HMDB0250954 RDKit 3D Dehydroevodiamine 38 42 0 0 0 0 0 0 0 0999 V2000 1.2168 2.0954 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 0.6937 -0.2446 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3697 -0.2013 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 0.3387 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 1.6459 -0.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6308 1.5935 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 2.5779 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 2.2575 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3503 0.9595 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 -0.0435 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 0.2933 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 -0.5349 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 -1.9821 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -2.5257 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -1.5986 -0.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 -2.0984 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 -3.3459 -0.3363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9946 -1.1770 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3099 -1.6663 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -0.8570 -0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 0.5010 -0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9031 1.0219 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 0.1898 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.3830 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 2.3470 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 2.7531 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 3.6273 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7045 3.0421 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3799 0.6512 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6801 -1.0845 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -2.2600 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -2.4913 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 -3.3475 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 -3.0449 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4126 -2.7281 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4194 -1.2268 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 1.1516 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 2.0906 -0.4423 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 2 1 0 15 3 1 0 23 18 1 0 12 4 1 0 11 6 1 0 1 24 1 0 1 25 1 0 1 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 M END