HMDB0014363 RDKit 3D Moxifloxacin 53 57 0 0 0 0 0 0 0 0999 V2000 0.4801 -2.2586 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -0.8979 -1.2462 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 0.0762 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3581 0.6129 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6271 0.1871 -0.2435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3561 0.7181 -1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7842 0.3047 -1.1201 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4740 1.1784 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7344 0.5141 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3874 -0.8083 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 -1.6667 0.0092 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 -1.0955 -0.5758 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4512 -0.8512 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 1.5949 1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3913 2.1458 1.6376 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 2.0286 1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 1.4958 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 1.9661 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 2.8582 2.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5228 1.4329 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 1.9120 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8525 1.3918 1.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9396 2.8900 2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 0.4520 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -0.0282 -0.3537 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1934 -1.0462 -1.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -2.3919 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5687 -1.4703 -1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0782 0.5048 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 -2.7598 -1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.5886 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 -2.6079 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 1.8140 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 0.2221 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3867 0.2935 -2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 1.4191 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7439 2.1420 -0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 1.1317 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3733 0.3367 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -1.3101 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 -0.7210 1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4923 -2.5383 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 -1.7252 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9028 -1.7356 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 -0.3186 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 2.7983 2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 3.8701 2.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3663 0.0747 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -0.7162 -2.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 -3.2543 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -2.6367 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -1.7401 -3.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 -1.1990 -1.4888 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 4 14 1 0 14 15 1 0 14 16 2 0 16 17 1 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 26 27 1 0 27 28 1 0 25 29 1 0 29 3 1 0 13 5 1 0 29 17 2 0 12 7 1 0 28 26 1 0 1 30 1 0 1 31 1 0 1 32 1 0 6 33 1 0 6 34 1 0 7 35 1 6 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 12 43 1 6 13 44 1 0 13 45 1 0 16 46 1 0 23 47 1 0 24 48 1 0 26 49 1 0 27 50 1 0 27 51 1 0 28 52 1 0 28 53 1 0 M END