KEGG:C10847 Benzoylecgonine ISISHOST03240423262D 1 1.00000 0.00000 9905 21 23 0 1 0 999 V2000 5.8108 -12.3465 0.0000 O 0 0 0 0 0 0 0 0 0 6.2004 -13.1430 0.0000 C 0 0 0 0 0 0 0 0 0 6.9521 -13.1396 0.0000 C 0 0 0 0 0 0 0 0 0 5.8383 -13.7430 0.0000 O 0 0 0 0 0 0 0 0 0 7.3280 -13.7913 0.0000 C 0 0 0 0 0 0 0 0 0 7.3245 -12.4878 0.0000 C 0 0 0 0 0 0 0 0 0 8.0797 -13.7913 0.0000 C 0 0 0 0 0 0 0 0 0 8.0832 -12.4878 0.0000 C 0 0 0 0 0 0 0 0 0 8.4590 -13.1396 0.0000 C 0 0 0 0 0 0 0 0 0 4.8690 -12.5576 0.0000 C 0 0 2 0 0 0 0 0 0 4.2789 -11.6594 0.0000 C 0 0 1 0 0 0 0 0 0 4.2789 -12.2743 0.0000 C 0 0 0 0 0 0 0 0 0 3.4151 -11.6594 0.0000 C 0 0 3 0 0 0 0 0 0 3.3662 -12.2743 0.0000 C 0 0 3 0 0 0 0 0 0 2.9167 -11.1134 0.0000 N 0 0 3 0 0 0 0 0 0 2.8036 -12.0185 0.0000 C 0 0 0 0 0 0 0 0 0 2.4858 -12.6699 0.0000 C 0 0 0 0 0 0 0 0 0 2.9125 -10.2625 0.0000 C 0 0 0 0 0 0 0 0 0 4.6625 -10.9333 0.0000 C 0 0 0 0 0 0 0 0 0 5.4834 -10.9125 0.0000 O 0 0 0 0 0 0 0 0 0 4.2458 -10.2166 0.0000 O 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 3 6 2 0 0 0 5 7 2 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 8 9 2 0 0 0 1 2 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 15 1 0 0 0 16 17 1 0 0 0 15 18 1 0 0 0 11 19 1 1 0 0 19 20 1 0 0 0 19 21 2 0 0 0 10 1 1 1 0 0 M END