HMDB0013892 RDKit 3D N-Desmethylvenlafaxine 44 45 0 0 0 0 0 0 0 0999 V2000 -1.0454 -4.1899 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -2.9268 -0.4319 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.1244 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0523 -0.7252 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 -0.0877 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 -0.0408 1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6767 0.5903 1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 1.1703 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7022 1.7850 1.2143 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 2.3978 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 1.1181 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 0.4832 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 -0.0026 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 0.0060 1.2548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5071 -0.7074 -0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6405 0.2665 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 1.2760 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 2.1453 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3539 1.4137 -0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -3.8651 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7737 -4.9350 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -4.4819 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 -3.1688 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.1148 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8901 -2.6640 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -0.7360 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8482 -0.4861 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 0.6103 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 3.1116 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2785 1.6871 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 3.0513 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 1.5658 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 0.4851 -2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 0.8789 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -1.4549 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -1.2181 -1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5653 -0.3108 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 0.7222 -1.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7431 0.7120 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 1.8901 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 2.4465 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 3.0951 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 1.3613 -1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4307 1.9706 -0.5355 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 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 2 0 4 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 5 1 0 19 13 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 10 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