HMDB0041851 RDKit 3D Cefpimizole 72 76 0 0 0 0 0 0 0 0999 V2000 0.6976 -1.0993 -3.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 -1.2873 -2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 -2.0695 -2.6952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -0.6892 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.8570 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -1.6819 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6684 -0.9042 0.0101 N 0 0 0 0 0 4 0 0 0 0 0 0 5.1931 -0.3224 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3468 0.4169 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 0.5620 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2033 1.3649 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3871 0.4599 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8968 1.4107 0.3517 S 0 0 0 0 0 6 0 0 0 0 0 0 10.9636 2.4661 -0.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0967 0.5253 0.1725 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 2.1051 1.8676 O 0 0 0 0 0 1 0 0 0 0 0 0 6.3792 -0.0530 1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 -0.7864 1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -0.2654 1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 0.7201 1.7203 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 1.1428 0.1277 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4234 0.6600 0.1510 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6029 -0.5493 0.8918 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 -1.0997 1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -2.2800 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9693 -0.4983 0.5429 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7418 -0.0813 1.6628 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 0.8146 1.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1988 0.9485 3.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0893 1.6249 0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5943 1.5401 -0.6324 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2183 2.4274 -1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1137 3.0990 -0.6756 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0424 2.6060 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8749 3.1061 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8519 2.6981 2.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7980 4.1313 1.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 -1.5053 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3597 -2.5434 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0422 -3.4923 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 -3.4283 -1.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 -2.3866 -2.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 -1.4465 -1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 0.3787 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6985 0.3782 -2.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 0.1159 -0.8372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -2.2131 -3.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -2.3558 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -2.4037 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7105 -0.4336 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7845 0.8962 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2731 1.8015 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.1630 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4440 -0.3286 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3612 -0.0375 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8706 0.0655 2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -1.2700 2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 0.3430 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 -1.1143 2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 2.1827 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.4989 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3318 -3.1292 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 0.3297 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5921 1.3875 3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 2.6225 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7607 3.8557 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7602 3.8276 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3396 -2.6093 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5721 -4.3235 0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6087 -4.1629 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4495 -2.3347 -3.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 -0.6332 -2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 10 17 1 0 17 18 2 0 5 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 3 24 25 1 0 24 26 1 0 26 27 1 0 27 28 2 3 28 29 1 0 28 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 26 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 22 44 1 0 44 45 2 0 44 46 1 0 46 4 1 0 18 7 1 0 46 21 1 0 34 30 2 0 43 38 1 0 3 47 1 0 6 48 1 0 6 49 1 0 8 50 1 0 9 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 21 60 1 6 22 61 1 6 25 62 1 0 26 63 1 6 29 64 1 0 32 65 1 0 33 66 1 0 37 67 1 0 39 68 1 0 40 69 1 0 41 70 1 0 42 71 1 0 43 72 1 0 M CHG 2 7 1 16 -1 M END