HMDB0248853 RDKit 3D Balofloxacin 52 55 0 0 0 0 0 0 0 0999 V2000 5.9203 1.0714 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4754 0.9333 -0.4471 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 -0.4191 -0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 -1.3209 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -1.2361 1.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 -1.5467 1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6971 -0.5971 0.2361 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 0.1604 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5956 1.3756 1.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 1.9192 1.4908 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 2.0959 1.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 1.6443 0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8652 2.4122 1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 3.5434 1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0886 1.9721 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2584 2.7927 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3904 2.3788 0.5973 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1584 4.0138 1.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1827 0.7232 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -0.0514 -0.1779 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 -1.3533 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -1.5495 -2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 -1.8851 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8993 0.3976 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7331 -0.3026 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 -1.5390 -0.6142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -1.5715 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 -0.4744 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 2.1684 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3315 0.6457 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 0.6124 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1717 1.3702 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -0.8423 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 -1.0926 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 -2.3770 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5715 -0.2357 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 -1.9726 2.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -1.5086 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 -2.5836 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 3.0782 1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1736 4.0555 2.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1995 0.4687 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 -2.1907 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 -0.7089 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -2.4503 -2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8983 -2.9745 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5761 -1.2827 -0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -1.8940 -2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 -2.3438 -2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 -0.5946 -2.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 0.4585 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 -1.3928 -1.5351 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 20 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 7 28 1 0 28 3 1 0 25 8 1 0 24 12 1 0 23 21 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 11 40 1 0 18 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 27 48 1 0 27 49 1 0 27 50 1 0 28 51 1 0 28 52 1 0 M END