HMDB0042009 RDKit 3D Rufloxacin 43 46 0 0 0 0 0 0 0 0999 V2000 -5.8670 -0.1560 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5287 -0.7068 -0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8428 -0.5058 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -0.8847 -1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 0.1237 -0.3164 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 0.4873 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 1.5129 -1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 2.1672 -1.9708 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3008 1.8482 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 1.1860 -0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 1.6202 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 2.5442 -1.3518 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 0.9678 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8855 1.3581 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 2.2922 -0.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8464 0.7192 0.8747 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -0.0500 1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -0.4826 1.1415 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 0.1368 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -0.1538 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0631 -1.4849 1.4404 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -2.4359 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 -1.5479 2.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.7577 0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 -0.2018 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4963 -0.8486 -0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9034 0.8437 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2306 -0.1429 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 0.5800 -1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3592 -1.1290 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -0.9131 -2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -1.8644 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 2.6630 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2919 -0.0935 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 -0.5230 1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 -2.9421 2.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5821 -3.2211 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 -1.1845 3.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 -2.2343 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 1.6712 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0959 0.9771 1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 0.3280 1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3324 -1.0777 1.5583 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 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 5 24 1 0 24 25 1 0 25 2 1 0 20 6 1 0 19 10 1 0 23 18 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 9 33 1 0 16 34 1 0 17 35 1 0 22 36 1 0 22 37 1 0 23 38 1 0 23 39 1 0 24 40 1 0 24 41 1 0 25 42 1 0 25 43 1 0 M END