HMDB0014630 RDKit 3D Pefloxacin 44 46 0 0 0 0 0 0 0 0999 V2000 2.3048 2.2765 -2.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 2.2105 -0.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 0.8856 -0.3201 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0318 0.5419 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 -0.7129 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8283 -1.0698 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 -0.2431 0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2025 -2.3349 0.8396 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -1.6750 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.8238 0.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -1.3434 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -2.2720 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 -1.8902 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1794 -2.7751 0.7559 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5463 -0.6306 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 -0.2685 -0.0873 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7635 -0.9817 -1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 -0.9631 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6421 0.3964 -0.5228 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8057 0.5297 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6199 1.3663 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 0.8265 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4828 0.2531 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 -0.0797 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 2.0873 -2.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 3.2947 -2.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5899 1.5003 -2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 2.7089 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3057 2.8556 -0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 1.2727 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0523 -3.0962 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -3.2476 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 -0.5412 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4466 -2.0450 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7926 -1.6315 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 -1.2964 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -0.4723 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5849 1.1916 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5529 0.8708 1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 2.2833 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 1.6200 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7691 1.6604 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 0.5054 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2189 1.2564 -0.5221 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 19 21 1 0 21 22 1 0 15 23 1 0 23 24 2 0 24 3 1 0 24 11 1 0 22 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 4 30 1 0 8 31 1 0 12 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 20 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 M END