HMDB0061087 RDKit 3D 3,4-Dihydroxy-tamoxifen 59 61 0 0 0 0 0 0 0 0999 V2000 -5.1410 -0.4961 -0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4185 0.2816 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 0.5384 -0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 0.0939 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 0.3728 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2291 1.6500 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 1.9713 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 0.9796 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 1.3087 -0.6756 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2895 0.2452 -0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 0.7682 -1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6337 -0.2957 -0.9829 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4084 -1.2638 -2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7490 -0.9279 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.3160 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -0.6127 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.7296 1.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 -1.8273 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -2.6189 2.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 -2.3037 4.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -3.0751 5.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9962 -1.1942 4.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -0.8795 5.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -0.4143 3.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6542 1.2637 -1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 0.8413 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 1.5263 -3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 2.7083 -3.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 3.1886 -2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 2.4487 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0596 0.0311 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5404 -0.6982 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5027 -1.4504 -0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8698 1.3330 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -0.0798 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 2.4586 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 3.0046 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -0.2159 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 -0.5033 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 1.2122 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9737 1.5555 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6019 -2.0033 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1861 -0.7204 -2.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 -1.8729 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 -1.6120 0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 -0.1502 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6961 -1.5307 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 -1.0786 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -1.6305 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 -2.1642 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 -3.4917 2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6922 -3.8829 5.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6313 -1.4336 6.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 0.4485 3.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1963 -0.0758 -2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 1.1484 -4.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 3.2538 -4.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 4.1149 -3.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 2.8020 -0.9901 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 2 0 4 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 3 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 16 5 1 0 24 17 1 0 30 25 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 6 36 1 0 7 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 18 50 1 0 19 51 1 0 21 52 1 0 23 53 1 0 24 54 1 0 26 55 1 0 27 56 1 0 28 57 1 0 29 58 1 0 30 59 1 0 M END