HMDB0060633 RDKit 3D N-Acetyl gemifloxacin 50 53 0 0 0 0 0 0 0 0999 V2000 5.8747 1.6155 -2.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 1.0865 -2.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5769 0.5708 -0.8475 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 0.2560 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 0.3837 -1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1048 0.1243 -0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 0.6754 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3105 -0.0990 -0.2834 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5633 0.4269 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7406 1.7875 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6138 2.5789 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 2.0451 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 2.8033 -0.0681 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0225 2.2914 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1827 3.5344 -0.3127 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1395 1.4759 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4898 2.0132 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4727 1.2427 -0.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 3.3727 -0.4571 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8886 0.1178 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6433 -0.3886 -0.4206 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4961 -1.8246 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -2.6138 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5955 -2.7298 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -0.7851 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -0.3126 0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 -1.4346 1.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 -1.4938 2.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5793 -2.6442 2.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6899 -0.5176 3.2659 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 2.6497 -2.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 1.0353 -3.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6835 1.6195 -1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1018 1.4420 -1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 -0.3500 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 3.6498 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8156 3.8547 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7655 -0.5268 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 -2.1591 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -3.4324 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6232 -2.1765 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 -3.7142 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5764 -2.3946 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 -0.6444 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -1.8134 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1604 0.4680 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -2.2505 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 -3.3307 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 -3.2573 3.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 -2.2275 3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 10 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 6 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 2 0 26 4 1 0 12 7 1 0 24 22 1 0 21 9 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 5 35 1 0 11 36 1 0 19 37 1 0 20 38 1 0 22 39 1 0 23 40 1 0 23 41 1 0 24 42 1 0 24 43 1 0 25 44 1 0 25 45 1 0 26 46 1 0 27 47 1 0 29 48 1 0 29 49 1 0 29 50 1 0 M END