HMDB0250352 RDKit 3D Clonixin 29 30 0 0 0 0 0 0 0 0999 V2000 -2.2906 -2.0243 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -0.5682 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 -0.0726 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -1.0990 -0.1700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 1.2590 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 2.0798 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 1.5584 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 0.2347 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 -0.3649 -0.0638 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 0.2297 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 1.5288 0.3211 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 2.2280 0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 1.5703 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6477 0.2257 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4262 -0.4630 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 -1.8665 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 -2.6123 -0.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 -2.4539 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6105 -2.4947 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 -2.5273 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8523 -2.1592 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8905 1.6494 0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 3.1459 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 2.2555 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 -1.3848 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 3.2896 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 2.1214 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6018 -0.2774 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -3.0079 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 8 2 1 0 15 10 1 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 18 29 1 0 M END