HMDB0254108 RDKit 3D Lintitript 42 45 0 0 0 0 0 0 0 0999 V2000 -3.4759 -1.5201 1.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4116 -2.1827 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 -3.5419 0.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 -1.5198 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -0.0815 -0.5676 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 0.6227 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4873 0.2046 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 1.1383 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 -1.0627 0.2388 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -1.3509 0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4878 -0.6292 0.4649 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -1.1510 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 -0.3953 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1076 -0.9765 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3137 -0.2889 1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 1.0318 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1525 1.6349 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9479 0.9226 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 1.7919 -0.0875 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6705 -2.5121 0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0254 -2.9228 0.8574 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 1.9641 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 2.0329 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 3.0688 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8287 2.8108 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2989 1.5308 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 0.5102 -0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 0.7419 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -3.9885 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -2.0090 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 -1.6703 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 -1.8814 0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1218 -2.0332 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 -0.8471 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2635 1.5941 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1405 2.6834 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 -3.1451 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6394 2.8474 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 4.0698 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5389 3.6433 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3516 1.3541 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7452 -0.4884 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 12 20 2 0 20 21 1 0 6 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 5 1 0 21 10 1 0 28 23 1 0 18 13 1 0 3 29 1 0 4 30 1 0 4 31 1 0 9 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 20 37 1 0 22 38 1 0 24 39 1 0 25 40 1 0 26 41 1 0 27 42 1 0 M END