HMDB0258796 RDKit 3D Temafloxacin 48 51 0 0 0 0 0 0 0 0999 V2000 3.6343 -2.8486 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 -1.4064 0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -1.1584 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 0.2305 -0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1205 1.0168 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 0.4458 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 1.1897 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2528 2.5493 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0349 3.1438 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 2.3834 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 3.0115 -0.7800 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4382 3.2609 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 4.4914 -0.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6354 2.6145 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9163 3.3008 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9906 2.6860 0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 4.6875 -0.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 1.2549 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 0.5334 0.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 -0.8722 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -1.7514 -0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 -3.1157 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -3.6297 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -4.9883 0.8590 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 -2.7619 1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6727 -1.3896 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 -0.5789 2.5316 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5423 0.8410 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 -0.2269 -1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8129 -1.1101 0.0178 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -3.2482 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2043 -2.9550 2.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0295 -3.4411 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -0.7851 1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 -1.8187 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5048 -1.3495 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1971 -0.6178 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 4.1982 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 5.2628 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5396 0.6998 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1496 -1.3841 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 -3.8012 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8299 -3.1195 2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9102 1.5595 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 1.3724 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 0.3712 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -0.7302 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 -2.0165 -0.3313 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 8 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 4 28 1 0 28 29 1 0 29 30 1 0 30 2 1 0 10 5 1 0 26 20 1 0 19 7 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 6 37 1 0 9 38 1 0 17 39 1 0 18 40 1 0 21 41 1 0 22 42 1 0 25 43 1 0 28 44 1 0 28 45 1 0 29 46 1 0 29 47 1 0 30 48 1 0 M END