HMDB0029861 RDKit 3D Enrofloxacin 48 51 0 0 0 0 0 0 0 0999 V2000 6.5129 -0.6320 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5888 0.2416 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 -0.0060 -0.2911 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 -1.2290 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 -1.1413 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -0.1191 0.4119 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 0.1680 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 0.0743 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 0.3424 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 0.7191 1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 0.8214 2.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 0.5453 2.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9261 0.6339 3.0505 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 0.9859 1.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9741 1.3267 3.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 0.8690 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1075 1.1445 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4019 1.4860 2.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1137 1.0423 0.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 0.4940 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1419 0.2376 -0.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8023 -0.1575 -1.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -1.4950 -2.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 -1.1979 -2.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 0.7050 -0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 1.1482 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3263 -1.0400 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0166 -1.4340 -1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0920 -0.0468 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7867 1.3034 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8861 0.2257 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 -1.8584 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 -1.8584 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -1.0881 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -2.1222 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -0.2217 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 1.1158 3.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2934 0.2469 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1744 0.3952 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5368 0.7189 -2.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 -2.2589 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7088 -1.5397 -3.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -0.9105 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4786 -1.6902 -1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 0.0203 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 1.5411 -0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 1.5990 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 1.8952 -0.9578 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 10 14 1 0 14 15 2 0 14 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 6 25 1 0 25 26 1 0 26 3 1 0 12 7 1 0 24 22 1 0 21 9 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 8 36 1 0 11 37 1 0 19 38 1 0 20 39 1 0 22 40 1 0 23 41 1 0 23 42 1 0 24 43 1 0 24 44 1 0 25 45 1 0 25 46 1 0 26 47 1 0 26 48 1 0 M END