HMDB0041758 RDKit 3D Melanettin 33 35 0 0 0 0 0 0 0 0999 V2000 -5.4205 -0.6132 0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 -0.5642 1.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 -0.3741 0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -0.2139 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -0.0245 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 0.1239 -2.5198 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 0.3022 -3.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 0.4475 -4.4189 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 0.3394 -2.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 0.1876 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9326 0.2718 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -0.5803 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 -0.5698 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 0.3488 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 0.3891 1.3621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 1.1985 1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 1.1713 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 0.0008 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -0.1574 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7977 -0.3441 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 -0.5046 2.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4090 -1.0685 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8439 0.4313 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1627 -1.2175 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -0.2333 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 0.4856 -2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 -1.3083 -1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -1.2245 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4067 -0.2398 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6528 1.8978 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 1.8685 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.1462 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0099 -0.4859 3.4476 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 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 10 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 3 1 0 18 5 2 0 17 11 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 9 26 1 0 12 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 19 32 1 0 21 33 1 0 M END