HMDB0243747 RDKit 3D (S)-Venlafaxine 47 48 0 0 0 0 0 0 0 0999 V2000 5.6817 -0.4772 -0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 -0.4181 -1.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 -0.1754 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1572 -0.1490 -1.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 0.0923 -1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 0.3205 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7597 0.5733 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3594 1.6681 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 2.8371 -0.2572 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 3.2859 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 3.8605 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5682 -0.6869 0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 -0.3964 0.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -1.4513 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5953 -2.6314 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -3.5247 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -2.6965 1.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -1.5804 1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 0.3015 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 0.0531 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2168 0.5007 -0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 -0.6506 0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 -1.2811 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -0.3353 -2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.1057 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 0.9225 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4672 1.3819 -1.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 1.8294 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 2.9690 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 2.9472 1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 4.4149 1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 4.0431 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 3.6483 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 4.8149 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 0.3060 1.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6863 -1.9284 -1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -0.8430 -1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7499 -3.2115 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5615 -2.2574 -0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 -3.8508 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6931 -4.3554 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9651 -2.2643 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -3.2928 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8508 -0.9538 2.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0179 -1.9876 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 0.4753 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 0.0476 1.0944 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 1 0 8 9 1 0 9 10 1 0 9 11 1 0 7 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 6 19 1 0 19 20 2 0 20 3 1 0 18 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 M END