HMDB0014679 RDKit 3D Toremifene 57 59 0 0 0 0 0 0 0 0999 V2000 6.2621 -1.7084 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -0.5871 0.6062 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6808 -0.3055 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 -0.5433 1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 -0.2680 0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -0.1994 1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6807 0.0563 1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 0.1374 2.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 0.3893 1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 0.5669 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1689 0.8338 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2234 0.1702 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 0.4658 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0346 -0.7800 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6239 -0.4724 -2.2105 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1152 -0.9363 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -1.1404 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 -2.2237 2.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8576 -3.1432 2.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 -2.9716 1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1317 -1.8729 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 1.8711 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 1.6847 -2.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 2.6726 -3.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 3.9217 -3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8117 4.1269 -2.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 3.1234 -1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.4893 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5134 0.2373 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9697 -2.6286 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 -1.4870 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 -1.8703 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6919 -0.3437 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 -0.9385 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9433 0.7588 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5733 0.2613 2.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2905 -1.4830 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1152 0.7153 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8774 -1.0250 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 0.0026 3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 0.4485 2.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2544 0.6445 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6101 1.2778 -1.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0955 -1.6515 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 -1.1161 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7394 -0.4372 2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -2.3749 3.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 -4.0031 3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -3.6947 1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -1.8159 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 0.6803 -3.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 2.4641 -4.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 4.6977 -4.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 5.1493 -1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 3.3844 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2325 0.6173 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 0.1732 -0.7241 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 11 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 10 28 1 0 28 29 2 0 29 7 1 0 21 16 1 0 27 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 8 40 1 0 9 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 M END