HMDB0001929 RDKit 3D Levofloxacin 46 49 0 0 0 0 0 0 0 0999 V2000 -3.1749 -2.4391 -1.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 -1.8636 -0.9785 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8724 -1.4813 -1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 -1.0549 -0.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3122 0.0317 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6305 0.8984 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 0.7520 0.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9459 1.7444 0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 1.4095 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 0.0005 0.5717 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9186 -0.4081 0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 -0.5932 -0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -0.3919 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 1.9569 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 2.8866 1.8002 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 2.1073 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 1.2201 1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 1.3757 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7963 2.3593 2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 0.4652 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7566 0.6118 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1821 1.5654 1.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6716 -0.2884 0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8949 -0.5901 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -0.7445 -0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6883 0.1441 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -1.6356 -2.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 -3.1067 -2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8592 -3.0319 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 -2.6447 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -2.3460 -2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 -0.6498 -2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9011 1.7334 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 2.7753 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 1.6870 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 2.0072 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -1.3857 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 -0.5935 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5189 0.3182 1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1644 -1.6768 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 -0.1335 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -0.4002 -1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1201 -1.3099 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 2.9387 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1779 -0.8840 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5655 -1.3352 -0.3751 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 1 0 6 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 1 0 6 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 2 0 24 25 1 0 25 26 1 0 25 2 1 0 26 5 2 0 13 7 1 0 26 17 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 1 3 31 1 0 3 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 16 44 1 0 23 45 1 0 24 46 1 0 M END