KEGG:C11373 Temocaprilat ISISHOST03240423282D 1 1.00000 0.00000 11417 30 32 0 1 0 999 V2000 10.3437 -4.4131 0.0000 S 0 0 0 0 0 0 0 0 0 10.7839 -3.7085 0.0000 C 0 0 0 0 0 0 0 0 0 10.2490 -3.0751 0.0000 C 0 0 0 0 0 0 0 0 0 9.4809 -3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 9.5403 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 6.3665 -5.6116 0.0000 N 0 0 0 0 0 0 0 0 0 7.1762 -5.4528 0.0000 C 0 0 2 0 0 0 0 0 0 7.6711 -6.1096 0.0000 C 0 0 0 0 0 0 0 0 0 8.4975 -6.1385 0.0000 N 0 0 3 0 0 0 0 0 0 7.3910 -4.6522 0.0000 C 0 0 0 0 0 0 0 0 0 9.0357 -5.5149 0.0000 C 0 0 0 0 0 0 0 0 0 8.1477 -4.3200 0.0000 S 0 0 0 0 0 0 0 0 0 8.8778 -4.7063 0.0000 C 0 0 2 0 0 0 0 0 0 7.2724 -6.8282 0.0000 O 0 0 0 0 0 0 0 0 0 8.8531 -6.8791 0.0000 C 0 0 0 0 0 0 0 0 0 9.6745 -6.8987 0.0000 C 0 0 0 0 0 0 0 0 0 10.1388 -6.2132 0.0000 O 0 0 0 0 0 0 0 0 0 10.0309 -7.6413 0.0000 O 0 0 0 0 0 0 0 0 0 5.8242 -4.9899 0.0000 C 0 0 1 0 0 0 0 0 0 5.0146 -5.1487 0.0000 C 0 0 0 0 0 0 0 0 0 4.4723 -4.5270 0.0000 C 0 0 0 0 0 0 0 0 0 6.0915 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 6.9010 -4.0506 0.0000 O 0 0 0 0 0 0 0 0 0 5.5492 -3.5877 0.0000 O 0 0 0 0 0 0 0 0 0 3.6627 -4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 3.1251 -4.0642 0.0000 C 0 0 0 0 0 0 0 0 0 2.3155 -4.2230 0.0000 C 0 0 0 0 0 0 0 0 0 2.0482 -5.0035 0.0000 C 0 0 0 0 0 0 0 0 0 2.5905 -5.6252 0.0000 C 0 0 0 0 0 0 0 0 0 3.4001 -5.4664 0.0000 C 0 0 0 0 0 0 0 0 0 11 13 1 0 0 0 12 13 1 0 0 0 8 14 2 0 0 0 9 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 16 18 2 0 0 0 13 5 1 6 0 0 4 5 2 0 0 0 6 19 1 0 0 0 5 1 1 0 0 0 19 20 1 0 0 0 2 3 2 0 0 0 20 21 1 0 0 0 1 2 1 0 0 0 19 22 1 1 0 0 3 4 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 7 6 1 1 0 0 21 25 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 7 10 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 29 30 2 0 0 0 30 25 1 0 0 0 M END