HMDB0060316 RDKit 3D (7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate 46 47 0 0 0 0 0 0 0 0999 V2000 -4.2367 -0.2299 -3.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 0.3429 -1.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 1.5019 -1.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 -0.2921 -0.6691 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -0.0676 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7745 0.1359 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2713 -0.6918 2.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9869 -1.8552 2.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 -2.1689 2.3113 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -2.6681 3.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 -0.4546 2.6763 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -0.9789 2.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7926 -2.1405 3.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9588 0.3587 3.0068 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5666 0.7399 1.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.0416 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -1.1164 0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 0.4666 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0185 -0.6218 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 -0.2633 -2.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5096 0.9777 -2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 2.0713 -2.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 0.9434 -2.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 -0.1511 -2.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6705 2.1106 -2.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 0.7977 3.2277 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0346 2.1077 2.1425 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9594 1.3230 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 0.3273 -3.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3233 -0.1730 -3.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -1.2923 -3.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7016 0.9657 0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7646 -0.7384 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 -3.5922 3.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 0.5516 3.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -1.5185 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 1.4115 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 0.5656 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 -1.5818 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 -0.7574 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 -0.1158 -3.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 -1.0885 -2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8222 2.6279 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 0.9457 4.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 2.1009 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3847 1.1428 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 23 25 1 0 14 26 1 0 26 27 1 0 27 28 1 0 28 6 1 0 26 11 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 10 34 1 0 14 35 1 1 17 36 1 0 18 37 1 0 18 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 25 43 1 0 26 44 1 1 28 45 1 0 28 46 1 0 M END