HMDB0249775 RDKit 3D cefroxadine 44 46 0 0 0 0 0 0 0 0999 V2000 6.7188 0.5413 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0195 -0.6527 0.0568 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -0.6377 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 -0.4987 -0.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -0.3755 -2.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8294 -0.2447 -3.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 -0.3996 -2.2432 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 -0.4612 -0.6558 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 -0.8825 -1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 -1.4469 -2.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.4075 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6079 0.4888 -0.0046 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 0.3794 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.5612 1.5701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 1.3180 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 2.2844 -0.5088 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1232 0.6035 -0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2749 0.6033 0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4697 -0.1251 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 -1.4382 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -1.4224 -1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0937 -0.1425 -1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 0.3777 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 0.1642 1.9111 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1005 -0.7762 1.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7877 0.4668 0.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4752 0.7825 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 1.3668 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4076 -1.2369 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -1.1985 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5004 1.2621 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2290 1.8559 1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 1.7798 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 2.8103 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 1.1381 1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2356 -0.2581 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9105 0.4508 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5283 -2.3457 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 -2.3800 -1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 -0.4018 -1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6452 0.4212 -2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 1.4424 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -1.8503 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9078 -0.3935 2.3554 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 4 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 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 11 23 1 0 23 24 1 0 24 25 1 0 25 3 1 0 23 8 1 0 22 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 7 29 1 0 11 30 1 0 12 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 18 35 1 0 19 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 22 41 1 0 23 42 1 0 25 43 1 0 25 44 1 0 M END