HMDB0033484 RDKit 3D (S)-Valerianine 28 29 0 0 0 0 0 0 0 0999 V2000 3.7578 -1.2355 0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 -0.7157 0.9291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 0.0974 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 0.7832 -0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 2.1515 -0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 2.8382 -0.7068 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 2.1201 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 0.7694 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 0.0489 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3243 -1.3646 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8295 -1.4314 0.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 -0.1891 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 0.3978 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -1.9678 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 -1.6466 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4509 -0.3798 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -0.4659 -1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2013 0.8739 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0899 2.6576 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0871 2.7227 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -1.9937 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 -1.7734 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 -1.4079 1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3162 -2.3157 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7328 -0.4273 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 -0.0339 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 0.3982 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 1.4896 0.1469 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 9 4 1 0 12 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 5 19 1 0 7 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 M END