@MOLECULE (17beta)-17-[(4-hydroxybutyl)amino]estra-1,3,5(10)-trien-3-ol 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.6646 0.8849 0.3853 O.3 1 UNL1111111111 -0.4767 2 O 9.4322 0.3451 -0.1243 O.3 1 UNL1111111111 -0.5494 3 N 3.2818 0.3574 0.3000 N.3 1 UNL1111111111 -0.5702 4 C 0.7465 0.1394 0.1133 C.3 1 UNL1111111111 0.0456 5 C -0.0915 -1.0619 -0.4195 C.3 1 UNL1111111111 -0.1417 6 C -1.5391 -0.9608 0.0504 C.3 1 UNL1111111111 -0.1154 7 C 2.1576 -0.2786 -0.4130 C.3 1 UNL1111111111 0.0241 8 C -2.1392 0.3178 -0.5939 C.3 1 UNL1111111111 -0.1097 9 C 0.1720 1.4178 -0.5071 C.3 1 UNL1111111111 -0.2996 10 C 0.7364 -2.2892 -0.0124 C.3 1 UNL1111111111 -0.2801 11 C 2.2002 -1.8227 -0.1773 C.3 1 UNL1111111111 -0.2862 12 C -1.3235 1.5549 -0.1606 C.3 1 UNL1111111111 -0.2680 13 C -2.3725 -2.1700 -0.3829 C.3 1 UNL1111111111 -0.2782 14 C 0.7599 0.2526 1.6402 C.3 1 UNL1111111111 -0.4472 15 C -3.6061 0.4383 -0.2782 C.ar 1 UNL1111111111 -0.0967 16 C -3.7687 -2.0524 0.2342 C.3 1 UNL1111111111 -0.2874 17 C -4.3641 -0.6855 0.0761 C.ar 1 UNL1111111111 0.0830 18 C 4.5167 0.3522 -0.5174 C.3 1 UNL1111111111 -0.1041 19 C -4.2455 1.6773 -0.4115 C.ar 1 UNL1111111111 -0.0988 20 C -5.7373 -0.5634 0.3148 C.ar 1 UNL1111111111 -0.3477 21 C 5.7163 0.6331 0.4071 C.3 1 UNL1111111111 -0.2759 22 C -5.6066 1.8225 -0.1818 C.ar 1 UNL1111111111 -0.2570 23 C -6.3348 0.6865 0.1811 C.ar 1 UNL1111111111 0.2937 24 C 7.0220 0.3526 -0.3385 C.3 1 UNL1111111111 -0.3293 25 C 8.2278 0.5922 0.5739 C.3 1 UNL1111111111 0.0053 26 H -0.0949 -1.0196 -1.5394 H 1 UNL1111111111 0.1367 27 H -1.5801 -0.8729 1.1609 H 1 UNL1111111111 0.1484 28 H 2.2035 -0.0715 -1.5108 H 1 UNL1111111111 0.1103 29 H -2.0518 0.2208 -1.7090 H 1 UNL1111111111 0.1467 30 H 0.3016 1.4066 -1.6047 H 1 UNL1111111111 0.1368 31 H 0.7204 2.3057 -0.1464 H 1 UNL1111111111 0.1356 32 H 0.5132 -3.1640 -0.6392 H 1 UNL1111111111 0.1321 33 H 0.5274 -2.5850 1.0285 H 1 UNL1111111111 0.1412 34 H 2.7942 -2.0475 0.7252 H 1 UNL1111111111 0.1582 35 H 2.6972 -2.3309 -1.0140 H 1 UNL1111111111 0.1281 36 H -1.4482 1.7176 0.9261 H 1 UNL1111111111 0.1474 37 H -1.7188 2.4632 -0.6531 H 1 UNL1111111111 0.1362 38 H -1.8898 -3.1112 -0.0629 H 1 UNL1111111111 0.1399 39 H -2.4392 -2.2210 -1.4853 H 1 UNL1111111111 0.1427 40 H 1.3019 -0.5868 2.0950 H 1 UNL1111111111 0.1589 41 H 1.2613 1.1682 1.9706 H 1 UNL1111111111 0.1411 42 H -0.2505 0.2625 2.0618 H 1 UNL1111111111 0.1473 43 H 3.0480 1.2957 0.6129 H 1 UNL1111111111 0.2596 44 H -3.7198 -2.2960 1.3184 H 1 UNL1111111111 0.1559 45 H -4.4371 -2.8172 -0.2125 H 1 UNL1111111111 0.1504 46 H 4.6312 -0.6535 -0.9788 H 1 UNL1111111111 0.1389 47 H 4.4871 1.0883 -1.3478 H 1 UNL1111111111 0.1096 48 H -3.6703 2.5553 -0.7092 H 1 UNL1111111111 0.1528 49 H -6.3244 -1.4302 0.5947 H 1 UNL1111111111 0.1595 50 H 5.6354 -0.0033 1.3117 H 1 UNL1111111111 0.1582 51 H 5.6861 1.6759 0.7697 H 1 UNL1111111111 0.1388 52 H -6.1058 2.7815 -0.2812 H 1 UNL1111111111 0.1743 53 H 7.1052 0.9959 -1.2362 H 1 UNL1111111111 0.1528 54 H 7.0344 -0.6877 -0.7144 H 1 UNL1111111111 0.1408 55 H -8.1297 0.0543 0.6426 H 1 UNL1111111111 0.3249 56 H 8.3304 1.6545 0.8644 H 1 UNL1111111111 0.1410 57 H 8.2005 -0.0373 1.4801 H 1 UNL1111111111 0.1138 58 H 9.4596 -0.5720 -0.4572 H 1 UNL1111111111 0.3089 @BOND 1 1 23 1 2 1 55 1 3 2 25 1 4 2 58 1 5 3 7 1 6 3 18 1 7 3 43 1 8 4 5 1 9 4 7 1 10 4 9 1 11 4 14 1 12 5 6 1 13 5 10 1 14 5 26 1 15 6 8 1 16 6 13 1 17 6 27 1 18 7 11 1 19 7 28 1 20 8 12 1 21 8 15 1 22 8 29 1 23 9 12 1 24 9 30 1 25 9 31 1 26 10 11 1 27 10 32 1 28 10 33 1 29 11 34 1 30 11 35 1 31 12 36 1 32 12 37 1 33 13 16 1 34 13 38 1 35 13 39 1 36 14 40 1 37 14 41 1 38 14 42 1 39 15 17 ar 40 15 19 ar 41 16 17 1 42 16 44 1 43 16 45 1 44 17 20 ar 45 18 21 1 46 18 46 1 47 18 47 1 48 19 22 ar 49 19 48 1 50 20 23 ar 51 20 49 1 52 21 24 1 53 21 50 1 54 21 51 1 55 22 23 ar 56 22 52 1 57 24 25 1 58 24 53 1 59 24 54 1 60 25 56 1 61 25 57 1