HMDB0015646 RDKit 3D Desvenlafaxine 44 45 0 0 0 0 0 0 0 0999 V2000 -2.6652 -3.0002 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -1.6505 -0.9561 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 -0.7462 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 -1.4924 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -0.2216 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 1.0245 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 1.3268 1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 2.5154 1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 3.4784 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 4.7247 0.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 3.2385 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 2.0247 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2805 -0.1987 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 1.0467 -0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4004 -0.3915 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -0.9984 1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 -0.4907 0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -0.7738 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 -1.2363 -0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -3.7284 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 -3.2904 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 -3.0113 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1856 -0.7414 0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 0.2383 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 -1.2067 -0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -1.7819 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 -2.3051 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0097 -0.1928 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.5753 1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 2.7307 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 5.5327 0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 3.9907 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6059 1.8789 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 1.6658 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3727 0.5873 1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 -1.0326 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -2.0940 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -0.6641 2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0714 0.5702 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 -1.0530 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 0.1935 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 -1.5103 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 -2.2239 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -1.3068 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 5 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 12 6 1 0 19 13 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 7 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 M END