HMDB0015483 RDKit 3D Cefepime 56 59 0 0 0 0 0 0 0 0999 V2000 2.9975 2.8230 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 1.7516 -0.9953 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 1.2348 -0.7480 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 0.0244 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -0.9697 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -2.1912 -0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5457 -0.7912 -0.5728 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 -1.9261 -0.4406 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6915 -2.1310 -1.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -2.4102 -2.7387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -1.8800 -0.6217 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 -1.7277 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 -2.6513 -1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 -2.6762 -1.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0488 -3.6113 -2.0423 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3215 -0.8268 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7755 -0.6843 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 0.5539 0.1088 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5705 1.2064 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6748 0.2749 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6819 0.9741 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9583 1.1748 1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5403 1.4520 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 0.2073 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2513 -0.0111 1.0485 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5165 -1.7290 0.5273 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3812 -0.3617 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 -1.6184 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -1.4017 0.2400 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5693 0.2632 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7157 1.1433 -0.1531 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3115 0.5574 -0.3059 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 3.7243 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.0385 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 2.5020 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 0.1252 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 -2.8396 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4312 -1.5017 0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 -0.6470 1.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 0.6439 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 2.2645 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 1.3321 -1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9108 -0.7894 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7568 0.6527 -1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5874 0.3167 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0086 1.9497 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2881 2.1005 2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9476 0.2805 2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 1.3551 2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5495 2.5126 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 0.1461 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 1.2311 0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 -2.4942 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2449 -2.5678 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8261 1.9018 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4586 0.9913 0.5495 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 2 0 5 7 1 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 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 16 24 1 0 24 25 1 0 25 26 1 0 4 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 26 8 1 0 32 27 1 0 26 11 1 0 23 18 1 0 1 33 1 0 1 34 1 0 1 35 1 0 7 36 1 0 8 37 1 1 17 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 24 52 1 0 26 53 1 1 28 54 1 0 31 55 1 0 31 56 1 0 M CHG 2 15 -1 18 1 M END