HMDB0252327 RDKit 3D Flucythrinate 56 58 0 0 0 0 0 0 0 0999 V2000 -5.1015 -2.0843 1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7911 -2.7246 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9182 -3.3629 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -1.7185 0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -2.2812 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 -3.3858 -0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 -1.6441 0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 -2.2091 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -2.4746 1.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4413 -2.6909 2.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8274 -1.3295 -0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2431 -0.6435 -1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 0.1837 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 0.3387 -2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 -0.3406 -1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 -0.1614 -1.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8484 0.8335 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 2.0534 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6626 3.0249 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 2.7428 1.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 1.5127 1.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 0.5457 1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1829 -1.1561 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 -0.3842 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 0.6904 1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7304 1.9288 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 2.1776 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 3.4163 -1.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 4.5344 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 4.9982 -1.1269 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3978 5.5858 -0.7008 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 1.1266 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8559 -0.1193 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8911 -2.8370 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2868 -1.1222 0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -1.9315 2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5975 -3.5205 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 -3.0783 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -3.2550 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8157 -4.4881 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 -1.5280 2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -3.1869 -0.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 -0.7547 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 0.6990 -3.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 0.9786 -2.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 2.2135 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8798 3.9841 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3080 3.5291 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 1.3072 2.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8339 -0.4325 1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.6732 0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5728 0.5208 2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 2.6713 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 4.4367 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0315 1.3442 -2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 -0.8593 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 3 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 15 23 2 0 4 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 27 32 1 0 32 33 2 0 23 11 1 0 33 24 1 0 22 17 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 8 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 25 52 1 0 26 53 1 0 29 54 1 0 32 55 1 0 33 56 1 0 M END