HMDB0014677 RDKit 3D Ciprofloxacin 42 45 0 0 0 0 0 0 0 0999 V2000 5.9683 0.9220 1.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1263 1.6973 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5217 2.9579 0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 1.2433 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 -0.0204 0.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 -0.4664 0.8422 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -1.8063 1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 -2.8521 0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -2.7625 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 0.3430 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -0.0916 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 0.7109 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4743 0.2051 -0.5179 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7264 -1.1051 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -1.5052 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0654 -0.3927 -0.1267 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 0.2721 -1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 0.9959 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 1.9756 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 2.8266 -1.3216 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5108 2.4503 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4692 1.6256 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 2.0454 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1146 3.1976 -0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0784 3.1412 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 -0.6524 1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -1.8420 2.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9211 -3.7248 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6914 -2.5809 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -2.4360 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -3.5576 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.1108 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 -1.8457 -0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 -1.1302 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 -2.2729 -0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4217 -1.9354 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9674 0.3176 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5732 0.9788 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6822 -0.4445 -2.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0302 1.2694 -2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6482 1.9251 -0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 3.4347 -0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 12 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 4 1 0 9 7 1 0 22 10 1 0 18 13 1 0 3 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 21 42 1 0 M END