HMDB0015113 RDKit 3D Lomefloxacin 44 46 0 0 0 0 0 0 0 0999 V2000 1.7998 -2.7148 -1.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -2.4545 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 -1.0722 -0.1865 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -0.6766 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 0.6051 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 0.9559 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6178 0.1110 -0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1512 2.2401 0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4265 1.5604 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 2.7655 0.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1031 1.1882 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 2.1807 0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 1.8486 0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0219 2.8047 1.2616 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 0.5549 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 0.1520 0.7255 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 -0.3485 1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 -1.0671 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6829 -0.1953 1.0018 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 0.7496 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 1.0847 -1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7812 0.2340 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 -0.4349 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 -1.6867 0.0041 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7185 -0.1206 0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5996 -3.0746 -2.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -3.4921 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 -1.7825 -2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -2.9482 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2385 -3.0136 -0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 -1.4532 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 2.6716 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 3.1843 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -1.0605 2.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.5255 2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1657 -1.3868 2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5681 -2.0078 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2901 0.3075 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 1.7039 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1077 0.9671 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9302 2.1134 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 0.3054 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 0.9444 -1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8613 -0.7679 -0.8756 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 2 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 15 23 1 0 23 24 1 0 23 25 2 0 25 3 1 0 25 11 1 0 22 16 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 4 31 1 0 8 32 1 0 12 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 21 42 1 0 22 43 1 0 22 44 1 0 M END