HMDB0250269 RDKit 3D Ciprofloxacin-7-ethylenediamine 38 40 0 0 0 0 0 0 0 0999 V2000 5.4540 0.2872 0.1051 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 -0.7968 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -0.6954 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 0.5517 -0.7849 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 0.8952 -0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 0.0268 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 0.3235 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 1.5508 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 2.4308 -1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 2.1011 -1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 2.9540 -1.7376 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5671 1.8734 -0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 2.9859 -0.7358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 1.0185 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8436 1.3764 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 0.5700 0.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 2.5928 -0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.1798 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 -0.5502 0.6861 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1387 -1.7986 1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -2.8290 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -3.0577 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 0.3996 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 1.1768 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1348 -1.7503 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 -0.7904 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 -1.5078 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -0.7575 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 1.2336 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 -0.9358 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 3.3744 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0698 3.4151 0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -0.8582 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -1.8004 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2039 -2.5937 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0805 -3.3732 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 -3.0014 0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -3.8612 1.8009 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 1 0 21 22 1 0 10 5 1 0 22 20 1 0 19 7 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 6 30 1 0 9 31 1 0 17 32 1 0 18 33 1 0 20 34 1 0 21 35 1 0 21 36 1 0 22 37 1 0 22 38 1 0 M END