@MOLECULE tamoxifen 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.6658 -0.4753 1.7273 C.3 1 UNL1111 -0.4260 2 C -4.3492 -0.7399 0.2530 C.3 1 UNL1111 -0.2598 3 O 3.4176 0.2445 -0.8871 O.3 1 UNL1111 -0.3594 4 C 4.3317 0.1286 0.2063 C.3 1 UNL1111 -0.0423 5 C 5.6974 0.3968 -0.4583 C.3 1 UNL1111 -0.1457 6 C 2.0926 0.2288 -0.5872 C.ar 1 UNL1111 0.2641 7 C 1.2793 0.5614 -1.6832 C.ar 1 UNL1111 -0.2428 8 C -0.0955 0.5872 -1.5097 C.ar 1 UNL1111 -0.0849 9 C 0.1673 -0.0667 0.8087 C.ar 1 UNL1111 -0.0779 10 C 1.5522 -0.0922 0.6577 C.ar 1 UNL1111 -0.2915 11 C -0.6547 0.2777 -0.2638 C.ar 1 UNL1111 -0.0741 12 C -2.1114 0.3269 -0.0822 C.2 1 UNL1111 -0.0684 13 C -2.6662 1.6871 -0.0206 C.ar 1 UNL1111 0.0254 14 C -2.5039 2.4484 1.1394 C.ar 1 UNL1111 -0.1604 15 C -3.0257 3.7379 1.1993 C.ar 1 UNL1111 -0.1407 16 C -3.7029 4.2698 0.1030 C.ar 1 UNL1111 -0.1613 17 C -3.8563 3.5122 -1.0569 C.ar 1 UNL1111 -0.1411 18 C -3.3395 2.2206 -1.1219 C.ar 1 UNL1111 -0.1671 19 C -1.5460 -4.1651 1.0025 C.ar 1 UNL1111 -0.1452 20 C -1.1541 -4.6663 -0.2375 C.ar 1 UNL1111 -0.1566 21 C -1.3216 -3.8943 -1.3862 C.ar 1 UNL1111 -0.1412 22 C -1.8819 -2.6230 -1.2976 C.ar 1 UNL1111 -0.1515 23 C -2.2759 -2.1219 -0.0542 C.ar 1 UNL1111 0.0015 24 C -2.1064 -2.8935 1.0969 C.ar 1 UNL1111 -0.1601 25 C -2.8663 -0.7776 0.0336 C.2 1 UNL1111 -0.0060 26 N 6.6592 0.7110 0.6239 N.3 1 UNL1111 -0.3841 27 C 7.1670 -0.5231 1.2607 C.3 1 UNL1111 -0.2831 28 C 7.7807 1.5265 0.1110 C.3 1 UNL1111 -0.2805 29 H -4.2312 0.4768 2.0592 H 1 UNL1111 0.1516 30 H -5.7465 -0.4204 1.8954 H 1 UNL1111 0.1415 31 H -4.2676 -1.2662 2.3719 H 1 UNL1111 0.1434 32 H -4.8183 -1.6913 -0.0706 H 1 UNL1111 0.1490 33 H -4.8118 0.0495 -0.3765 H 1 UNL1111 0.1529 34 H 4.1060 0.8896 0.9754 H 1 UNL1111 0.1483 35 H 4.2582 -0.8845 0.6307 H 1 UNL1111 0.1255 36 H 5.9983 -0.4591 -1.0942 H 1 UNL1111 0.1280 37 H 5.5943 1.2724 -1.1393 H 1 UNL1111 0.1571 38 H 1.7358 0.7966 -2.6402 H 1 UNL1111 0.1696 39 H -0.7477 0.8531 -2.3410 H 1 UNL1111 0.1543 40 H -0.2777 -0.3207 1.7702 H 1 UNL1111 0.1518 41 H 2.1804 -0.3629 1.4983 H 1 UNL1111 0.1621 42 H -1.9651 2.0320 1.9882 H 1 UNL1111 0.1564 43 H -2.9014 4.3319 2.1021 H 1 UNL1111 0.1475 44 H -4.1084 5.2773 0.1517 H 1 UNL1111 0.1463 45 H -4.3795 3.9308 -1.9138 H 1 UNL1111 0.1461 46 H -3.4554 1.6273 -2.0262 H 1 UNL1111 0.1546 47 H -1.4120 -4.7665 1.8989 H 1 UNL1111 0.1461 48 H -0.7145 -5.6581 -0.3090 H 1 UNL1111 0.1467 49 H -1.0084 -4.2830 -2.3530 H 1 UNL1111 0.1485 50 H -2.0039 -2.0128 -2.1903 H 1 UNL1111 0.1569 51 H -2.4075 -2.4983 2.0644 H 1 UNL1111 0.1527 52 H 7.8440 -0.2478 2.0865 H 1 UNL1111 0.1452 53 H 6.3216 -1.0731 1.7061 H 1 UNL1111 0.1451 54 H 7.7060 -1.2004 0.5821 H 1 UNL1111 0.1200 55 H 7.3823 2.4672 -0.3054 H 1 UNL1111 0.1482 56 H 8.4363 1.8012 0.9543 H 1 UNL1111 0.1460 57 H 8.3924 1.0329 -0.6579 H 1 UNL1111 0.1193 @BOND 1 1 2 1 2 1 29 1 3 1 30 1 4 1 31 1 5 2 25 1 6 2 32 1 7 2 33 1 8 3 4 1 9 3 6 1 10 4 5 1 11 4 34 1 12 4 35 1 13 5 26 1 14 5 36 1 15 5 37 1 16 6 7 ar 17 6 10 ar 18 7 8 ar 19 7 38 1 20 8 11 ar 21 8 39 1 22 9 10 ar 23 9 11 ar 24 9 40 1 25 10 41 1 26 11 12 1 27 12 13 1 28 12 25 2 29 13 14 ar 30 13 18 ar 31 14 15 ar 32 14 42 1 33 15 16 ar 34 15 43 1 35 16 17 ar 36 16 44 1 37 17 18 ar 38 17 45 1 39 18 46 1 40 19 20 ar 41 19 24 ar 42 19 47 1 43 20 21 ar 44 20 48 1 45 21 22 ar 46 21 49 1 47 22 23 ar 48 22 50 1 49 23 24 ar 50 23 25 1 51 24 51 1 52 26 27 1 53 26 28 1 54 27 52 1 55 27 53 1 56 27 54 1 57 28 55 1 58 28 56 1 59 28 57 1