HMDB0015339 RDKit 3D Sparfloxacin 50 53 0 0 0 0 0 0 0 0999 V2000 -4.2310 1.9622 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7789 0.8754 0.4930 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2899 0.7256 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -0.4802 -0.1646 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.6841 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 -1.7886 -0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 -2.7462 -1.4479 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4557 -1.9519 -1.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -3.0917 -1.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -1.0161 -0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -1.1995 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.2496 -1.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5423 -0.2467 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 -0.4186 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 0.4508 0.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -1.5267 -0.9817 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 0.8758 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 1.0565 0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 2.2218 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 3.3773 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 3.5129 1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 0.1061 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 0.2405 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 1.3613 0.7894 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7468 -1.4887 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1859 -1.1505 -0.4835 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0856 -2.3604 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3882 -0.3902 0.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 2.0731 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 2.9091 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8662 1.8143 2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0885 1.1878 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9051 0.6850 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9189 1.6410 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 -3.0453 -2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0228 -4.0040 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3258 -2.4546 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 1.6087 0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 2.0545 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 3.9736 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 3.2831 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8498 4.2208 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9751 3.4877 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5167 -2.4972 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 -1.5703 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4881 -0.4623 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6643 -3.2324 0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3365 -2.6577 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0449 -2.0890 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -0.9022 1.4742 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 6 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 18 22 1 0 22 23 2 0 23 24 1 0 4 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 2 1 0 23 5 1 0 22 10 1 0 21 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 6 3 33 1 0 3 34 1 0 9 35 1 0 9 36 1 0 16 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 25 44 1 0 25 45 1 0 26 46 1 6 27 47 1 0 27 48 1 0 27 49 1 0 28 50 1 0 M END