HMDB0041868 RDKit 3D Desacetylcefotaxime 42 44 0 0 0 0 0 0 0 0999 V2000 -3.6175 2.8905 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 1.8220 -1.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 0.5698 -1.3441 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -0.1031 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4846 0.5592 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0977 1.8703 -0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 0.0479 1.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 0.5769 2.0721 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9114 1.7513 1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 2.9847 1.6006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 0.8950 1.1244 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 0.7183 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 1.7752 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9513 2.7864 1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 1.8201 -0.5115 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1455 -0.3294 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2295 -0.6146 -1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8627 -1.8456 -1.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -1.3319 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 -1.7023 1.1601 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -0.1491 2.0271 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0091 -1.4825 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 -2.2115 0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 -3.6832 0.8962 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3582 -3.2755 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3109 -3.9937 -0.9642 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9808 -2.0480 -0.7216 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 3.8386 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 2.7782 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 2.8261 -2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 2.0575 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 0.7080 3.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5021 2.6165 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 0.0919 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8052 -0.8307 -2.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -1.9829 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1639 -0.8499 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -2.2326 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 -0.1809 3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -1.9667 1.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8544 -3.6079 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4966 -1.5623 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 4 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 3 25 27 1 0 21 8 1 0 27 22 1 0 21 11 1 0 1 28 1 0 1 29 1 0 1 30 1 0 6 31 1 0 8 32 1 1 15 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 19 38 1 0 21 39 1 1 23 40 1 0 26 41 1 0 27 42 1 0 M END