HMDB0060618 RDKit 3D 6-Aminopenicillanic acid 26 27 0 0 0 0 0 0 0 0999 V2000 -0.9550 -2.2153 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 -0.9554 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0008 -0.9502 -1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6807 -0.7683 -1.2622 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 0.8241 -0.5016 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4832 0.7884 0.2414 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1287 -0.4909 0.2668 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 1.0875 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 1.5293 2.5602 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4213 0.7002 0.7496 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 0.2986 0.4811 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6625 1.4081 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 1.3209 -0.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 2.6200 -0.3462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -2.1234 1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -2.5001 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 -3.0413 -0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0133 -0.9629 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8842 -0.0718 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 -1.8420 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 1.7044 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1177 1.6554 -0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 -0.5121 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -0.9610 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4405 0.0581 1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 3.3998 0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 2 1 0 10 5 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 5 21 1 6 6 22 1 6 7 23 1 0 7 24 1 0 11 25 1 1 14 26 1 0 M END