HMDB0015296 RDKit 3D Ofloxacin 46 49 0 0 0 0 0 0 0 0999 V2000 3.3300 -0.7458 2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3028 0.0071 2.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 -0.6714 2.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -0.0867 1.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -0.0891 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 -0.1370 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0781 -0.1993 -0.5348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 -0.2553 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5807 0.9806 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7062 0.7376 -0.0145 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9312 0.4989 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4824 -0.1481 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0760 -0.1967 -1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3047 -0.1322 -2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1618 -0.1792 -3.2111 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.0821 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 -0.0351 -1.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 0.0151 -1.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 0.0175 -3.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 0.0620 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 0.1156 -1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 0.1572 -0.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 0.1215 -2.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9278 0.0560 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 0.0067 0.6704 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -0.0393 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8502 -0.9519 3.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -0.1546 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 -1.7385 2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2867 1.0396 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.5546 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1371 -1.7576 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -0.4135 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 -1.1118 0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9377 1.1852 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 1.8692 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6698 -0.0772 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 1.4487 1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6887 -0.0741 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 -1.1739 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1728 0.1315 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 0.7295 -2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9132 -1.1373 -2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -0.0787 -3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6733 0.9221 -3.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7075 0.0936 1.1110 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 0 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