HMDB0249812 RDKit 3D cephamycin C 52 53 0 0 0 0 0 0 0 0999 V2000 -0.4193 -4.0291 1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 -2.9292 1.8889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.7941 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -1.4077 0.7047 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 -0.4185 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 0.2653 -0.8403 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 -0.1228 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2602 0.9652 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6362 1.3412 -1.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5061 1.9566 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8191 2.1945 -1.3278 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7592 1.1423 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2795 1.4251 1.7046 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5512 0.0019 0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0715 -2.1702 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9915 -3.0096 -1.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9916 -1.2005 0.3397 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 -0.5484 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 -1.4684 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 -1.1231 -0.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 -2.8573 0.0553 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 0.7654 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5598 1.5504 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8019 1.0343 -0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9721 1.7558 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1892 1.0724 -0.5291 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8933 2.9991 -0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0336 1.5425 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 0.9504 1.2473 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -0.8041 1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 -3.8656 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 -4.5116 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -4.8284 2.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.9256 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 0.0631 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 -1.1030 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 1.9151 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6587 0.7186 -2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1399 0.4049 -2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 2.0544 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1205 2.9529 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7133 2.9252 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5583 2.3595 -0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1842 -0.1471 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -3.3247 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 2.1953 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 2.3744 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0388 1.5006 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 0.1420 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 2.6328 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 1.4370 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5993 -1.0489 2.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 3 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 22 28 1 0 28 29 1 0 29 30 1 0 30 3 1 0 30 17 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 14 44 1 0 21 45 1 0 23 46 1 0 23 47 1 0 26 48 1 0 26 49 1 0 28 50 1 0 28 51 1 0 30 52 1 0 M END