HMDB0015426 RDKit 3D Cefoxitin 45 47 0 0 0 0 0 0 0 0999 V2000 1.9586 -2.1159 2.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0491 -1.1029 1.9897 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.1666 0.5389 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8734 -0.9224 -0.1688 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -0.6845 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 -0.7209 -2.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1851 -0.2593 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 0.3506 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 1.7252 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 2.0983 -1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 1.1258 -2.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4952 -0.3273 -1.8523 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 -2.2723 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1398 -3.5206 0.4707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -1.3556 0.4205 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6885 -0.9915 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4727 -1.6172 1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -2.3345 2.3681 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8108 -1.6136 1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1966 -0.2281 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6464 0.1694 -0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7049 1.6257 -0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8072 2.3466 -0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8111 3.7731 -0.2692 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9457 1.8028 -0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 0.2102 -1.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 0.2741 -1.4752 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3694 -0.1885 0.2657 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5174 -3.0853 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -2.2357 3.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -1.9616 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -1.3107 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 0.4371 0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 -1.1414 0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 2.4533 -0.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 3.1737 -1.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 1.2713 -3.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 -1.1634 2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1115 -0.1061 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2061 -0.2183 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9861 4.2204 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5650 4.2963 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -0.5047 -2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8324 1.1832 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 0.6120 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 1 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 3 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 2 0 20 26 1 0 26 27 1 0 27 28 1 0 28 3 1 0 12 8 1 0 28 15 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 7 33 1 0 7 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 19 38 1 0 21 39 1 0 21 40 1 0 24 41 1 0 24 42 1 0 26 43 1 0 26 44 1 0 28 45 1 1 M END