hx\n\n$$$$\nNHt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHt-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmNH\nM END\n> \nNHt-Am\n\n> \nt-AmNH\n\n$$$$\nn-Hex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-Hex\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Hex\n\n$$$$\nOBz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 OBz\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BzO\nM END\n> \nOBz\n\n> \nBzO\n\n$$$$\nNHBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuNH\nM END\n> \nNHBu\n\n> \nBuNH\n\n$$$$\nAsn\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asn\nM SAP 1 3 1 0 Al 7 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADFruct\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADFruct\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADFruct\n\n$$$$\nMgBr\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 MgBr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BrMg\nM END\n> \nMgBr\n\n> \nBrMg\n\n$$$$\nAsp\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Asp\nM SAP 1 3 1 0 Al 7 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\niAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 iAm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \niAm\n\n$$$$\nFt\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n -1.4534 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6284 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3984 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3984 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Ft\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFt\n\n$$$$\nADIdose\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADIdose\n\n$$$$\nH2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 1.6500 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 H2\nM SDS EXP 1 1\nM END\n> \nH2\n\n$$$$\nOTBDMS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTBDMS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TBDMSO\nM END\n> \nOTBDMS\n\n> \nTBDMSO\n\n$$$$\nOPfp\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 OPfp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PfpO\nM END\n> \nOPfp\n\n> \nPfpO\n\n$$$$\nt-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-C4H9\n\n$$$$\nc-C20H39\n Mrv15c7 12111511552D \n\n 20 20 0 0 0 0 999 V2000\n 2.8579 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3743 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1897 2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4887 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9723 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2712 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7548 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0538 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5374 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8364 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3199 -3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5045 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2056 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3902 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0912 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6076 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3086 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8251 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5261 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0425 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 1 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 c-C20H39\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C20H39\n\n$$$$\niBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 iBu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \niBu\n\n$$$$\nPiv\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Piv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPiv\n\n$$$$\nProp\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Prop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nProp\n\n$$$$\nAmyl\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Amyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAmyl\n\n$$$$\nPic\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pic\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPic\n\n$$$$\nPCl5\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.4924 0.4849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5701 -0.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4924 -0.4849 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5701 0.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 PCl5\nM SDS EXP 1 1\nM END\n> \nPCl5\n\n$$$$\nPiP\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.1105 -2.0625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6039 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 2 0 0 0 0\nM CHG 3 1 -1 6 -1 7 -1\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PiP\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PPi\nM END\n> \nPiP\n\n> \nPPi\n\n$$$$\nC25H51\n Mrv15c7 12111511552D \n\n 25 24 0 0 0 0 999 V2000\n 12.8980 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3270 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0414 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7559 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4704 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1849 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.8993 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6138 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3283 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.0427 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.7572 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.4717 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.1862 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.9006 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.6151 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.3296 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.0440 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.7585 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.4730 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.1874 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.9019 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 28.6164 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 29.3309 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 30.0453 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 C25H51\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H51C25\nM END\n> \nC25H51\n\n> \nH51C25\n\n$$$$\nPCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PCl3\nM SDS EXP 1 1\nM END\n> \nPCl3\n\n$$$$\nCOOAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmOOC\nM END\n> \nCOOAm\n\n> \nAmOOC\n\n$$$$\nAIBN\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 2.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -2.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 3 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 AIBN\nM SDS EXP 1 1\nM END\n> \nAIBN\n\n$$$$\nPht\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.4125 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Pht\nM SAP 1 2 2 0 1 9 0 2\nM SDS EXP 1 1\nM END\n> \nPht\n\n$$$$\nc-C18H35\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 2.5006 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9924 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1398 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6480 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9758 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4841 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3202 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5006 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0089 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8615 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3533 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0255 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5172 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6811 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 c-C18H35\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C18H35\n\n$$$$\nNHAc\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHAc\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AcNH\nM END\n> \nNHAc\n\n> \nAcNH\n\n$$$$\nm-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 m-Tol\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nm-Tol\n\n$$$$\nPhe\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7125 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7125 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Phe\nM SAP 1 2 1 0 Al 10 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADThreo\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ADThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADThreo\n\n$$$$\nH2SO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H2SO4\nM SDS EXP 1 1\nM END\n> \nH2SO4\n\n$$$$\nC8\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.0000 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4241 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1701 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8482 -0.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5942 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2723 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0183 -0.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 C8\nM SAP 1 2 1 0 1 8 0 2\nM SDS EXP 1 1\nM END\n> \nC8\n\n$$$$\nC7\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 C7\nM SAP 1 2 1 0 1 7 0 2\nM SDS EXP 1 1\nM END\n> \nC7\n\n$$$$\nC9\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 C9\nM SAP 1 2 1 0 1 9 0 2\nM SDS EXP 1 1\nM END\n> \nC9\n\n$$$$\nC4\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.0000 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 C4\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nC4\n\n$$$$\nC3\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 C3\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nC3\n\n$$$$\nC6\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.0000 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7571 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4195 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1766 -0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8390 -0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5961 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6\nM SAP 1 2 1 0 1 6 0 2\nM SDS EXP 1 1\nM END\n> \nC6\n\n$$$$\nC5\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 C5\nM SAP 1 2 1 0 1 5 0 2\nM SDS EXP 1 1\nM END\n> \nC5\n\n$$$$\nNHn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHn-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuNH\nM END\n> \nNHn-Bu\n\n> \nn-BuNH\n\n$$$$\ni-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 i-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-C4H9\n\n$$$$\nSO3H\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO3H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO3S\nM END\n> \nSO3H\n\n> \nHO3S\n\n$$$$\nCOOneoAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOneoAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmOOC\nM END\n> \nCOOneoAm\n\n> \nneoAmOOC\n\n$$$$\nBDThreo\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 BDThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDThreo\n\n$$$$\nAc\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Ac\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAc\n\n$$$$\nAd\n Mrv15c7 12111511552D \n\n 10 12 0 0 0 0 999 V2000\n 0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 4 10 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 9 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 6 1 0 0 0 0\n 8 10 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ad\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAd\n\n$$$$\nAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAm\n\n$$$$\nTacm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Tacm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTacm\n\n$$$$\nSuc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Suc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nSuc\n\n$$$$\nC2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 C2\nM SAP 1 2 1 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nC2\n\n$$$$\nc-C10H19\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 c-C10H19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C10H19\n\n$$$$\nOSiME3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OSiME3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiMe3O\nM END\n> \nOSiME3\n\n> \nSiMe3O\n\n$$$$\nPhF\n Mrv15c7 12111511552D \n\n 19 22 0 0 0 0 999 V2000\n 1.9339 -3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6484 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6484 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 7 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 PhF\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nPhF\n\n$$$$\n2-Fur\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 2-Fur\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \n2-Fur\n\n$$$$\nHis\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.8625 1.9393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 2.3518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8625 3.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 4 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 His\nM SAP 1 3 1 0 Al 9 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBu\n\n$$$$\nBt\n Mrv15c7 12111511552D \n\n 9 10 0 0 0 0 999 V2000\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 1 9 1 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Bt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBt\n\n$$$$\nBs\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Bs\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nBs\n\n$$$$\nNHn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHn-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmNH\nM END\n> \nNHn-Am\n\n> \nn-AmNH\n\n$$$$\nPfp\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Pfp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nPfp\n\n$$$$\nBz\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Bz\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBz\n\n$$$$\nc-C6H11\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 c-C6H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C6H11\n\n$$$$\nBDArabif\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDArabif\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDArabif\n\n$$$$\nSta\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -1.9393 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9339 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6464 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2214 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2214 0.0375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.9339 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5036 0.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.2143 0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5036 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2143 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9268 1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Sta\nM SAP 1 2 6 0 Al 10 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CO\nM SAP 1 2 1 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nCO\n\n$$$$\nBn\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Bn\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBn\n\n$$$$\nOn-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 On-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-PrO\nM END\n> \nOn-Pr\n\n> \nn-PrO\n\n$$$$\nBDArabip\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDArabip\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDArabip\n\n$$$$\nCN\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NC\nM END\n> \nCN\n\n> \nNC\n\n$$$$\nOSiEt3\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OSiEt3\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiEt3O\nM END\n> \nOSiEt3\n\n> \nSiEt3O\n\n$$$$\nTMAH\n Mrv15c7 12111511552D \n\n 6 4 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM CHG 2 2 1 6 -1\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 TMAH\nM SDS EXP 1 1\nM END\n> \nTMAH\n\n$$$$\nCO2neo-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2neo-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmO2C\nM END\n> \nCO2neo-Am\n\n> \nneo-AmO2C\n\n$$$$\nCOCl\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COCl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClCO\nM END\n> \nCOCl\n\n> \nClCO\n\n$$$$\nADArabip\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADArabip\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADArabip\n\n$$$$\nH2O2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 H2O2\nM SDS EXP 1 1\nM END\n> \nH2O2\n\n$$$$\nTec\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Tec\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nTec\n\n$$$$\ni-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 i-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-Am\n\n$$$$\nCOOEt\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COOEt\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtOOC\nM END\n> \nCOOEt\n\n> \nEtOOC\n\n$$$$\nLev\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Lev\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nLev\n\n$$$$\nLeu\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Leu\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADLyxof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADLyxof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADLyxof\n\n$$$$\nTcp\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Tcp\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nTcp\n\n$$$$\nCOCO\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COCO\nM SAP 1 2 3 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nCOCO\n\n$$$$\nN3\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 N3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nN3\n\n$$$$\nCOBr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COBr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BrCO\nM END\n> \nCOBr\n\n> \nBrCO\n\n$$$$\nN2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 N2\nM SDS EXP 1 1\nM END\n> \nN2\n\n$$$$\nCOBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuCO\nM END\n> \nCOBu\n\n> \nBuCO\n\n$$$$\nC23H47\n Mrv15c7 12111511552D \n\n 23 22 0 0 0 0 999 V2000\n 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3789 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 C23H47\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H47C23\nM END\n> \nC23H47\n\n> \nH47C23\n\n$$$$\nHcy\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Hcy\nM SAP 1 3 1 0 Al 6 0 Br 5 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nMe\n Mrv15c7 12111511552D \n\n 1 0 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 1 1\nM SMT 1 Me\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMe\n\n$$$$\nCO2i-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2i-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmO2C\nM END\n> \nCO2i-Am\n\n> \ni-AmO2C\n\n$$$$\nADXylop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADXylop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADXylop\n\n$$$$\nEDC\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -3.0493 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6204 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 EDC\nM SDS EXP 1 1\nM END\n> \nEDC\n\n$$$$\nNC\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NC\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CN\nM END\n> \nNC\n\n> \nCN\n\n$$$$\nCOOBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuOOC\nM END\n> \nCOOBu\n\n> \nBuOOC\n\n$$$$\nCO2n-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2n-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuO2C\nM END\n> \nCO2n-Bu\n\n> \nn-BuO2C\n\n$$$$\nPcb\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pcb\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPcb\n\n$$$$\n4Abz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 4Abz\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \n4Abz\n\n$$$$\nneo-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neo-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneo-C5H11\n\n$$$$\nADXylof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADXylof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADXylof\n\n$$$$\nMs\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Ms\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nMs\n\n$$$$\nO2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 O2\nM SDS EXP 1 1\nM END\n> \nO2\n\n$$$$\nNO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ON\nM END\n> \nNO\n\n> \nON\n\n$$$$\nOK\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OK\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KO\nM END\n> \nOK\n\n> \nKO\n\n$$$$\nXan\n Mrv15c7 12111511552D \n\n 14 16 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 2 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Xan\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nXan\n\n$$$$\nADLyxop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADLyxop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADLyxop\n\n$$$$\nCOOBn\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 COOBn\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnOOC\nM END\n> \nCOOBn\n\n> \nBnOOC\n\n$$$$\nTrisyl\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 6 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 4 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 10 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Trisyl\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nTrisyl\n\n$$$$\nDMAP\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DMAP\nM SDS EXP 1 1\nM END\n> \nDMAP\n\n$$$$\nSiEt3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SiEt3\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et3Si\nM END\n> \nSiEt3\n\n> \nEt3Si\n\n$$$$\nDdz\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7309 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5559 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 7 10 2 0 0 0 0\n 3 10 1 0 0 0 0\n 5 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Ddz\nM SAP 1 1 15 0 1\nM SDS EXP 1 1\nM END\n> \nDdz\n\n$$$$\nNs\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Ns\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNs\n\n$$$$\nDPIPS\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 DPIPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDPIPS\n\n$$$$\nCO2n-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2n-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmO2C\nM END\n> \nCO2n-Am\n\n> \nn-AmO2C\n\n$$$$\nDSorbo\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DSorbo\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDSorbo\n\n$$$$\nMEM\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 MEM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMEM\n\n$$$$\nNp\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Np\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nNp\n\n$$$$\nHex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Hex\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nHex\n\n$$$$\nKMnO4\n Mrv15c7 12111511552D \n\n 6 4 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 3 6 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 KMnO4\nM SDS EXP 1 1\nM END\n> \nKMnO4\n\n$$$$\nPbp\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Pbp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nPbp\n\n$$$$\nDRibul\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DRibul\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDRibul\n\n$$$$\nC3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 C3H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H7C3\nM END\n> \nC3H7\n\n> \nH7C3\n\n$$$$\ni-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 i-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-Bu\n\n$$$$\nVal\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Val\nM SAP 1 2 5 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nDIAD\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 9 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DIAD\nM SDS EXP 1 1\nM END\n> \nDIAD\n\n$$$$\nMe3N\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Me3N\nM SDS EXP 1 1\nM END\n> \nMe3N\n\n$$$$\nPbf\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 3.2789 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5645 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7798 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6818 0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6818 -0.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 -0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4223 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7079 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 8 14 1 0 0 0 0\n 5 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pbf\nM SAP 1 1 15 0 1\nM SDS EXP 1 1\nM END\n> \nPbf\n\n$$$$\nDde\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dde\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDde\n\n$$$$\nNHiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmNH\nM END\n> \nNHiAm\n\n> \niAmNH\n\n$$$$\nOCN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 OCN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NCO\nM END\n> \nOCN\n\n> \nNCO\n\n$$$$\nOBn\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OBn\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnO\nM END\n> \nOBn\n\n> \nBnO\n\n$$$$\nc-C21H41\n Mrv15c7 12111511552D \n\n 21 21 0 0 0 0 999 V2000\n 3.3596 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9899 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6909 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4939 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8853 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4504 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8400 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4050 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7947 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3597 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5351 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1002 -3.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2756 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8860 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3209 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9313 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3662 -0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9766 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4115 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0219 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4569 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 1 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 c-C21H41\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C21H41\n\n$$$$\nDTagat\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DTagat\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDTagat\n\n$$$$\nc-C25H49\n Mrv15c7 12111511552D \n\n 25 25 0 0 0 0 999 V2000\n 4.0795 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7073 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4104 3.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2171 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6122 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1806 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5736 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1419 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5349 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1032 -1.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4962 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0645 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2398 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8081 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9834 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5904 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0221 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6291 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0608 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6678 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0995 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7065 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1382 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7452 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1769 3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 1 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 c-C25H49\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C25H49\n\n$$$$\nI2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 I2\nM SDS EXP 1 1\nM END\n> \nI2\n\n$$$$\nOTIPS\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTIPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TIPSO\nM END\n> \nOTIPS\n\n> \nTIPSO\n\n$$$$\nCO2tAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2tAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmO2C\nM END\n> \nCO2tAm\n\n> \ntAmO2C\n\n$$$$\nPac\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Pac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPac\n\n$$$$\nOH2+\n Mrv15c7 12111511552D \n\n 1 0 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 1 1 1\nM STY 1 1 SUP\nM SAL 1 1 1\nM SMT 1 OH2+\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 +H2O\nM END\n> \nOH2+\n\n> \n+H2O\n\n$$$$\nOneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmO\nM END\n> \nOneoAm\n\n> \nneoAmO\n\n$$$$\nCPh3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 CPh3\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph3C\nM END\n> \nCPh3\n\n> \nPh3C\n\n$$$$\nPal\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pal\nM SAP 1 1 16 0 1\nM SDS EXP 1 1\nM END\n> \nPal\n\n$$$$\nAc2O\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Ac2O\nM SDS EXP 1 1\nM END\n> \nAc2O\n\n$$$$\nBDLyxop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDLyxop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDLyxop\n\n$$$$\nNHt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHt-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuNH\nM END\n> \nNHt-Bu\n\n> \nt-BuNH\n\n$$$$\nOAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmO\nM END\n> \nOAm\n\n> \nAmO\n\n$$$$\n2ClZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 2ClZ\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \n2ClZ\n\n$$$$\nXaa\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Xaa\nM SAP 1 2 1 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Oi-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmO\nM END\n> \nOi-Am\n\n> \ni-AmO\n\n$$$$\nBDLyxof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDLyxof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDLyxof\n\n$$$$\nOAc\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OAc\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AcO\nM END\n> \nOAc\n\n> \nAcO\n\n$$$$\nOTos\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTos\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TosO\nM END\n> \nOTos\n\n> \nTosO\n\n$$$$\nMCA\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 7 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 3 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 MCA\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMCA\n\n$$$$\nDan\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 4 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dan\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDan\n\n$$$$\nIm\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Im\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nIm\n\n$$$$\nBam\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Bam\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBam\n\n$$$$\nFarnesyl\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Farnesyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFarnesyl\n\n$$$$\nc-C24H47\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7521 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 1 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 c-C24H47\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C24H47\n\n$$$$\nDRibos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DRibos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDRibos\n\n$$$$\nCO2tBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2tBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuO2C\nM END\n> \nCO2tBu\n\n> \ntBuO2C\n\n$$$$\nCO2i-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2i-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-BuO2C\nM END\n> \nCO2i-Bu\n\n> \ni-BuO2C\n\n$$$$\nt-Butyl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-Butyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-Butyl\n\n$$$$\nDErythu\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DErythu\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDErythu\n\n$$$$\nCOOn-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOn-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmOOC\nM END\n> \nCOOn-Am\n\n> \nn-AmOOC\n\n$$$$\nDEryth\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDEryth\n\n$$$$\nIBX\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n 0.4243 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4743 -2.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 2 12 1 0 0 0 0\n 7 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 IBX\nM SDS EXP 1 1\nM END\n> \nIBX\n\n$$$$\nCONEt2\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CONEt2\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et2NCO\nM END\n> \nCONEt2\n\n> \nEt2NCO\n\n$$$$\nOTre\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OTre\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TreO\nM END\n> \nOTre\n\n> \nTreO\n\n$$$$\nt-C6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 t-C6H13\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nt-C6H13\n\n$$$$\nCOsBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COsBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuCO\nM END\n> \nCOsBu\n\n> \nsBuCO\n\n$$$$\nCOCF3\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COCF3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CF3CO\nM END\n> \nCOCF3\n\n> \nCF3CO\n\n$$$$\nCOOneo-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOneo-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmOOC\nM END\n> \nCOOneo-Am\n\n> \nneo-AmOOC\n\n$$$$\nDdiv\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 6 14 1 0 0 0 0\n 14 15 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Ddiv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDdiv\n\n$$$$\nTBAF\n Mrv15c7 12111511552D \n\n 18 16 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 F 0 5 0 0 0 0 0 0 0 0 0 0\n 3.4032 2.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 2.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 1.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 0.2942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.8321 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 -0.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1177 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 -2.1808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0071 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5946 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7696 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3571 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6571 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0696 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6571 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8321 -1.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM CHG 2 1 -1 6 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 TBAF\nM SDS EXP 1 1\nM END\n> \nTBAF\n\n$$$$\nTFMSA\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 TFMSA\nM SDS EXP 1 1\nM END\n> \nTFMSA\n\n$$$$\ncHx\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cHx\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncHx\n\n$$$$\nEDCI\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n -3.0493 1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3349 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6204 1.5395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 EDCI\nM SDS EXP 1 1\nM END\n> \nEDCI\n\n$$$$\nster\n Mrv15c7 12111511552D \n\n 17 20 0 0 0 0 999 V2000\n 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 6 15 1 0 0 0 0\n 10 15 1 0 0 0 0\n 7 16 1 0 0 0 0\n 3 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 ster\nM SDS EXP 1 1\nM END\n> \nster\n\n$$$$\nDIEA\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DIEA\nM SDS EXP 1 1\nM END\n> \nDIEA\n\n$$$$\nMOM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MOM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMOM\n\n$$$$\nSiMe3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SiMe3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3Si\nM END\n> \nSiMe3\n\n> \nMe3Si\n\n$$$$\nTosyl\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTosyl\n\n$$$$\ns-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 s-Am\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Am\n\n$$$$\nCOONa\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COONa\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaOOC\nM END\n> \nCOONa\n\n> \nNaOOC\n\n$$$$\nHSO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 1 3 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HSO4\nM SDS EXP 1 1\nM END\n> \nHSO4\n\n$$$$\nDmnb\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 3 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Dmnb\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nDmnb\n\n$$$$\nCOOn-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOn-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuOOC\nM END\n> \nCOOn-Bu\n\n> \nn-BuOOC\n\n$$$$\nCBr3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CBr3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Br3C\nM END\n> \nCBr3\n\n> \nBr3C\n\n$$$$\nDXylos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DXylos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDXylos\n\n$$$$\n4-OMe-Bz\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 4-OMe-Bz\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n4-OMe-Bz\n\n$$$$\nEDANS\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0329 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6829 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 5 14 1 0 0 0 0\n 10 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\n 15 18 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 EDANS\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nEDANS\n\n$$$$\nCOtBu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuCO\nM END\n> \nCOtBu\n\n> \ntBuCO\n\n$$$$\nHMPA\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 HMPA\nM SDS EXP 1 1\nM END\n> \nHMPA\n\n$$$$\nTs\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ts\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTs\n\n$$$$\nTMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.1067 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6078 4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6078 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 3.1152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 2.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.6548 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9097 1.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.4248 0.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7347 1.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.2197 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8841 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3690 -1.0679 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8539 -1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7016 -1.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0365 -0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9897 1.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0367 3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7512 3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0367 4.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3222 5.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 12 15 2 0 0 0 0\n 9 16 1 0 0 0 0\n 5 16 1 0 0 0 0\n 4 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 2 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 TMP\nM SDS EXP 1 1\nM END\n> \nTMP\n\n$$$$\nTMT\n Mrv15c7 12111511552D \n\n 25 27 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5724 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 10 17 1 0 0 0 0\n 9 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 21 24 1 0 0 0 0\n 24 25 2 0 0 0 0\n 18 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 TMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nTMT\n\n$$$$\nTMS\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 TMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTMS\n\n$$$$\nm-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 m-Phenylene\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nm-Phenylene\n\n$$$$\nTf\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Tf\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTf\n\n$$$$\nAac\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Aac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAac\n\n$$$$\nDmoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Dmoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDmoc\n\n$$$$\nNva\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Nva\nM SAP 1 2 5 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nN+Me3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 1 2 1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 N+Me3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me3N+\nM END\n> \nN+Me3\n\n> \nMe3N+\n\n$$$$\nCOOMe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COOMe\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeOOC\nM END\n> \nCOOMe\n\n> \nMeOOC\n\n$$$$\nSu\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Su\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nSu\n\n$$$$\nAbu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Abu\nM SAP 1 2 4 0 Al 5 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nC5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H11C5\nM END\n> \nC5H11\n\n> \nH11C5\n\n$$$$\nCl2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Cl2\nM SDS EXP 1 1\nM END\n> \nCl2\n\n$$$$\nNaph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Naph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNaph\n\n$$$$\nAbz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Abz\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nAbz\n\n$$$$\nAMCA\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 2 15 1 0 0 0 0\n 9 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 AMCA\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nAMCA\n\n$$$$\nDMF\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 DMF\nM SDS EXP 1 1\nM END\n> \nDMF\n\n$$$$\nDME\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DME\nM SDS EXP 1 1\nM END\n> \nDME\n\n$$$$\nOSu\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OSu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SuO\nM END\n> \nOSu\n\n> \nSuO\n\n$$$$\nDMA\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMA\nM SDS EXP 1 1\nM END\n> \nDMA\n\n$$$$\nAcN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 AcN\nM SDS EXP 1 1\nM END\n> \nAcN\n\n$$$$\nMMT\n Mrv15c7 12111511552D \n\n 21 23 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 MMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMMT\n\n$$$$\nBiotinyl\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n -3.8821 0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3301 0.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.9176 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1106 0.5655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0244 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -1.3099 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5955 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1190 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8335 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5480 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2624 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7781 -0.5905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -2.2260 -1.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1906 -1.3050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9975 -1.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6106 -1.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0838 -0.3130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 5 12 1 0 0 0 0\n 2 12 1 0 0 0 0\n 12 13 1 6 0 0 0\n 12 14 1 1 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 1 0 0 0 0\n 2 17 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Biotinyl\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nBiotinyl\n\n$$$$\nc-C12H23\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 c-C12H23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C12H23\n\n$$$$\nDMS\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 DMS\nM SDS EXP 1 1\nM END\n> \nDMS\n\n$$$$\nDMT\n Mrv15c7 12111511552D \n\n 23 25 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 16 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 DMT\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMT\n\n$$$$\nOTf\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTf\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TfO\nM END\n> \nOTf\n\n> \nTfO\n\n$$$$\nOTs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 OTs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TsO\nM END\n> \nOTs\n\n> \nTsO\n\n$$$$\nEsc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 4.5375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Esc\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nEsc\n\n$$$$\nC4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H9C4\nM END\n> \nC4H9\n\n> \nH9C4\n\n$$$$\nAcm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Acm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAcm\n\n$$$$\nSs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ss-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmS\nM END\n> \nSs-Am\n\n> \ns-AmS\n\n$$$$\nTHP\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 THP\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTHP\n\n$$$$\nMTBE\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 MTBE\nM SDS EXP 1 1\nM END\n> \nMTBE\n\n$$$$\ncyclobutyl\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 cyclobutyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclobutyl\n\n$$$$\nCONMe2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CONMe2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me2NCO\nM END\n> \nCONMe2\n\n> \nMe2NCO\n\n$$$$\nn-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 n-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C5H11\n\n$$$$\nTHF\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 THF\nM SDS EXP 1 1\nM END\n> \nTHF\n\n$$$$\nCH2CH2Ph\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CH2CH2Ph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhCh2CH2\nM END\n> \nCH2CH2Ph\n\n> \nPhCh2CH2\n\n$$$$\nPv\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Pv\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPv\n\n$$$$\nPr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Pr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPr\n\n$$$$\n2BrZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 2BrZ\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \n2BrZ\n\n$$$$\nSer\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ser\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nAde\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 2.7600 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0673 -1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3329 -1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1208 -2.4452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2970 -2.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.7201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6402 -1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6819 -0.3759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4163 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1090 -0.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Ade\nM SAP 1 2 6 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nAde\n\n$$$$\nNHs-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHs-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuNH\nM END\n> \nNHs-Bu\n\n> \ns-BuNH\n\n$$$$\nDGalac\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDGalac\n\n$$$$\nPy\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Py\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPy\n\n$$$$\nGua\n Mrv15c7 12111511552D \n\n 11 12 0 0 0 0 999 V2000\n 3.4524 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7168 -2.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0255 -2.4714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2899 -2.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2455 -1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4484 -1.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5201 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9368 -0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8925 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6724 -1.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 4 8 1 0 0 0 0\n 5 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Gua\nM SAP 1 2 8 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nGua\n\n$$$$\nSO2Ph\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 SO2Ph\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhSO2\nM END\n> \nSO2Ph\n\n> \nPhSO2\n\n$$$$\nC24H49\n Mrv15c7 12111511552D \n\n 24 23 0 0 0 0 999 V2000\n 10.9461 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6644 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3789 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 C24H49\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H49C24\nM END\n> \nC24H49\n\n> \nH49C24\n\n$$$$\nAlloc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Alloc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nAlloc\n\n$$$$\nCOOPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrOOC\nM END\n> \nCOOPr\n\n> \nPrOOC\n\n$$$$\nCONH2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CONH2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NH2CO\nM END\n> \nCONH2\n\n> \nNH2CO\n\n$$$$\nPh\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ph\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPh\n\n$$$$\nc-C14H27\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.7862 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3263 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4064 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8664 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5963 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7862 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2461 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1659 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7060 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9760 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 1 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 c-C14H27\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C14H27\n\n$$$$\nPyl\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 1.6071 -1.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9911 -1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.1875 -1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2250 -0.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3268 0.0321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0768 -0.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.7946 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7946 0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5071 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2196 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6500 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3625 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0804 0.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 6.0804 0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7929 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5107 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 1 1 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 6 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Pyl\nM SAP 1 2 15 0 Al 16 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nn-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 n-C4H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C4H9\n\n$$$$\nCO2iPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2iPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrO2C\nM END\n> \nCO2iPr\n\n> \niPrO2C\n\n$$$$\nDansyl\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 4 13 1 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dansyl\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDansyl\n\n$$$$\nAlCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 AlCl3\nM SDS EXP 1 1\nM END\n> \nAlCl3\n\n$$$$\nDHP\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DHP\nM SDS EXP 1 1\nM END\n> \nDHP\n\n$$$$\nOiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrO\nM END\n> \nOiPr\n\n> \niPrO\n\n$$$$\nPOCl3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POCl3\nM SDS EXP 1 1\nM END\n> \nPOCl3\n\n$$$$\nNaNO2\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NaNO2\nM SDS EXP 1 1\nM END\n> \nNaNO2\n\n$$$$\nNaNO3\n Mrv15c7 12111511552D \n\n 5 3 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM CHG 4 1 1 2 -1 3 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NaNO3\nM SDS EXP 1 1\nM END\n> \nNaNO3\n\n$$$$\nTFE\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 TFE\nM SDS EXP 1 1\nM END\n> \nTFE\n\n$$$$\nCOOPh\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 COOPh\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhOOC\nM END\n> \nCOOPh\n\n> \nPhOOC\n\n$$$$\nDIC\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DIC\nM SDS EXP 1 1\nM END\n> \nDIC\n\n$$$$\nNpys\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Npys\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nNpys\n\n$$$$\nSs-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ss-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuS\nM END\n> \nSs-Bu\n\n> \ns-BuS\n\n$$$$\nTES\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TES\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nTES\n\n$$$$\nSK\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SK\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KS\nM END\n> \nSK\n\n> \nKS\n\n$$$$\nSec\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4304 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sec\nM SAP 1 3 1 0 Al 5 0 Br 4 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCOEt\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtCO\nM END\n> \nCOEt\n\n> \nEtCO\n\n$$$$\nIndole\n Mrv15c7 12111511552D \n\n 9 10 0 0 0 0 999 V2000\n -0.1435 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1435 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Indole\nM SDS EXP 1 1\nM END\n> \nIndole\n\n$$$$\nNHs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHs-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmNH\nM END\n> \nNHs-Am\n\n> \ns-AmNH\n\n$$$$\nCOOtAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOtAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmOOC\nM END\n> \nCOOtAm\n\n> \ntAmOOC\n\n$$$$\nOMs\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OMs\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MsO\nM END\n> \nOMs\n\n> \nMsO\n\n$$$$\nC12H25\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 3.5211 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 C12H25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H25C12\nM END\n> \nC12H25\n\n> \nH25C12\n\n$$$$\nKOH\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 KOH\nM SDS EXP 1 1\nM END\n> \nKOH\n\n$$$$\ni-Pr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 i-Pr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ni-Pr\n\n$$$$\nSO2Cl\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO2Cl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ClSO2\nM END\n> \nSO2Cl\n\n> \nClSO2\n\n$$$$\ntAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 tAm\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \ntAm\n\n$$$$\nt-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 t-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nt-Bu\n\n$$$$\nCOSH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COSH\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HSCO\nM END\n> \nCOSH\n\n> \nHSCO\n\n$$$$\nNle\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Nle\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeO\nM END\n> \nOMe\n\n> \nMeO\n\n$$$$\nCpm\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.2382 1.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Cpm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCpm\n\n$$$$\nTcboc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tcboc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTcboc\n\n$$$$\nUra\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ura\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nUra\n\n$$$$\nBenzyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Benzyl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBenzyl\n\n$$$$\nONp\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\nM CHG 2 8 1 9 -1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ONp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NpO\nM END\n> \nONp\n\n> \nNpO\n\n$$$$\nSneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmS\nM END\n> \nSneoAm\n\n> \nneoAmS\n\n$$$$\nONa\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 ONa\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaO\nM END\n> \nONa\n\n> \nNaO\n\n$$$$\ni-C3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 i-C3H7\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ni-C3H7\n\n$$$$\ntBu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 tBu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ntBu\n\n$$$$\nBDEryth\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 BDEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDEryth\n\n$$$$\nMDPS\n Mrv15c7 12111511552D \n\n 14 15 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 9 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 MDPS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nMDPS\n\n$$$$\nBhoc\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 4 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Bhoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBhoc\n\n$$$$\nCO2n-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2n-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-PrO2C\nM END\n> \nCO2n-Pr\n\n> \nn-PrO2C\n\n$$$$\nt-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-Am\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nt-Am\n\n$$$$\nPro\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n -0.1446 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Pro\nM SAP 1 2 7 0 Al 2 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nAcet\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Acet\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAcet\n\n$$$$\nEtOH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 EtOH\nM SDS EXP 1 1\nM END\n> \nEtOH\n\n$$$$\nOMe3Si\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OMe3Si\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SiMe3O\nM END\n> \nOMe3Si\n\n> \nSiMe3O\n\n$$$$\nTIPS\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 TIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nTIPS\n\n$$$$\nBDGulos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGulos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGulos\n\n$$$$\nCOPh\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COPh\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhCO\nM END\n> \nCOPh\n\n> \nPhCO\n\n$$$$\nBDGluco\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGluco\n\n$$$$\nCOPr\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrCO\nM END\n> \nCOPr\n\n> \nPrCO\n\n$$$$\nH3PO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H3PO4\nM SDS EXP 1 1\nM END\n> \nH3PO4\n\n$$$$\nNMe2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NMe2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Me2N\nM END\n> \nNMe2\n\n> \nMe2N\n\n$$$$\n4BrZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 4BrZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n4BrZ\n\n$$$$\nDPsico\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DPsico\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDPsico\n\n$$$$\ns-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 s-C5H11\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-C5H11\n\n$$$$\nBDXylof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDXylof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDXylof\n\n$$$$\nC6H5\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6H5\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nC6H5\n\n$$$$\nAla\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 6 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ala\nM SAP 1 2 3 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nOLi\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 OLi\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 LiO\nM END\n> \nOLi\n\n> \nLiO\n\n$$$$\nCO2iBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2iBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iBuO2C\nM END\n> \nCO2iBu\n\n> \niBuO2C\n\n$$$$\nC7H15\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 C7H15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H15C7\nM END\n> \nC7H15\n\n> \nH15C7\n\n$$$$\nBDXylop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDXylop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDXylop\n\n$$$$\nMTM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MTM\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMTM\n\n$$$$\nc-C17H33\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 2.6371 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2708 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9690 1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7669 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1531 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7137 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0987 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 -1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8348 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3954 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1860 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6255 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2405 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6799 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7343 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 c-C17H33\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C17H33\n\n$$$$\nHClO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HClO4\nM SDS EXP 1 1\nM END\n> \nHClO4\n\n$$$$\nAMP\n Mrv15c7 12111511552D \n\n 23 25 0 0 1 0 999 V2000\n 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7846 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7846 1.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0396 1.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.8242 2.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8242 2.9445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -2.4916 3.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4054 4.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.0728 4.7348 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7403 5.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5879 5.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5577 4.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0396 3.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7846 3.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5546 2.5320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.2704 2.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 7 6 1 6 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 12 15 2 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 16 18 1 0 0 0 0\n 7 18 1 0 0 0 0\n 18 19 1 1 0 0 0\n 6 20 1 0 0 0 0\n 3 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 2 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 AMP\nM SDS EXP 1 1\nM END\n> \nAMP\n\n$$$$\nAll\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 All\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAll\n\n$$$$\nNps\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Nps\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNps\n\n$$$$\ns-C4H9\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-C4H9\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-C4H9\n\n$$$$\nCO2iAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2iAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmO2C\nM END\n> \nCO2iAm\n\n> \niAmO2C\n\n$$$$\nOs-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Os-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuO\nM END\n> \nOs-Bu\n\n> \ns-BuO\n\n$$$$\nMSM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MSM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMSM\n\n$$$$\nCOOK\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 COOK\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KOOC\nM END\n> \nCOOK\n\n> \nKOOC\n\n$$$$\nCOOH\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COOH\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HOOC\nM END\n> \nCOOH\n\n> \nHOOC\n\n$$$$\nNpe\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\nM CHG 2 9 1 10 -1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Npe\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNpe\n\n$$$$\nCOiPr\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 COiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrCO\nM END\n> \nCOiPr\n\n> \niPrCO\n\n$$$$\nDNPS\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\nM CHG 4 1 -1 2 1 11 1 12 -1\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 DNPS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nDNPS\n\n$$$$\nTPP\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM CHG 1 7 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 TPP\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTPP\n\n$$$$\nHippuryl\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Hippuryl\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nHippuryl\n\n$$$$\ncycloheptyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 cycloheptyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncycloheptyl\n\n$$$$\nC16\n Mrv15c7 12111511552D \n\n 16 15 0 0 0 0 999 V2000\n 0.0000 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7298 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4279 -0.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1577 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8558 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5856 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2837 -0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0135 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7115 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4413 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1394 -0.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8692 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5673 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2971 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9952 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7250 -0.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 C16\nM SAP 1 2 1 0 1 16 0 2\nM SDS EXP 1 1\nM END\n> \nC16\n\n$$$$\nC17\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 C17\nM SAP 1 2 1 0 1 17 0 2\nM SDS EXP 1 1\nM END\n> \nC17\n\n$$$$\nC18\n Mrv15c7 12111511552D \n\n 18 17 0 0 0 0 999 V2000\n 0.0000 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7281 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4281 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1562 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8562 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5843 -0.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2844 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0124 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7125 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4405 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1406 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8687 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5687 -0.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2968 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9968 -0.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7249 -0.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4249 -0.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1530 -0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 C18\nM SAP 1 2 1 0 1 18 0 2\nM SDS EXP 1 1\nM END\n> \nC18\n\n$$$$\nC19\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 C19\nM SAP 1 2 1 0 1 19 0 2\nM SDS EXP 1 1\nM END\n> \nC19\n\n$$$$\nCoA\n Mrv15c7 12111511552D \n\n 48 50 0 0 1 0 999 V2000\n 5.9065 -7.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3190 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7315 -5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6045 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8900 -6.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1755 -6.2957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7630 -7.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5880 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4611 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7466 -6.2957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1591 -7.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3341 -5.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0321 -6.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3177 -6.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6032 -6.7082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.5169 -7.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2900 -7.7002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7025 -6.9857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -1.5230 -6.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1505 -6.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3220 -5.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2911 -5.0136 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8431 -5.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2610 -4.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9042 -4.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6256 -8.4539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2131 -9.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7651 -9.7815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5188 -9.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2725 -9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3587 -10.6019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9399 -9.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8537 -8.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1000 -8.1405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4326 -8.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0334 -7.1207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 7.0334 -7.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7479 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7479 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4624 -7.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1768 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8913 -7.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6058 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6058 -5.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3202 -7.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0347 -6.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7492 -7.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4637 -6.7082 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 15 14 1 1 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 6 0 0 0\n 18 20 1 0 0 0 0\n 15 20 1 0 0 0 0\n 20 21 1 6 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 2 0 0 0 0\n 17 26 1 1 0 0 0\n 26 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 2 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 33 34 1 0 0 0 0\n 34 35 2 0 0 0 0\n 26 35 1 0 0 0 0\n 29 35 1 0 0 0 0\n 2 36 1 0 0 0 0\n 36 37 1 6 0 0 0\n 36 38 1 0 0 0 0\n 38 39 2 0 0 0 0\n 38 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 2 0 0 0 0\n 43 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45\nM SAL 1 3 46 47 48\nM SMT 1 CoA\nM SAP 1 1 48 0 1\nM SDS EXP 1 1\nM END\n> \nCoA\n\n$$$$\ntHex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 tHex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ntHex\n\n$$$$\nGln\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Gln\nM SAP 1 3 1 0 Al 8 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nC10\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7394 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4260 -0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1654 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8520 -0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5914 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2780 -0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0174 -0.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7040 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4435 -0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 C10\nM SAP 1 2 1 0 1 10 0 2\nM SDS EXP 1 1\nM END\n> \nC10\n\n$$$$\nGlp\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.2804 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5679 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9804 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1554 -0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3321 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1018 0.6268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 6 8 1 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Glp\nM SAP 1 2 8 0 Al 1 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nBOP\n Mrv15c7 12111511552D \n\n 27 27 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 -0.8764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 -0.7049 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 5.3481 -0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6031 0.2513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1181 0.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6031 1.5861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3877 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1022 1.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8166 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8166 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1022 0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3877 0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7127 -1.5119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4973 -1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0996 -2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3696 0.1021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9827 0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5850 0.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 13 21 1 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 11 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 25 27 1 0 0 0 0\nM CHG 2 2 -1 11 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27\nM SMT 1 BOP\nM SDS EXP 1 1\nM END\n> \nBOP\n\n$$$$\nC11\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 C11\nM SAP 1 2 1 0 1 11 0 2\nM SDS EXP 1 1\nM END\n> \nC11\n\n$$$$\nOi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Oi-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrO\nM END\n> \nOi-Pr\n\n> \ni-PrO\n\n$$$$\nC12\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 0.0000 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7351 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4270 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1621 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8540 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5891 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2809 -0.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0160 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7079 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4430 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8700 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 C12\nM SAP 1 2 1 0 1 12 0 2\nM SDS EXP 1 1\nM END\n> \nC12\n\n$$$$\nC13\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 C13\nM SAP 1 2 1 0 1 13 0 2\nM SDS EXP 1 1\nM END\n> \nC13\n\n$$$$\nC14\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 0.0000 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4275 -0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1596 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8551 -0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5871 -0.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2826 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0147 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7101 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4422 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1377 -0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8697 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5652 -0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2973 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 C14\nM SAP 1 2 1 0 1 14 0 2\nM SDS EXP 1 1\nM END\n> \nC14\n\n$$$$\nC20H41\n Mrv15c7 12111511552D \n\n 20 19 0 0 0 0 999 V2000\n 8.4711 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4737 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1881 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6171 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3315 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 C20H41\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H41C20\nM END\n> \nC20H41\n\n> \nH41C20\n\n$$$$\nC15\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 C15\nM SAP 1 2 1 0 1 15 0 2\nM SDS EXP 1 1\nM END\n> \nC15\n\n$$$$\nGlu\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Glu\nM SAP 1 3 1 0 Al 8 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nGlx\n Mrv15c7 12111511552D \n\n 9 8 1 0 0 0 999 V2000\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 L 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 6 F 2 7 8\nM ALS 6 2 F N O \nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Glx\nM SAP 1 2 1 0 Al 8 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nADTagat\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADTagat\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADTagat\n\n$$$$\nGly\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 Gly\nM SAP 1 2 1 0 Al 3 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nDXylul\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DXylul\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDXylul\n\n$$$$\nCH2CH3\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CH2CH3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CH3CH2\nM END\n> \nCH2CH3\n\n> \nCH3CH2\n\n$$$$\no-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 o-Phenylene\nM SAP 1 2 2 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \no-Phenylene\n\n$$$$\nADAltro\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAltro\n\n$$$$\nCOOiPr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOiPr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrOOC\nM END\n> \nCOOiPr\n\n> \niPrOOC\n\n$$$$\nC25\n Mrv15c7 12111511552D \n\n 25 24 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0039 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4328 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.1473 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 C25\nM SAP 1 2 1 0 1 25 0 2\nM SDS EXP 1 1\nM END\n> \nC25\n\n$$$$\nC23\n Mrv15c7 12111511552D \n\n 23 22 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0039 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7184 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 C23\nM SAP 1 2 1 0 1 23 0 2\nM SDS EXP 1 1\nM END\n> \nC23\n\n$$$$\nC24\n Mrv15c7 12111511552D \n\n 24 23 0 0 0 0 999 V2000\n 0.0000 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7246 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4285 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1531 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8570 -0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5816 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2855 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0101 -0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7140 -0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4386 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1425 -0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8671 -0.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5710 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2955 -0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9994 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7240 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4279 -0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1525 -0.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8564 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5810 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2849 -0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0095 -0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.7134 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.4380 -0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 C24\nM SAP 1 2 1 0 1 24 0 2\nM SDS EXP 1 1\nM END\n> \nC24\n\n$$$$\nCOMU\n Mrv15c7 12111511552D \n\n 27 26 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 3.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 3.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0218 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3073 2.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0218 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 0.5775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -0.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -1.4850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4507 -3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -2.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7363 -1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 -0.2475 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 6.8797 -0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1652 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3073 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5929 0.1650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 17 22 1 0 0 0 0\n 16 23 2 0 0 0 0\n 23 24 1 0 0 0 0\n 23 25 1 0 0 0 0\n 13 26 1 0 0 0 0\n 26 27 3 0 0 0 0\nM CHG 2 2 -1 23 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 12 16 17 18 19 20 21 22 23 24 25 26 27\nM SMT 1 COMU\nM SDS EXP 1 1\nM END\n> \nCOMU\n\n$$$$\nC21\n Mrv15c7 12111511552D \n\n 21 20 0 0 0 0 999 V2000\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8592 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2881 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0026 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7171 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4315 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1460 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8605 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5749 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2894 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 C21\nM SAP 1 2 1 0 1 21 0 2\nM SDS EXP 1 1\nM END\n> \nC21\n\n$$$$\nC22\n Mrv15c7 12111511552D \n\n 22 21 0 0 0 0 999 V2000\n 0.0000 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7255 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4284 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1539 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8568 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5823 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2852 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0107 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7136 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4391 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1420 -0.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8675 -0.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5704 -0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2960 -0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9988 -0.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7244 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4272 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1528 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8556 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5812 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.2840 -0.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0096 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 C22\nM SAP 1 2 1 0 1 22 0 2\nM SDS EXP 1 1\nM END\n> \nC22\n\n$$$$\nC20\n Mrv15c7 12111511552D \n\n 20 19 0 0 0 0 999 V2000\n 0.0000 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7267 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4283 -0.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1550 -0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8566 -0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5832 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2848 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0115 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7131 -0.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4398 -0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1414 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8681 -0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5697 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2964 -0.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9980 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.7246 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.4263 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.1529 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.8545 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.5812 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 C20\nM SAP 1 2 1 0 1 20 0 2\nM SDS EXP 1 1\nM END\n> \nC20\n\n$$$$\nCOOtBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOtBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuOOC\nM END\n> \nCOOtBu\n\n> \ntBuOOC\n\n$$$$\np-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 p-C6H4\nM SAP 1 2 4 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \np-C6H4\n\n$$$$\nTNP\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 6 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\nM CHG 6 1 -1 2 1 10 1 11 -1 13 1 14 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 TNP\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTNP\n\n$$$$\nAoa\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.5401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8064 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Aoa\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nAoa\n\n$$$$\nPoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Poc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nPoc\n\n$$$$\nHATU\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3112 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -1.3645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.5411 -2.1492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5807 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5807 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 -1.5221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0932 1.3680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 5.9002 1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8382 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\nM CHG 4 2 -1 14 1 15 -1 22 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 HATU\nM SDS EXP 1 1\nM END\n> \nHATU\n\n$$$$\n2-OHEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 2-OHEt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n2-OHEt\n\n$$$$\nCpe\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Cpe\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nCpe\n\n$$$$\nOPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 OPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrO\nM END\n> \nOPr\n\n> \nPrO\n\n$$$$\nPhacm\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Phacm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPhacm\n\n$$$$\no-Nos\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 o-Nos\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \no-Nos\n\n$$$$\nt-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 t-C5H11\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nt-C5H11\n\n$$$$\nOleoyl\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n -1.2888 7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5743 7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5743 6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1401 5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1401 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8546 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8546 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5691 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Oleoyl\nM SAP 1 1 18 0 1\nM SDS EXP 1 1\nM END\n> \nOleoyl\n\n$$$$\nN2+\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1 2 3 0 0 0 0\nM CHG 1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 N2+\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nN2+\n\n$$$$\nTroc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Troc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTroc\n\n$$$$\nOPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 OPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhO\nM END\n> \nOPh\n\n> \nPhO\n\n$$$$\nBDIdose\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDIdose\n\n$$$$\nCOMe\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeCO\nM END\n> \nCOMe\n\n> \nMeCO\n\n$$$$\nMPM\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 MPM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nMPM\n\n$$$$\nOs-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Os-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmO\nM END\n> \nOs-Am\n\n> \ns-AmO\n\n$$$$\nN+Et4\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 N+Et4\nM SDS EXP 1 1\nM MJS SAT 1 Et4N+\nM END\n> \nN+Et4\n\n> \nEt4N+\n\n$$$$\nSMPT\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.2700 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5401 -0.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3502 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6203 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4304 -1.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9705 -1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7806 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0507 -2.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7004 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8903 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 SMPT\nM SAP 1 2 3 0 1 8 0 2\nM SDS EXP 1 1\nM END\n> \nSMPT\n\n$$$$\nN+Et3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 N+Et3\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et3N+\nM END\n> \nN+Et3\n\n> \nEt3N+\n\n$$$$\nNHi-Pr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHi-Pr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrNH\nM END\n> \nNHi-Pr\n\n> \ni-PrNH\n\n$$$$\nCeoc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 -1.0164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Ceoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nCeoc\n\n$$$$\nBum\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Bum\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBum\n\n$$$$\nNHneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmNH\nM END\n> \nNHneo-Am\n\n> \nneo-AmNH\n\n$$$$\nCOOiAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOiAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmOOC\nM END\n> \nCOOiAm\n\n> \niAmOOC\n\n$$$$\nPF6\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\nM CHG 1 2 -1\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 PF6\nM SDS EXP 1 1\nM END\n> \nPF6\n\n$$$$\nDManno\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDManno\n\n$$$$\np-Phenylene\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 1.6500 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 p-Phenylene\nM SAP 1 2 4 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \np-Phenylene\n\n$$$$\nBtm\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Btm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBtm\n\n$$$$\nc-C9H17\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 1.1333 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9086 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3211 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1778 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5458 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7208 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0888 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0544 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3581 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 c-C9H17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C9H17\n\n$$$$\nTyr\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n -0.7125 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7125 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7125 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 4 10 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Tyr\nM SAP 1 3 1 0 Al 11 0 Br 8 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCOOiBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOiBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iBuOOC\nM END\n> \nCOOiBu\n\n> \niBuOOC\n\n$$$$\nNpes\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\n 7 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 4 14 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Npes\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nNpes\n\n$$$$\nDTBS\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.6500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 DTBS\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nDTBS\n\n$$$$\nIle\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.1929 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Ile\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\n1-Naph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 1-Naph\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n1-Naph\n\n$$$$\nPyBOP\n Mrv15c7 12111511552D \n\n 33 36 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3537 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8966 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5097 -0.6791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1742 -1.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3167 -0.5076 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 6.1237 -0.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3786 0.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8937 1.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3786 1.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1632 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8777 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5922 1.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5922 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8777 0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1632 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4882 -1.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2419 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1556 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3487 -2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9362 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1452 0.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3915 0.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4777 1.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2847 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6972 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 1 0 0 0 0\n 11 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 15 23 1 0 0 0 0\n 18 23 1 0 0 0 0\n 13 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 24 28 1 0 0 0 0\n 13 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 1 0 0 0 0\n 29 33 1 0 0 0 0\nM CHG 2 2 -1 13 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 3 31 32 33\nM SMT 1 PyBOP\nM SDS EXP 1 1\nM END\n> \nPyBOP\n\n$$$$\nPI3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PI3\nM SDS EXP 1 1\nM END\n> \nPI3\n\n$$$$\nADManno\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADManno\n\n$$$$\nt-Hex\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 t-Hex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nt-Hex\n\n$$$$\ndA\n Mrv15c7 12111511552D \n\n 21 23 0 0 1 0 999 V2000\n 0.6659 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6979 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4279 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2020 -0.9236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7125 -1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2538 -2.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5390 -3.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.3330 -3.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3650 -4.0803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.0507 -4.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9964 -5.3622 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6822 -5.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2563 -5.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5908 -4.3655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.3666 -5.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5669 -5.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0804 -3.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4599 -2.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7620 -2.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0320 -2.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.2643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 7 6 1 1 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 2 0 0 0 0\n 9 14 1 0 0 0 0\n 14 15 1 1 0 0 0\n 15 16 1 0 0 0 0\n 14 17 1 0 0 0 0\n 7 17 1 0 0 0 0\n 6 18 1 0 0 0 0\n 3 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 2 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 dA\nM SAP 1 2 16 0 1 11 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndA\n\n$$$$\ndC\n Mrv15c7 12111511552D \n\n 19 20 0 0 1 0 999 V2000\n 0.2426 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5278 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3408 -0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6260 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4391 -1.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0982 -2.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2852 -2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3834 -3.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1774 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2094 -4.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.8951 -4.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8408 -5.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5266 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1007 -5.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4353 -4.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2110 -5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4113 -5.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9248 -3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 9 6 1 1 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 17 18 1 0 0 0 0\n 16 19 1 0 0 0 0\n 9 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 dC\nM SAP 1 2 18 0 1 13 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndC\n\n$$$$\nOTMS\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OTMS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TMSO\nM END\n> \nOTMS\n\n> \nTMSO\n\n$$$$\nBzh\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Bzh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBzh\n\n$$$$\nBzl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Bzl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBzl\n\n$$$$\nBDPsico\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDPsico\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDPsico\n\n$$$$\nDIPEA\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DIPEA\nM SDS EXP 1 1\nM END\n> \nDIPEA\n\n$$$$\nring25\n Mrv15c7 12111511552D \n\n 25 25 0 0 0 0 999 V2000\n 4.0795 3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7073 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4104 3.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2171 2.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6122 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1806 0.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5736 0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1419 -0.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5349 -1.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1032 -1.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4962 -2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0645 -3.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2398 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8081 -4.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9834 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5904 -3.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0221 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6291 -1.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0608 -1.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6678 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0995 0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7065 1.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1382 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7452 2.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1769 3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 1 25 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 10 16 17 18 19 20 21 22 23 24 25\nM SMT 1 ring25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring25\n\n$$$$\nring24\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 3.5724 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0594 3.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8796 3.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2128 2.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7258 1.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0590 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5720 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9052 -0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4182 -0.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7514 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2644 -2.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5976 -3.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1106 -3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2904 -3.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9572 -2.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1370 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8038 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2908 -1.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9576 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4446 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1114 0.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5984 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2651 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7521 2.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 1 24 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 ring24\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring24\n\n$$$$\nring23\n Mrv15c7 12111511552D \n\n 23 23 0 0 0 0 999 V2000\n 3.7198 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3672 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0536 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1950 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7373 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1029 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6452 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0108 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5531 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9187 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4610 -3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6377 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2721 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4489 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0833 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5409 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1753 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6330 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2674 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7251 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3595 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8172 2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 1 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 ring23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring23\n\n$$$$\nring22\n Mrv15c7 12111511552D \n\n 22 22 0 0 0 0 999 V2000\n 3.2151 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6850 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8595 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3897 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7421 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2722 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6246 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1548 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0373 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2151 -2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7453 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5707 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0405 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6882 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1580 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8056 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2755 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3929 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 1 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 ring22\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring22\n\n$$$$\nring20\n Mrv15c7 12111511552D \n\n 20 20 0 0 0 0 999 V2000\n 2.8579 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3743 2.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1897 2.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4887 1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9723 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2712 0.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7548 -0.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0538 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5374 -1.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8364 -2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3199 -3.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5045 -2.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2056 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3902 -2.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0912 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6076 -0.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3086 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8251 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5261 1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0425 2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 1 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 ring20\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring20\n\n$$$$\nCO2i-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2i-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrO2C\nM END\n> \nCO2i-Pr\n\n> \ni-PrO2C\n\n$$$$\nring21\n Mrv15c7 12111511552D \n\n 21 21 0 0 0 0 999 V2000\n 3.3596 2.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9899 2.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6909 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4939 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8853 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4504 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8400 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4050 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7947 -1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3597 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5351 -2.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1002 -3.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2756 -3.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8860 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3209 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9313 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3662 -0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9766 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4115 0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0219 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4569 2.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 1 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 ring21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring21\n\n$$$$\nDPPA\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 2.3645 0.1914 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.5230 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 4 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 DPPA\nM SDS EXP 1 1\nM END\n> \nDPPA\n\n$$$$\nCOt-Bu\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COt-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuCO\nM END\n> \nCOt-Bu\n\n> \nt-BuCO\n\n$$$$\nc-C4H7\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 c-C4H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C4H7\n\n$$$$\n3Py\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 3Py\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \n3Py\n\n$$$$\nNHneoAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHneoAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmNH\nM END\n> \nNHneoAm\n\n> \nneoAmNH\n\n$$$$\nCOOi-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOi-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmOOC\nM END\n> \nCOOi-Am\n\n> \ni-AmOOC\n\n$$$$\nC11H23\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 C11H23\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H23C11\nM END\n> \nC11H23\n\n> \nH23C11\n\n$$$$\nADPsico\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADPsico\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADPsico\n\n$$$$\nring19\n Mrv15c7 12111511552D \n\n 19 19 0 0 0 0 999 V2000\n 2.9988 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3335 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4327 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9574 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3036 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8283 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1745 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6992 -2.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8776 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5313 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7097 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3634 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8388 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4925 0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9679 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6216 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0970 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 1 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 ring19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring19\n\n$$$$\nring16\n Mrv15c7 12111511552D \n\n 16 16 0 0 0 0 999 V2000\n 2.1434 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7183 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5182 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7432 1.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1683 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3932 -0.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8183 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0433 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4684 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6685 -2.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4435 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6436 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4187 -0.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9936 0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7686 1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3435 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 1 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 ring16\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring16\n\n$$$$\nring15\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.2742 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9604 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6081 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3222 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6197 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1086 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4140 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9030 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0866 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7812 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9648 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6594 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1704 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8650 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3760 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 1 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 ring15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring15\n\n$$$$\nring18\n Mrv15c7 12111511552D \n\n 18 18 0 0 0 0 999 V2000\n 2.5006 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9924 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 2.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1398 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6480 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9758 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4841 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8119 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3202 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5006 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0089 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 -2.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8615 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3533 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0255 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5172 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1894 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6811 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 1 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 ring18\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring18\n\n$$$$\nring17\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 2.6371 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2708 2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9690 1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7669 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1531 0.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7137 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0987 -1.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 -1.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8348 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3954 -2.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5710 -2.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1860 -1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6255 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2405 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6799 0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2949 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7343 1.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 1 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 ring17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring17\n\n$$$$\nC18H37\n Mrv15c7 12111511552D \n\n 18 17 0 0 0 0 999 V2000\n 7.2336 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 C18H37\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H37C18\nM END\n> \nC18H37\n\n> \nH37C18\n\n$$$$\nring12\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ring12\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring12\n\n$$$$\nring11\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.5424 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2919 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8514 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4477 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6078 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0015 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2138 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0324 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2447 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0633 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6696 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 1 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 ring11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring11\n\n$$$$\nring14\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.7862 0.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3263 1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4064 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8664 -0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1364 -0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5963 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7862 -1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2461 -1.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 -1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1659 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7060 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4360 0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9760 1.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 1 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 ring14\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring14\n\n$$$$\ndT\n Mrv15c7 12111511552D \n\n 20 21 0 0 1 0 999 V2000\n 2.1113 -0.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5834 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8687 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3408 -2.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6260 -3.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4200 -3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4520 -4.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1378 -4.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0834 -5.4271 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7692 -5.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3434 -5.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6779 -4.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4536 -5.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6539 -5.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1674 -3.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5278 -2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2426 -1.4082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7704 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4852 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 5 4 1 1 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 7 12 1 0 0 0 0\n 12 13 1 1 0 0 0\n 13 14 1 0 0 0 0\n 12 15 1 0 0 0 0\n 5 15 1 0 0 0 0\n 4 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 16 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 2 19 1 0 0 0 0\n 19 20 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 dT\nM SAP 1 2 14 0 1 9 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndT\n\n$$$$\nring13\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 1.9097 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2423 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0331 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4121 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9665 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1424 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6968 -1.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8727 -1.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4942 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9398 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5613 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0069 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 1 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 ring13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring13\n\n$$$$\nring10\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2391 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7792 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5091 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6990 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6188 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0787 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3488 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1589 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ring10\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring10\n\n$$$$\nCOOi-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOi-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-BuOOC\nM END\n> \nCOOi-Bu\n\n> \ni-BuOOC\n\n$$$$\nBDAltro\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDAltro\n\n$$$$\nCO2neoAm\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2neoAm\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neoAmO2C\nM END\n> \nCO2neoAm\n\n> \nneoAmO2C\n\n$$$$\nNaCl\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NaCl\nM SDS EXP 1 1\nM END\n> \nNaCl\n\n$$$$\nNHBoc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NHBoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BocNH\nM END\n> \nNHBoc\n\n> \nBocNH\n\n$$$$\ndG\n Mrv15c7 12111511552D \n\n 22 24 0 0 1 0 999 V2000\n 3.2237 -1.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4072 -1.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1011 -1.9443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2846 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7741 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0320 -2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8260 -2.7481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1112 -3.5222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.9051 -3.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9371 -4.5709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.6229 -5.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5686 -5.8528 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2543 -6.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8285 -6.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1630 -4.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.9387 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1390 -5.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6525 -4.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0802 -0.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5697 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8967 -0.5301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 4 8 1 0 0 0 0\n 9 8 1 1 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 1 0 0 0\n 17 18 1 0 0 0 0\n 16 19 1 0 0 0 0\n 9 19 1 0 0 0 0\n 5 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 20 22 1 0 0 0 0\n 2 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 dG\nM SAP 1 2 18 0 1 13 0 2\nM SCL 1 DNA\nM SDS EXP 1 1\nM END\n> \ndG\n\n$$$$\nPMB\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 PMB\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPMB\n\n$$$$\nMMTr\n Mrv15c7 12111511552D \n\n 21 23 0 0 0 0 999 V2000\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 MMTr\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMMTr\n\n$$$$\nDTalos\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDTalos\n\n$$$$\nHOAt\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HOAt\nM SDS EXP 1 1\nM END\n> \nHOAt\n\n$$$$\nCO2sBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2sBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuO2C\nM END\n> \nCO2sBu\n\n> \nsBuO2C\n\n$$$$\nPMP\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PMP\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nPMP\n\n$$$$\np-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 p-Tol\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \np-Tol\n\n$$$$\nBDRibop\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDRibop\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDRibop\n\n$$$$\nSn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Sn-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuS\nM END\n> \nSn-Bu\n\n> \nn-BuS\n\n$$$$\nSO2NH2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SO2NH2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NH2SO2\nM END\n> \nSO2NH2\n\n> \nNH2SO2\n\n$$$$\nLys\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.0446 1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Lys\nM SAP 1 3 7 0 Al 8 0 Br 1 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nHOBt\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.8838 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 -0.0305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 2 10 1 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HOBt\nM SDS EXP 1 1\nM END\n> \nHOBt\n\n$$$$\nBDRibof\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 BDRibof\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDRibof\n\n$$$$\nOiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmO\nM END\n> \nOiAm\n\n> \niAmO\n\n$$$$\ncHex\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 cHex\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ncHex\n\n$$$$\nn-C6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 n-C6H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C6H13\n\n$$$$\nC14H29\n Mrv15c7 12111511552D \n\n 14 13 0 0 0 0 999 V2000\n 4.7586 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4730 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9020 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.6164 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3309 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0454 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.7599 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4743 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1888 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9033 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.6177 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.3322 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.0467 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 C14H29\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H29C14\nM END\n> \nC14H29\n\n> \nH29C14\n\n$$$$\ns-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 s-Bu\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \ns-Bu\n\n$$$$\nMDIPS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 MDIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nMDIPS\n\n$$$$\nTBS\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TBS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTBS\n\n$$$$\nTBT\n Mrv15c7 12111511552D \n\n 33 33 0 0 0 0 999 V2000\n 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0164 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8414 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8414 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0164 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9684 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3184 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2704 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4454 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 1 0 0 0 0\n 8 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\n 22 25 1 0 0 0 0\n 21 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 26 28 1 0 0 0 0\n 26 29 1 0 0 0 0\n 5 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 1 0 0 0 0\n 30 33 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 3 31 32 33\nM SMT 1 TBT\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTBT\n\n$$$$\nDNBZ\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 1.4289 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 8 11 2 0 0 0 0\n 4 11 1 0 0 0 0\n 6 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 12 14 2 0 0 0 0\nM CHG 4 1 -1 2 1 12 1 13 -1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DNBZ\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDNBZ\n\n$$$$\ntrans-Cinnamyl\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 trans-Cinnamyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ntrans-Cinnamyl\n\n$$$$\nc-C23H45\n Mrv15c7 12111511552D \n\n 23 23 0 0 0 0 999 V2000\n 3.7198 2.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3672 3.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0536 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8304 2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1950 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7373 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1029 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6452 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0108 -1.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5531 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9187 -2.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4610 -3.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6377 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2721 -2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4489 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0833 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5409 -1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1753 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6330 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2674 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7251 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3595 2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8172 2.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 1 0 0 0 0\n 1 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 c-C23H45\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C23H45\n\n$$$$\nPO3H\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 1 1 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO3P\nM END\n> \nPO3H\n\n> \nHO3P\n\n$$$$\nH2PO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 H2PO4\nM SDS EXP 1 1\nM END\n> \nH2PO4\n\n$$$$\nOxyma\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Oxyma\nM SDS EXP 1 1\nM END\n> \nOxyma\n\n$$$$\nSn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sn-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmS\nM END\n> \nSn-Am\n\n> \nn-AmS\n\n$$$$\nDEAD\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 2.0625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DEAD\nM SDS EXP 1 1\nM END\n> \nDEAD\n\n$$$$\nMes\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Mes\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMes\n\n$$$$\nDEAE\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 DEAE\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDEAE\n\n$$$$\nMet\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Met\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nNEt2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NEt2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Et2N\nM END\n> \nNEt2\n\n> \nEt2N\n\n$$$$\nNEt3\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NEt3\nM SDS EXP 1 1\nM MJS SAT 1 Et3N\nM END\n> \nNEt3\n\n> \nEt3N\n\n$$$$\nB2H6\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 B 0 0 0 0 0 4 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 B 0 0 0 0 0 4 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 B2H6\nM SDS EXP 1 1\nM END\n> \nB2H6\n\n$$$$\nPyrim\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Pyrim\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPyrim\n\n$$$$\nMeb\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Meb\nM SDS EXP 1 1\nM END\n> \nMeb\n\n$$$$\nm-C6H4\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 m-C6H4\nM SAP 1 2 1 0 1 3 0 2\nM SDS EXP 1 1\nM END\n> \nm-C6H4\n\n$$$$\nneo-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neo-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneo-Am\n\n$$$$\no-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 o-Tolyl\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \no-Tolyl\n\n$$$$\nTDS\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 TDS\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTDS\n\n$$$$\nScm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Scm\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nScm\n\n$$$$\nDmab\n Mrv15c7 12111511552D \n\n 23 24 0 0 0 0 999 V2000\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2494 0.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 7 13 1 0 0 0 0\n 5 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 15 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 18 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 14 22 1 0 0 0 0\n 22 23 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 Dmab\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nDmab\n\n$$$$\nSiAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SiAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iAmS\nM END\n> \nSiAm\n\n> \niAmS\n\n$$$$\n5-TAMRA\n Mrv15c7 12111511552D \n\n 31 34 0 0 0 0 999 V2000\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0573 -0.5701 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 6 17 1 0 0 0 0\n 14 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 18 20 1 0 0 0 0\n 10 21 1 0 0 0 0\n 21 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 23 24 2 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 2 0 0 0 0\n 24 27 1 0 0 0 0\n 27 28 2 0 0 0 0\n 21 28 1 0 0 0 0\n 22 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 29 31 2 0 0 0 0\nM CHG 2 18 1 30 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30\nM SAL 1 1 31\nM SMT 1 5-TAMRA\nM SAP 1 1 25 0 1\nM SDS EXP 1 1\nM END\n> \n5-TAMRA\n\n$$$$\nTEA\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TEA\nM SDS EXP 1 1\nM END\n> \nTEA\n\n$$$$\nStAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 StAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmS\nM END\n> \nStAm\n\n> \ntAmS\n\n$$$$\nADGalac\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADGalac\n\n$$$$\nCCl4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CCl4\nM SDS EXP 1 1\nM END\n> \nCCl4\n\n$$$$\nStBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 StBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuS\nM END\n> \nStBu\n\n> \ntBuS\n\n$$$$\nSar\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Sar\nM SAP 1 2 2 0 Al 4 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nCCl3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CCl3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Cl3C\nM END\n> \nCCl3\n\n> \nCl3C\n\n$$$$\nNosyl\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Nosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nNosyl\n\n$$$$\nNIS\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NIS\nM SDS EXP 1 1\nM END\n> \nNIS\n\n$$$$\nBDSorbo\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDSorbo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDSorbo\n\n$$$$\nNHZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHZ\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 ZNH\nM END\n> \nNHZ\n\n> \nZNH\n\n$$$$\nC2H5\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 C2H5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H5C2\nM END\n> \nC2H5\n\n> \nH5C2\n\n$$$$\nFpmp\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 9 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 Fpmp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nFpmp\n\n$$$$\nTEMPO\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.2448 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1842 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2822 -0.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8125 0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\nM RAD 1 11 2\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 TEMPO\nM SDS EXP 1 1\nM END\n> \nTEMPO\n\n$$$$\nCOOi-Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 COOi-Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-PrOOC\nM END\n> \nCOOi-Pr\n\n> \ni-PrOOC\n\n$$$$\nPCC\n Mrv15c7 12111511552D \n\n 11 10 0 0 0 0 999 V2000\n 0.0000 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cr 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4252 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1397 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1397 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4252 -0.8250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 2.7107 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7107 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM CHG 2 1 -1 9 1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PCC\nM SDS EXP 1 1\nM END\n> \nPCC\n\n$$$$\nADSorbo\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 6 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADSorbo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADSorbo\n\n$$$$\nHCl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 HCl\nM SDS EXP 1 1\nM END\n> \nHCl\n\n$$$$\nNBS\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0198 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NBS\nM SDS EXP 1 1\nM END\n> \nNBS\n\n$$$$\nEthyl\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Ethyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nEthyl\n\n$$$$\nBDManno\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDManno\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDManno\n\n$$$$\nPipoc\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Pipoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nPipoc\n\n$$$$\nAllyl\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 Allyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nAllyl\n\n$$$$\nNCO\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NCO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 OCN\nM END\n> \nNCO\n\n> \nOCN\n\n$$$$\nMal\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Mal\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nMal\n\n$$$$\nNCS\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NCS\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 SCN\nM END\n> \nNCS\n\n> \nSCN\n\n$$$$\nDLyxos\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DLyxos\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDLyxos\n\n$$$$\nDDQ\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 3 0 0 0 0\n 7 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 3 0 0 0 0\n 10 13 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 DDQ\nM SDS EXP 1 1\nM END\n> \nDDQ\n\n$$$$\nTBMPS\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8414 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0164 3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 3 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 TBMPS\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nTBMPS\n\n$$$$\nCbz\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Cbz\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nCbz\n\n$$$$\nDCC\n Mrv15c7 12111511552D \n\n 15 16 0 0 0 0 999 V2000\n 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 10 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 DCC\nM SDS EXP 1 1\nM END\n> \nDCC\n\n$$$$\nTrityl\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Trityl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTrityl\n\n$$$$\nDCE\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 DCE\nM SDS EXP 1 1\nM END\n> \nDCE\n\n$$$$\nMbs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Mbs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nMbs\n\n$$$$\n2Pip\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 2Pip\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \n2Pip\n\n$$$$\nDCB\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DCB\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDCB\n\n$$$$\nOneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Oneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmO\nM END\n> \nOneo-Am\n\n> \nneo-AmO\n\n$$$$\nDCM\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 DCM\nM SDS EXP 1 1\nM END\n> \nDCM\n\n$$$$\nc-C19H37\n Mrv15c7 12111511552D \n\n 19 19 0 0 0 0 999 V2000\n 2.9988 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6592 2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3335 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0898 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4327 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9574 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3036 -0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8283 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1745 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6992 -2.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8776 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5313 -2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7097 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3634 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8388 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4925 0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9679 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6216 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0970 2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 1 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 c-C19H37\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C19H37\n\n$$$$\nMbh\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 11 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 8 15 1 0 0 0 0\n 6 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 3 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Mbh\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nMbh\n\n$$$$\nSt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 St-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmS\nM END\n> \nSt-Am\n\n> \nt-AmS\n\n$$$$\nDIdose\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DIdose\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDIdose\n\n$$$$\nDThreo\n Mrv15c7 12111511552D \n\n 8 7 0 0 1 0 999 V2000\n -0.1914 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.9520 1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DThreo\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDThreo\n\n$$$$\nDAllos\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDAllos\n\n$$$$\nDAltro\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DAltro\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDAltro\n\n$$$$\nPO3H2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3H2\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H2PO3\nM END\n> \nPO3H2\n\n> \nH2PO3\n\n$$$$\nC22H45\n Mrv15c7 12111511552D \n\n 22 21 0 0 0 0 999 V2000\n 9.7086 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9980 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 C22H45\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H45C22\nM END\n> \nC22H45\n\n> \nH45C22\n\n$$$$\nPdCl2\n Mrv15c7 12111511552D \n\n 3 0 0 0 0 0 999 V2000\n 0.4125 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n 2.7696 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.0000 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0\nM CHG 3 1 -1 2 -1 3 2\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 PdCl2\nM SDS EXP 1 1\nM END\n> \nPdCl2\n\n$$$$\nADAarabif\n Mrv15c7 12111511552D \n\n 10 10 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 2 9 1 0 0 0 0\n 9 10 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 ADAarabif\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAarabif\n\n$$$$\nPBr3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PBr3\nM SDS EXP 1 1\nM END\n> \nPBr3\n\n$$$$\nSt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 St-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuS\nM END\n> \nSt-Bu\n\n> \nt-BuS\n\n$$$$\nSMCC\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 5.1309 -2.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9716 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1909 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0316 -0.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6296 -0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8489 -0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2275 -0.9424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4233 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0991 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5427 -2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3014 -1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0095 -2.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7889 -1.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5696 -1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 6 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 3 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 SMCC\nM SAP 1 2 11 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nSMCC\n\n$$$$\nNHi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHi-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmNH\nM END\n> \nNHi-Am\n\n> \ni-AmNH\n\n$$$$\nCO2Bn\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 CO2Bn\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BnO2C\nM END\n> \nCO2Bn\n\n> \nBnO2C\n\n$$$$\nTfa\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Tfa\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTfa\n\n$$$$\nOt-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Ot-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuO\nM END\n> \nOt-Bu\n\n> \nt-BuO\n\n$$$$\nPMBM\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PMBM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPMBM\n\n$$$$\nCO2Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuO2C\nM END\n> \nCO2Bu\n\n> \nBuO2C\n\n$$$$\nOTBS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.8250 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTBS\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TBSO\nM END\n> \nOTBS\n\n> \nTBSO\n\n$$$$\nSneo-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Sneo-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 neo-AmS\nM END\n> \nSneo-Am\n\n> \nneo-AmS\n\n$$$$\nTBDPS\n Mrv15c7 12111511552D \n\n 17 18 0 0 0 0 999 V2000\n 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 5 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 TBDPS\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTBDPS\n\n$$$$\nMnO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 Mn 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 MnO2\nM SDS EXP 1 1\nM END\n> \nMnO2\n\n$$$$\nNpeoc\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n -2.1434 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 4 14 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Npeoc\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \nNpeoc\n\n$$$$\nHPO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 2 3 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 HPO4\nM SDS EXP 1 1\nM END\n> \nHPO4\n\n$$$$\nDmb\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 8 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Dmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nDmb\n\n$$$$\nPhenyl\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Phenyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nPhenyl\n\n$$$$\n2-4DCZ\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 2 0 0 0 0\n 2 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 2-4DCZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n2-4DCZ\n\n$$$$\nCO2Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmO2C\nM END\n> \nCO2Am\n\n> \nAmO2C\n\n$$$$\nOt-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Ot-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmO\nM END\n> \nOt-Am\n\n> \nt-AmO\n\n$$$$\nBDFruct\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 1.9268 1.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.0157 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2857 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 2 1 1 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 6 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 3 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDFruct\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDFruct\n\n$$$$\ncyclooctyl\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 cyclooctyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclooctyl\n\n$$$$\nNBu4\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n -1.4289 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 1.4289 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 5 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM CHG 1 5 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 NBu4\nM SDS EXP 1 1\nM END\n> \nNBu4\n\n$$$$\nC17H35\n Mrv15c7 12111511552D \n\n 17 16 0 0 0 0 999 V2000\n 7.9480 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.3770 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.0914 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8059 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5204 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2349 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9493 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6638 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.3783 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.0927 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8072 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5217 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2362 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9506 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6651 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.3796 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 C17H35\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H35C17\nM END\n> \nC17H35\n\n> \nH35C17\n\n$$$$\nHNO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 HNO3\nM SDS EXP 1 1\nM END\n> \nHNO3\n\n$$$$\nNO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NO3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O3N\nM END\n> \nNO3\n\n> \nO3N\n\n$$$$\n4ClZ\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 2 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 4ClZ\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n4ClZ\n\n$$$$\nHNO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 HNO2\nM SDS EXP 1 1\nM END\n> \nHNO2\n\n$$$$\nNO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.9520 -1.1270 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NO2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O2N\nM END\n> \nNO2\n\n> \nO2N\n\n$$$$\nNitroso\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Nitroso\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nNitroso\n\n$$$$\niPr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 iPr\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \niPr\n\n$$$$\nBenzoyl\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Benzoyl\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nBenzoyl\n\n$$$$\nMob\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 3 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Mob\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nMob\n\n$$$$\nSAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 SAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 AmS\nM END\n> \nSAm\n\n> \nAmS\n\n$$$$\nCDI\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n 1.8185 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5330 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5330 -0.6552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2004 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9455 -1.9248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1205 -1.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8655 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2475 0.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3337 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1407 1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5532 0.8598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0011 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 4 0 0 0 0\n 4 5 4 0 0 0 0\n 5 6 4 0 0 0 0\n 6 7 4 0 0 0 0\n 3 7 4 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 4 0 0 0 0\n 9 10 4 0 0 0 0\n 10 11 4 0 0 0 0\n 11 12 4 0 0 0 0\n 8 12 4 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 CDI\nM SDS EXP 1 1\nM END\n> \nCDI\n\n$$$$\ncyclopentyl\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 cyclopentyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclopentyl\n\n$$$$\nC15H31\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.5697 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.2842 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.9987 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.7131 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 C15H31\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H31C15\nM END\n> \nC15H31\n\n> \nH31C15\n\n$$$$\nOtBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 OtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuO\nM END\n> \nOtBu\n\n> \ntBuO\n\n$$$$\nMoz\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Moz\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMoz\n\n$$$$\nThr\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.4750 -1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 6 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Thr\nM SAP 1 3 5 0 Al 6 0 Br 3 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nc-C13H25\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 1.9097 0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5480 1.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2423 1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0331 0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4121 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9665 -1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1424 -1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6968 -1.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8727 -1.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4942 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9398 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5613 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0069 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 1 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 c-C13H25\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C13H25\n\n$$$$\nThy\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Thy\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nThy\n\n$$$$\nCF3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CF3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 F3C\nM END\n> \nCF3\n\n> \nF3C\n\n$$$$\nNvoc\n Mrv15c7 12111511552D \n\n 17 17 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 9 14 2 0 0 0 0\n 3 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 15 17 2 0 0 0 0\nM CHG 2 15 1 16 -1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Nvoc\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nNvoc\n\n$$$$\nSCN\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.6500 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 3 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SCN\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NCS\nM END\n> \nSCN\n\n> \nNCS\n\n$$$$\nCONHMe\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CONHMe\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeNHCO\nM END\n> \nCONHMe\n\n> \nMeNHCO\n\n$$$$\no-Tol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 o-Tol\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \no-Tol\n\n$$$$\nBrosyl\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Brosyl\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nBrosyl\n\n$$$$\nHBTU\n Mrv15c7 12111511552D \n\n 24 24 0 0 0 0 999 V2000\n 0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -0.0000 0.0000 P 0 5 0 0 0 0 0 0 0 0 0 0\n -0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4125 0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4792 1.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7342 0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1821 0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5411 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3112 -0.6971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7961 -1.3645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 4.5411 -2.1492 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 5.5807 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5807 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0096 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2952 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0932 1.3680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 5.9002 1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8382 2.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 2 0 0 0 0\n 16 21 1 0 0 0 0\n 11 22 2 0 0 0 0\n 22 23 1 0 0 0 0\n 22 24 1 0 0 0 0\nM CHG 4 2 -1 14 1 15 -1 22 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 HBTU\nM SDS EXP 1 1\nM END\n> \nHBTU\n\n$$$$\nOtAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 OtAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmO\nM END\n> \nOtAm\n\n> \ntAmO\n\n$$$$\nNHTs\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHTs\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TsNH\nM END\n> \nNHTs\n\n> \nTsNH\n\n$$$$\nDMIPS\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 DMIPS\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nDMIPS\n\n$$$$\nBic\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 4.7812 4.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0668 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 1.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 8 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 5 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Bic\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBic\n\n$$$$\nOPMB\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 3 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 OPMB\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PMBO\nM END\n> \nOPMB\n\n> \nPMBO\n\n$$$$\nSnBu3\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n 5.3329 5.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 3.0789 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 SnBu3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Bu3Sn\nM END\n> \nSnBu3\n\n> \nBu3Sn\n\n$$$$\nTeoc\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Teoc\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTeoc\n\n$$$$\n2OHPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 2OHPh\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \n2OHPh\n\n$$$$\nCOOt-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOt-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuOOC\nM END\n> \nCOOt-Bu\n\n> \nt-BuOOC\n\n$$$$\nSBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BuS\nM END\n> \nSBu\n\n> \nBuS\n\n$$$$\n2-6DCZ\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 2-6DCZ\nM SAP 1 1 11 0 1\nM SDS EXP 1 1\nM END\n> \n2-6DCZ\n\n$$$$\nKNO3\n Mrv15c7 12111511552D \n\n 5 3 0 0 0 0 999 V2000\n 1.6500 1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 2 0 0 0 0\nM CHG 4 1 1 2 -1 3 1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 KNO3\nM SDS EXP 1 1\nM END\n> \nKNO3\n\n$$$$\nKNO2\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 KNO2\nM SDS EXP 1 1\nM END\n> \nKNO2\n\n$$$$\nDip\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dip\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nDip\n\n$$$$\nn-Pr\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 n-Pr\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Pr\n\n$$$$\nCO2Et\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CO2Et\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtO2C\nM END\n> \nCO2Et\n\n> \nEtO2C\n\n$$$$\nPhOMe\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PhOMe\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeOPh\nM END\n> \nPhOMe\n\n> \nMeOPh\n\n$$$$\ncyclopropyl\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 cyclopropyl\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ncyclopropyl\n\n$$$$\nSEM\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n -0.6039 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 5 7 1 0 0 0 0\n 5 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 SEM\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nSEM\n\n$$$$\nNHOH\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NHOH\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HONH\nM END\n> \nNHOH\n\n> \nHONH\n\n$$$$\nADEryth\n Mrv15c7 12111511552D \n\n 8 8 0 0 1 0 999 V2000\n 0.5678 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ADEryth\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADEryth\n\n$$$$\nc-C15H29\n Mrv15c7 12111511552D \n\n 15 15 0 0 0 0 999 V2000\n 2.2742 1.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9604 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6081 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3222 0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6197 -0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1086 -0.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4140 -1.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9030 -2.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0866 -2.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7812 -1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9648 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6594 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1704 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8650 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3760 1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 1 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 c-C15H29\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C15H29\n\n$$$$\nTBDMS\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 4 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 TBDMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nTBDMS\n\n$$$$\nUMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.3819 -1.7224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1665 -1.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 -2.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.3020 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 -1.7224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7376 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9091 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6937 -0.4056 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -2.4784 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.9487 -1.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4388 0.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6119 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4324 -3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9173 -3.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5817 -4.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0667 -5.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 -4.5956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 -3.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4559 -4.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 2 0 0 0 0\n 5 14 1 6 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 17 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 14 20 1 0 0 0 0\n 20 21 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 UMP\nM SDS EXP 1 1\nM END\n> \nUMP\n\n$$$$\nDbpoc\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 -1.0164 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 -1.8414 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Dbpoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nDbpoc\n\n$$$$\nADAllos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADAllos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADAllos\n\n$$$$\nPO(OEt)2\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 PO(OEt)2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (EtO)2OP\nM END\n> \nPO(OEt)2\n\n> \n(EtO)2OP\n\n$$$$\nTmob\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 5 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 3 12 1 0 0 0 0\n 12 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Tmob\nM SAP 1 1 13 0 1\nM SDS EXP 1 1\nM END\n> \nTmob\n\n$$$$\nONO2\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM CHG 2 2 1 3 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 ONO2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NO2O\nM END\n> \nONO2\n\n> \nNO2O\n\n$$$$\nSPDP\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.0000 -0.5401 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7796 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4032 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1827 -0.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8064 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SPDP\nM SAP 1 2 1 0 1 4 0 2\nM SDS EXP 1 1\nM END\n> \nSPDP\n\n$$$$\nn-C3H7\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 n-C3H7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-C3H7\n\n$$$$\nEt4N\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM CHG 1 3 1\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Et4N\nM SDS EXP 1 1\nM END\n> \nEt4N\n\n$$$$\nSES\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 2.1434 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 7 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 SES\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nSES\n\n$$$$\nC21H43\n Mrv15c7 12111511552D \n\n 21 20 0 0 0 0 999 V2000\n 10.4230 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.8520 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.5664 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.2809 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.9954 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.7099 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.4243 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.1388 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.8533 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.5677 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.2822 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.9967 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.7112 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.4256 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.1401 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8546 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5690 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.2835 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.9980 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.7124 6.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 C21H43\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H43C21\nM END\n> \nC21H43\n\n> \nH43C21\n\n$$$$\nCHL\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CHL\nM SDS EXP 1 1\nM END\n> \nCHL\n\n$$$$\nPOI3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POI3\nM SDS EXP 1 1\nM END\n> \nPOI3\n\n$$$$\nNMP\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5678 1.1143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.8843 0.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NMP\nM SDS EXP 1 1\nM END\n> \nNMP\n\n$$$$\nCHO\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 CHO\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 OHC\nM END\n> \nCHO\n\n> \nOHC\n\n$$$$\nDArabi\n Mrv15c7 12111511552D \n\n 10 9 0 0 1 0 999 V2000\n 1.7605 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 1 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DArabi\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDArabi\n\n$$$$\nTmb\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 2 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tmb\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTmb\n\n$$$$\nNHCbz\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHCbz\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 CbzNH\nM END\n> \nNHCbz\n\n> \nCbzNH\n\n$$$$\nCOOt-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOt-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmOOC\nM END\n> \nCOOt-Am\n\n> \nt-AmOOC\n\n$$$$\nPPh3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 PPh3\nM SDS EXP 1 1\nM MJS SAT 1 Ph3P\nM END\n> \nPPh3\n\n> \nPh3P\n\n$$$$\nPPh2\n Mrv15c7 12111511552D \n\n 13 14 0 0 0 0 999 V2000\n 2.1434 -0.4125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 1 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 PPh2\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph2P\nM END\n> \nPPh2\n\n> \nPh2P\n\n$$$$\nSEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SEt\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtS\nM END\n> \nSEt\n\n> \nEtS\n\n$$$$\nADTalos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADTalos\n\n$$$$\nMthp\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Mthp\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nMthp\n\n$$$$\nNHPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 NHPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhNH\nM END\n> \nNHPh\n\n> \nPhNH\n\n$$$$\nNHPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrNH\nM END\n> \nNHPr\n\n> \nPrNH\n\n$$$$\nOn-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 On-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-AmO\nM END\n> \nOn-Am\n\n> \nn-AmO\n\n$$$$\nAcOH\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 AcOH\nM SDS EXP 1 1\nM END\n> \nAcOH\n\n$$$$\ntHexyl\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 tHexyl\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \ntHexyl\n\n$$$$\nC19H39\n Mrv15c7 12111511552D \n\n 19 18 0 0 0 0 999 V2000\n 9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4737 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1881 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.6171 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.3315 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 C19H39\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H39C19\nM END\n> \nC19H39\n\n> \nH39C19\n\n$$$$\nc-C22H43\n Mrv15c7 12111511552D \n\n 22 22 0 0 0 0 999 V2000\n 3.2151 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6850 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8595 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3897 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7421 0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2722 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6246 -0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1548 -1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5072 -2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0373 -2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2151 -2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.7453 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 -3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5707 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0405 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6882 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1580 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8056 0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2755 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9231 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3929 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 1 22 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 7 16 17 18 19 20 21 22\nM SMT 1 c-C22H43\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C22H43\n\n$$$$\nDMPS\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 DMPS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDMPS\n\n$$$$\nPOBr3\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 POBr3\nM SDS EXP 1 1\nM END\n> \nPOBr3\n\n$$$$\nPO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 3 1 -1 3 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 PO4\nM SDS EXP 1 1\nM END\n> \nPO4\n\n$$$$\nPO3\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\nM CHG 2 1 -1 4 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 PO3\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 O3P\nM END\n> \nPO3\n\n> \nO3P\n\n$$$$\nDMPM\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 3 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 DMPM\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMPM\n\n$$$$\nCO2s-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2s-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmO2C\nM END\n> \nCO2s-Am\n\n> \ns-AmO2C\n\n$$$$\nCOF\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 COF\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 FCO\nM END\n> \nCOF\n\n> \nFCO\n\n$$$$\ni-C5H11\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 i-C5H11\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \ni-C5H11\n\n$$$$\nBeoc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Beoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nBeoc\n\n$$$$\nDTBMS\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6039 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 7 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 DTBMS\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDTBMS\n\n$$$$\nPNB\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 7 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 4 11 1 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 PNB\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nPNB\n\n$$$$\nSiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrS\nM END\n> \nSiPr\n\n> \niPrS\n\n$$$$\nTol\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Tol\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nTol\n\n$$$$\nBmv\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 Bmv\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nBmv\n\n$$$$\n2-Abz\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 2-Abz\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \n2-Abz\n\n$$$$\nSPh\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SPh\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhS\nM END\n> \nSPh\n\n> \nPhS\n\n$$$$\nTos\n Mrv15c7 12111511552D \n\n 10 10 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Tos\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nTos\n\n$$$$\nSPy\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 SPy\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nSPy\n\n$$$$\nMts\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 2 0 0 0 0\n 2 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 10 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Mts\nM SAP 1 1 10 0 1\nM SDS EXP 1 1\nM END\n> \nMts\n\n$$$$\nSPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 SPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrS\nM END\n> \nSPr\n\n> \nPrS\n\n$$$$\nMtt\n Mrv15c7 12111511552D \n\n 20 22 0 0 0 0 999 V2000\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 9 14 1 0 0 0 0\n 8 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 Mtt\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMtt\n\n$$$$\nOn-Bu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 On-Bu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 n-BuO\nM END\n> \nOn-Bu\n\n> \nn-BuO\n\n$$$$\nMtr\n Mrv15c7 12111511552D \n\n 14 14 0 0 0 0 999 V2000\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 9 11 2 0 0 0 0\n 3 11 1 0 0 0 0\n 8 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 12 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Mtr\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nMtr\n\n$$$$\nBDTalos\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 6 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDTalos\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDTalos\n\n$$$$\nneoAm\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 neoAm\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nneoAm\n\n$$$$\nTpt\n Mrv15c7 12111511552D \n\n 20 24 0 0 0 0 999 V2000\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5664 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5664 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2809 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9954 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9954 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2809 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 1 14 1 0 0 0 0\n 12 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 5 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 15 20 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 5 16 17 18 19 20\nM SMT 1 Tpt\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nTpt\n\n$$$$\nPtBu3\n Mrv15c7 12111511552D \n\n 13 12 0 0 0 0 999 V2000\n -0.6039 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.3020 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2539 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 10 13 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 PtBu3\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nPtBu3\n\n$$$$\nP(OMe)2\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 P(OMe)2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (MeO)2P\nM END\n> \nP(OMe)2\n\n> \n(MeO)2P\n\n$$$$\nNHMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NHMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeNH\nM END\n> \nNHMe\n\n> \nMeNH\n\n$$$$\nGMP\n Mrv15c7 12111511552D \n\n 24 26 0 0 1 0 999 V2000\n 4.0668 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3523 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6378 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1387 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 2.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.0992 3.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0992 4.0549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.5683 4.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4820 5.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1495 5.8453 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n -1.8169 6.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6646 6.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.6344 5.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8838 4.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.1387 5.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3687 3.6424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.1937 3.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 2 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 12 9 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 6 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 17 20 2 0 0 0 0\n 14 21 1 0 0 0 0\n 21 22 1 1 0 0 0\n 21 23 1 0 0 0 0\n 12 23 1 0 0 0 0\n 23 24 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 9 16 17 18 19 20 21 22 23 24\nM SMT 1 GMP\nM SDS EXP 1 1\nM END\n> \nGMP\n\n$$$$\nNHiPr\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 NHiPr\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 iPrNH\nM END\n> \nNHiPr\n\n> \niPrNH\n\n$$$$\nn-Am\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 n-Am\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Am\n\n$$$$\nCONHEt\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 CONHEt\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtNHCO\nM END\n> \nCONHEt\n\n> \nEtNHCO\n\n$$$$\nNHtBu\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 NHtBu\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tBuNH\nM END\n> \nNHtBu\n\n> \ntBuNH\n\n$$$$\nCO2K\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2K\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 KO2C\nM END\n> \nCO2K\n\n> \nKO2C\n\n$$$$\nDGluco\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 1 0 0 0\n 9 11 1 0 0 0 0\n 11 12 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDGluco\n\n$$$$\nOTHP\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 OTHP\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 THPO\nM END\n> \nOTHP\n\n> \nTHPO\n\n$$$$\nCO2Me\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2Me\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeO2C\nM END\n> \nCO2Me\n\n> \nMeO2C\n\n$$$$\nCO2H\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CO2H\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 HO2C\nM END\n> \nCO2H\n\n> \nHO2C\n\n$$$$\nC9H19\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 C9H19\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H19C9\nM END\n> \nC9H19\n\n> \nH19C9\n\n$$$$\nc-C5H9\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 c-C5H9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C5H9\n\n$$$$\nn-Bu\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 n-Bu\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nn-Bu\n\n$$$$\nBpoc\n Mrv15c7 12111511552D \n\n 18 19 0 0 0 0 999 V2000\n -0.1105 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 2 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 10 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Bpoc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nBpoc\n\n$$$$\nCMP\n Mrv15c7 12111511552D \n\n 21 22 0 0 1 0 999 V2000\n 0.7145 6.7661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 5.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 5.5286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 4.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 4.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 4.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 4.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 5.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 3.4661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.3819 2.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1270 2.1965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.6119 1.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2763 0.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7613 0.1080 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2462 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0938 -0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4287 0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3020 2.1965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.1830 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0470 2.9812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7376 3.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 9 6 1 6 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 6 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 14 16 1 0 0 0 0\n 14 17 2 0 0 0 0\n 11 18 1 0 0 0 0\n 18 19 1 1 0 0 0\n 18 20 1 0 0 0 0\n 9 20 1 0 0 0 0\n 20 21 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 6 16 17 18 19 20 21\nM SMT 1 CMP\nM SDS EXP 1 1\nM END\n> \nCMP\n\n$$$$\nCO2s-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2s-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuO2C\nM END\n> \nCO2s-Bu\n\n> \ns-BuO2C\n\n$$$$\nAcAc\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 AcAc\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM END\n> \nAcAc\n\n$$$$\nHse\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.9500 1.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9500 1.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.2375 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5250 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1929 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6679 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3804 1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Hse\nM SAP 1 2 1 0 Al 6 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nQxc\n Mrv15c7 12111511552D \n\n 12 13 0 0 0 0 999 V2000\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 5 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 3 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Qxc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nQxc\n\n$$$$\nNHtAm\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 NHtAm\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 tAmNH\nM END\n> \nNHtAm\n\n> \ntAmNH\n\n$$$$\nC8H17\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.0461 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 C8H17\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H17C8\nM END\n> \nC8H17\n\n> \nH17C8\n\n$$$$\nCOOs-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 4 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 COOs-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-AmOOC\nM END\n> \nCOOs-Am\n\n> \ns-AmOOC\n\n$$$$\nCS2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 1 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 CS2\nM SDS EXP 1 1\nM END\n> \nCS2\n\n$$$$\nBr2\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 Br2\nM SDS EXP 1 1\nM END\n> \nBr2\n\n$$$$\nc-C11H21\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 1.5424 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2919 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8514 0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4477 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6078 -1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0015 -1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2138 -1.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.0324 -0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2447 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0633 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6696 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 1 11 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 c-C11H21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C11H21\n\n$$$$\nC10H21\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9993 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.7138 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 C10H21\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H21C10\nM END\n> \nC10H21\n\n> \nH21C10\n\n$$$$\nTrt\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 Trt\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM END\n> \nTrt\n\n$$$$\nCO2t-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 CO2t-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-BuO2C\nM END\n> \nCO2t-Bu\n\n> \nt-BuO2C\n\n$$$$\nDEIPS\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 DEIPS\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \nDEIPS\n\n$$$$\nAdoc\n Mrv15c7 12111511552D \n\n 13 15 0 0 0 0 999 V2000\n 0.1373 -3.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1373 -2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -2.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1163 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -1.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0368 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3012 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5657 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8517 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5873 -2.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 4 13 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 8 13 1 0 0 0 0\n 10 12 1 0 0 0 0\n 4 12 1 0 0 0 0\n 6 11 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Adoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAdoc\n\n$$$$\nTrp\n Mrv15c7 12111511552D \n\n 14 15 0 0 0 0 999 V2000\n -1.7571 0.3107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2054 0.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.3964 0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 -0.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6268 -0.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1446 -1.3661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6429 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6429 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3554 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0679 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0679 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3554 -1.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4625 1.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2661 1.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 7 12 1 0 0 0 0\n 2 13 1 0 0 0 0\n 13 14 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14\nM SMT 1 Trp\nM SAP 1 3 1 0 Al 13 0 Br 6 0 Cx\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nP(OEt)2\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 P(OEt)2\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (EtO)2P\nM END\n> \nP(OEt)2\n\n> \n(EtO)2P\n\n$$$$\nSi-Am\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 Si-Am\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 i-AmS\nM END\n> \nSi-Am\n\n> \ni-AmS\n\n$$$$\nTre\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 Tre\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nTre\n\n$$$$\nAmoc\n Mrv15c7 12111511552D \n\n 18 20 0 0 0 0 999 V2000\n 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 10 11 1 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 5 18 1 0 0 0 0\n 13 18 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 3 16 17 18\nM SMT 1 Amoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nAmoc\n\n$$$$\nDpp\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7158 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 2 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 2 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 11 16 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dpp\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDpp\n\n$$$$\nHFIP\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 -1.4289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 -1.1270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -0.3020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 1 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 HFIP\nM SDS EXP 1 1\nM END\n> \nHFIP\n\n$$$$\nDMTr\n Mrv15c7 12111511552D \n\n 23 25 0 0 0 0 999 V2000\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 6 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 10 15 1 0 0 0 0\n 9 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 19 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 16 23 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 8 16 17 18 19 20 21 22 23\nM SMT 1 DMTr\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM END\n> \nDMTr\n\n$$$$\nOTES\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 3 7 1 0 0 0 0\n 7 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OTES\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TESO\nM END\n> \nOTES\n\n> \nTESO\n\n$$$$\nBDGalac\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 6 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 6 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 BDGalac\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBDGalac\n\n$$$$\nCO2t-Am\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 3 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 CO2t-Am\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 t-AmO2C\nM END\n> \nCO2t-Am\n\n> \nt-AmO2C\n\n$$$$\nSLi\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SLi\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 LiS\nM END\n> \nSLi\n\n> \nLiS\n\n$$$$\nFmoc\n Mrv15c7 12111511552D \n\n 17 19 0 0 0 0 999 V2000\n 0.5050 -3.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2195 -1.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9339 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0925 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 6 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 5 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 12 17 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 2 16 17\nM SMT 1 Fmoc\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nFmoc\n\n$$$$\nCO2Na\n Mrv15c7 12111511552D \n\n 4 2 0 0 0 0 999 V2000\n 1.6500 -1.4289 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 CO2Na\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaO2C\nM END\n> \nCO2Na\n\n> \nNaO2C\n\n$$$$\n2-6Clb\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 2 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 2-6Clb\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \n2-6Clb\n\n$$$$\nCOOs-Bu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOs-Bu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 s-BuOOC\nM END\n> \nCOOs-Bu\n\n> \ns-BuOOC\n\n$$$$\nNHEt\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 NHEt\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 EtNH\nM END\n> \nNHEt\n\n> \nEtNH\n\n$$$$\nPEG4\n Mrv15c7 12111511552D \n\n 12 11 0 0 0 0 999 V2000\n 7.8700 -0.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.1349 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4430 -0.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.7079 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0160 -0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2809 -0.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5891 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8540 -0.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1621 -0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4270 -0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7351 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 PEG4\nM SAP 1 2 12 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nPEG4\n\n$$$$\n2-Naph\n Mrv15c7 12111511552D \n\n 10 11 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 2 0 0 0 0\n 3 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 1 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 2-Naph\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \n2-Naph\n\n$$$$\nMpc\n Mrv15c7 12111511552D \n\n 13 13 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 8 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 13 1 2 3 4 5 6 7 8 9 10 11 12 13\nM SMT 1 Mpc\nM SAP 1 1 12 0 1\nM SDS EXP 1 1\nM END\n> \nMpc\n\n$$$$\nPEG3\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0013 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 PEG3\nM SAP 1 2 9 0 1 1 0 2\nM SDS EXP 1 1\nM END\n> \nPEG3\n\n$$$$\nCO2Pr\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 CO2Pr\nM SAP 1 1 5 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PrO2C\nM END\n> \nCO2Pr\n\n> \nPrO2C\n\n$$$$\nc-C8H15\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 c-C8H15\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nc-C8H15\n\n$$$$\nPO(OMe)2\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 PO(OMe)2\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM MJS SAT 1 (MeO)2OP\nM END\n> \nPO(OMe)2\n\n> \n(MeO)2OP\n\n$$$$\nDoc\n Mrv15c7 12111511552D \n\n 10 9 0 0 0 0 999 V2000\n 2.6664 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 4 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 10 1 2 3 4 5 6 7 8 9 10\nM SMT 1 Doc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nDoc\n\n$$$$\nm-Tolyl\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 m-Tolyl\nM SAP 1 1 4 0 1\nM SDS EXP 1 1\nM END\n> \nm-Tolyl\n\n$$$$\nNHTos\n Mrv15c7 12111511552D \n\n 11 11 0 0 0 0 999 V2000\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1105 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 2 7 1 0 0 0 0\n 5 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 2 0 0 0 0\n 8 11 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 11 1 2 3 4 5 6 7 8 9 10 11\nM SMT 1 NHTos\nM SAP 1 1 9 0 1\nM SDS EXP 1 1\nM MJS SAT 1 TosNH\nM END\n> \nNHTos\n\n> \nTosNH\n\n$$$$\nSMe\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SMe\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 MeS\nM END\n> \nSMe\n\n> \nMeS\n\n$$$$\nDFruct\n Mrv15c7 12111511552D \n\n 12 11 0 0 1 0 999 V2000\n 1.0461 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7605 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 2.4750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1895 1.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 3.1895 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9039 1.4289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 3.9039 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6184 2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3329 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0474 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 6 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 1 0 0 0\n 5 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 2 0 0 0 0\n 9 11 1 0 0 0 0\n 11 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 DFruct\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM END\n> \nDFruct\n\n$$$$\nDns\n Mrv15c7 12111511552D \n\n 16 17 0 0 0 0 999 V2000\n -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -2.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 14 16 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 1 16\nM SMT 1 Dns\nM SAP 1 1 14 0 1\nM SDS EXP 1 1\nM END\n> \nDns\n\n$$$$\nring9\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 1.1333 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9086 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3211 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1778 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5458 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7208 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0888 -0.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0544 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3581 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 1 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 ring9\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring9\n\n$$$$\nSO2\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 SO2\nM SAP 1 2 2 0 1 2 0 2\nM SDS EXP 1 1\nM END\n> \nSO2\n\n$$$$\nBoc\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 1 3 1 0 0 0 0\n 1 4 1 0 0 0 0\n 1 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 Boc\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM END\n> \nBoc\n\n$$$$\nring8\n Mrv15c7 12111511552D \n\n 8 8 0 0 0 0 999 V2000\n 0.9959 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0738 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7581 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 -0.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0821 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2337 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 1 8 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 ring8\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring8\n\n$$$$\nH2O\n Mrv15c7 12111511552D \n\n 3 2 0 0 0 0 999 V2000\n 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 H2O\nM SDS EXP 1 1\nM END\n> \nH2O\n\n$$$$\nOrn\n Mrv15c7 12111511552D \n\n 8 7 0 0 0 0 999 V2000\n 1.7625 1.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1875 1.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.9054 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6179 1.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 4.6179 2.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3304 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.0482 1.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 6 0 0 0\n 5 7 1 0 0 0 0\n 7 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 Orn\nM SAP 1 2 6 0 Al 7 0 Br\nM SCL 1 AA\nM SDS EXP 1 1\nM END\n$$$$\nring5\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 ring5\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring5\n\n$$$$\nC6H13\n Mrv15c7 12111511552D \n\n 6 5 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 C6H13\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM MJS SAT 1 H13C6\nM END\n> \nC6H13\n\n> \nH13C6\n\n$$$$\nring4\n Mrv15c7 12111511552D \n\n 4 4 0 0 0 0 999 V2000\n 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1709 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 1 4 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 ring4\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring4\n\n$$$$\nFor\n Mrv15c7 12111511552D \n\n 2 1 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 For\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nFor\n\n$$$$\nring7\n Mrv15c7 12111511552D \n\n 7 7 0 0 0 0 999 V2000\n 0.8566 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5999 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7834 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2691 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4441 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0703 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1133 1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 1 7 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 ring7\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring7\n\n$$$$\nSO4\n Mrv15c7 12111511552D \n\n 5 4 0 0 0 0 999 V2000\n 0.8250 -0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.8250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 1.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 2 0 0 0 0\nM CHG 2 1 -1 3 -1\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 SO4\nM SDS EXP 1 1\nM END\n> \nSO4\n\n$$$$\nring6\n Mrv15c7 12111511552D \n\n 6 6 0 0 0 0 999 V2000\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 1 6 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 6 1 2 3 4 5 6\nM SMT 1 ring6\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring6\n\n$$$$\nDnp\n Mrv15c7 12111511552D \n\n 12 12 0 0 0 0 999 V2000\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 3 5 2 0 0 0 0\n 2 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 8 10 2 0 0 0 0\n 7 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 1 12 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 Dnp\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nDnp\n\n$$$$\nring3\n Mrv15c7 12111511552D \n\n 3 3 0 0 0 0 999 V2000\n 0.2382 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6507 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1743 0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 1 3 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 3 1 2 3\nM SMT 1 ring3\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nring3\n\n$$$$\nCOOsBu\n Mrv15c7 12111511552D \n\n 7 6 0 0 0 0 999 V2000\n -0.1914 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5230 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9520 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6664 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3809 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 3 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 7 1 2 3 4 5 6 7\nM SMT 1 COOsBu\nM SAP 1 1 6 0 1\nM SDS EXP 1 1\nM MJS SAT 1 sBuOOC\nM END\n> \nCOOsBu\n\n> \nsBuOOC\n\n$$$$\nBom\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Bom\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nBom\n\n$$$$\nDMSO\n Mrv15c7 12111511552D \n\n 4 3 0 0 0 0 999 V2000\n 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 4 1 2 3 4\nM SMT 1 DMSO\nM SDS EXP 1 1\nM END\n> \nDMSO\n\n$$$$\n3-Fur\n Mrv15c7 12111511552D \n\n 5 5 0 0 0 0 999 V2000\n 0.5678 1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 1 5 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 5 1 2 3 4 5\nM SMT 1 3-Fur\nM SAP 1 1 3 0 1\nM SDS EXP 1 1\nM END\n> \n3-Fur\n\n$$$$\nMsc\n Mrv15c7 12111511552D \n\n 9 8 0 0 0 0 999 V2000\n 4.1250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -1.4289 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 2 4 2 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 Msc\nM SAP 1 1 8 0 1\nM SDS EXP 1 1\nM END\n> \nMsc\n\n$$$$\nSNa\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 1 2 -1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 SNa\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 NaS\nM END\n> \nSNa\n\n> \nNaS\n\n$$$$\nTIPDS\n Mrv15c7 12111511552D \n\n 15 14 0 0 0 0 999 V2000\n 0.0000 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -1.5787 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -1.5787 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2868 -1.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -2.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8579 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5724 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7645 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 7 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 10 12 1 0 0 0 0\n 4 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SMT 1 TIPDS\nM SAP 1 2 4 0 1 6 0 2\nM SDS EXP 1 1\nM END\n> \nTIPDS\n\n$$$$\nADGluco\n Mrv15c7 12111511552D \n\n 12 12 0 0 1 0 999 V2000\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 1 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 6 0 0 0\n 5 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 1 0 0 0\n 7 9 1 0 0 0 0\n 9 10 1 6 0 0 0\n 9 11 1 0 0 0 0\n 2 11 1 0 0 0 0\n 11 12 1 1 0 0 0\nM STY 1 1 SUP\nM SAL 1 12 1 2 3 4 5 6 7 8 9 10 11 12\nM SMT 1 ADGluco\nM SAP 1 1 1 0 1\nM SDS EXP 1 1\nM END\n> \nADGluco\n\n$$$$\nCO2Ph\n Mrv15c7 12111511552D \n\n 9 9 0 0 0 0 999 V2000\n 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 4 9 1 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 9 1 2 3 4 5 6 7 8 9\nM SMT 1 CO2Ph\nM SAP 1 1 2 0 1\nM SDS EXP 1 1\nM MJS SAT 1 PhO2C\nM END\n> \nCO2Ph\n\n> \nPhO2C\n\n$$$$\nNaOH\n Mrv15c7 12111511552D \n\n 2 0 0 0 0 0 999 V2000\n 0.8250 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0\nM CHG 2 1 -1 2 1\nM STY 1 1 SUP\nM SAL 1 2 1 2\nM SMT 1 NaOH\nM SDS EXP 1 1\nM END\n> \nNaOH\n\n$$$$\nP+Ph3\n Mrv15c7 12111511552D \n\n 19 21 0 0 0 0 999 V2000\n -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7145 -0.4125 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0\n 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 2 0 0 0 0\n 2 3 1 0 0 0 0\n 3 4 2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 1 6 1 0 0 0 0\n 4 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 2 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 2 0 0 0 0\n 8 13 1 0 0 0 0\n 7 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 2 0 0 0 0\n 17 18 1 0 0 0 0\n 18 19 2 0 0 0 0\n 14 19 1 0 0 0 0\nM CHG 1 7 1\nM STY 1 1 SUP\nM SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15\nM SAL 1 4 16 17 18 19\nM SMT 1 P+Ph3\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 Ph3P+\nM END\n> \nP+Ph3\n\n> \nPh3P+\n\n$$$$\nOBoc\n Mrv1722009201714142D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 OBoc\nM SAP 1 1 7 0 1\nM SDS EXP 1 1\nM MJS SAT 1 BocO\nM END\n> \nOBoc\n\n> \nBocO\n\n$$$$\nNBoc\n Mrv1722009201714142D \n\n 8 7 0 0 0 0 999 V2000\n 0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1105 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5395 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8250 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2375 -2.8579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 1 0 0 0 0\n 2 4 1 0 0 0 0\n 2 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 8 2 0 0 0 0\nM STY 1 1 SUP\nM SAL 1 8 1 2 3 4 5 6 7 8\nM SMT 1 NBoc\nM SAP 1 2 7 0 1 7 0 2\nM SDS EXP 1 1\nM MJS SAT 1 BocN\nM END\n> \nNBoc\n\n> \nBocN\n\n$$$$\n"]