HMDB0013866 RDKit 3D N-Desmethyltamoxifen 54 56 0 0 0 0 0 0 0 0999 V2000 -4.8937 0.3469 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -0.0894 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 -0.4501 -0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 0.2695 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 1.4119 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 1.5457 -2.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 2.7093 -3.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 3.7277 -3.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 3.6045 -1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 2.4527 -1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1667 -0.0218 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -0.0600 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2251 -0.3135 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 -0.5280 0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5834 -0.7751 1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -0.8536 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4552 0.3586 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5612 1.4682 1.1406 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 1.1437 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 -0.4863 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0115 -0.2396 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 -1.6326 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 -1.9067 1.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9748 -3.0463 2.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 -3.9457 1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -3.6904 0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 -2.5590 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 -0.4497 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5498 1.1360 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 0.8673 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 -1.0529 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 0.6001 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 0.7457 -3.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3602 2.8234 -4.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 4.6359 -3.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 4.4144 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 2.3477 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.0984 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -0.3479 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8952 -1.6657 0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 -1.3002 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 0.6663 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 0.0761 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 1.7470 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0567 0.2028 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 2.0178 2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9639 0.9421 3.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4062 -0.6611 2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9052 -0.1868 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -1.2577 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6327 -3.2339 3.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 -4.8289 2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 -4.4069 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7002 -2.3697 -0.7698 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 4 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 14 20 1 0 20 21 2 0 3 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 10 5 1 0 21 11 1 0 27 22 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 12 38 1 0 13 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 23 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 27 54 1 0 M END