HMDB0014823 RDKit 3D Trovafloxacin 45 49 0 0 0 0 0 0 0 0999 V2000 4.8160 1.4441 -2.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8526 0.9660 -1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 0.3986 0.1947 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5831 -0.5697 0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 0.1217 1.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0512 -0.4883 1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -0.2134 0.5752 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -0.7767 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3478 -1.6495 1.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3229 -1.9605 2.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8978 -1.3587 2.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 -1.6118 3.2852 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6002 -2.2189 1.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -3.0033 2.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6599 -1.9507 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9742 -2.5528 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 -3.3450 2.2944 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0463 -2.2989 0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 -1.0611 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2117 -0.4910 -0.0877 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 0.4142 -1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 0.2715 -2.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 1.1648 -3.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 2.2395 -3.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 3.1254 -4.3015 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 2.4024 -2.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 1.5069 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 1.6955 -0.5005 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6521 1.5266 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 1.7316 0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3151 1.6298 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2048 2.3880 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 0.4082 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5286 0.4699 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 -1.4490 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0709 -0.8973 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 -2.6421 3.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2441 -2.8460 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2278 -0.8356 -0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 -0.5705 -1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 1.0485 -3.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 3.2528 -2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 1.7480 2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7799 2.1736 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 2.6637 0.2840 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 9 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 5 29 1 0 29 30 1 0 30 2 1 0 30 3 1 0 11 6 1 0 27 21 1 0 20 8 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 6 4 35 1 0 4 36 1 0 10 37 1 0 18 38 1 0 19 39 1 0 22 40 1 0 23 41 1 0 26 42 1 0 29 43 1 0 29 44 1 0 30 45 1 6 M END