@MOLECULE (17beta)-17-[(3-hydroxypropyl)amino]estra-1,3,5(10)-trien-3-ol 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.2062 -0.9347 -0.5046 O.3 1 UNL1111111111 -0.4769 2 O 8.4248 -0.8225 -0.6229 O.3 1 UNL1111111111 -0.5484 3 N 3.6875 -0.3558 -0.2490 N.3 1 UNL1111111111 -0.5631 4 C 1.1617 -0.1190 -0.0504 C.3 1 UNL1111111111 0.0455 5 C 0.3241 1.1006 0.4372 C.3 1 UNL1111111111 -0.1425 6 C -1.1232 0.9780 -0.0281 C.3 1 UNL1111111111 -0.1147 7 C 2.5757 0.3200 0.4478 C.3 1 UNL1111111111 0.0248 8 C -1.7240 -0.2830 0.6497 C.3 1 UNL1111111111 -0.1099 9 C 0.5960 -1.3721 0.6264 C.3 1 UNL1111111111 -0.3003 10 C 1.1507 2.3117 -0.0208 C.3 1 UNL1111111111 -0.2816 11 C 2.6166 1.8510 0.1406 C.3 1 UNL1111111111 -0.2861 12 C -0.8960 -1.5325 0.2798 C.3 1 UNL1111111111 -0.2680 13 C -1.9630 2.1948 0.3717 C.3 1 UNL1111111111 -0.2786 14 C 1.1655 -0.2942 -1.5717 C.3 1 UNL1111111111 -0.4464 15 C -3.1810 -0.4249 0.3020 C.ar 1 UNL1111111111 -0.0967 16 C -3.3581 2.0584 -0.2444 C.3 1 UNL1111111111 -0.2875 17 C -3.9411 0.6856 -0.0889 C.ar 1 UNL1111111111 0.0832 18 C 4.9413 -0.2939 0.5358 C.3 1 UNL1111111111 -0.1065 19 C -3.8106 -1.6697 0.4314 C.ar 1 UNL1111111111 -0.0988 20 C -5.3038 0.5425 -0.3723 C.ar 1 UNL1111111111 -0.3480 21 C 6.1036 -0.7291 -0.3693 C.3 1 UNL1111111111 -0.3035 22 C -5.1609 -1.8356 0.1577 C.ar 1 UNL1111111111 -0.2570 23 C -5.8892 -0.7137 -0.2471 C.ar 1 UNL1111111111 0.2937 24 C 7.4361 -0.4630 0.3322 C.3 1 UNL1111111111 0.0009 25 H 0.3218 1.1024 1.5572 H 1 UNL1111111111 0.1358 26 H -1.1637 0.8591 -1.1357 H 1 UNL1111111111 0.1492 27 H 2.6311 0.1639 1.5529 H 1 UNL1111111111 0.1083 28 H -1.6614 -0.1452 1.7615 H 1 UNL1111111111 0.1462 29 H 0.7209 -1.3090 1.7227 H 1 UNL1111111111 0.1359 30 H 1.1517 -2.2719 0.3091 H 1 UNL1111111111 0.1360 31 H 0.9359 3.2076 0.5781 H 1 UNL1111111111 0.1315 32 H 0.9288 2.5732 -1.0680 H 1 UNL1111111111 0.1420 33 H 3.1947 2.0324 -0.7825 H 1 UNL1111111111 0.1605 34 H 3.1281 2.3967 0.9436 H 1 UNL1111111111 0.1270 35 H -1.0145 -1.7471 -0.7989 H 1 UNL1111111111 0.1483 36 H -1.2884 -2.4184 0.8131 H 1 UNL1111111111 0.1357 37 H -1.4826 3.1289 0.0283 H 1 UNL1111111111 0.1399 38 H -2.0331 2.2762 1.4742 H 1 UNL1111111111 0.1422 39 H 0.1529 -0.3241 -1.9868 H 1 UNL1111111111 0.1467 40 H 1.7026 0.5274 -2.0639 H 1 UNL1111111111 0.1598 41 H 1.6687 -1.2208 -1.8676 H 1 UNL1111111111 0.1429 42 H -3.3124 2.3043 -1.3285 H 1 UNL1111111111 0.1558 43 H -4.0365 2.8145 0.2027 H 1 UNL1111111111 0.1505 44 H 3.4521 -1.3131 -0.4939 H 1 UNL1111111111 0.2605 45 H 5.0955 0.7595 0.8637 H 1 UNL1111111111 0.1390 46 H 4.9068 -0.9194 1.4531 H 1 UNL1111111111 0.1073 47 H -3.2358 -2.5367 0.7609 H 1 UNL1111111111 0.1529 48 H -5.8924 1.3986 -0.6811 H 1 UNL1111111111 0.1595 49 H 6.0222 -1.7955 -0.6482 H 1 UNL1111111111 0.1532 50 H 6.0655 -0.1776 -1.3328 H 1 UNL1111111111 0.1756 51 H -5.6518 -2.7991 0.2529 H 1 UNL1111111111 0.1742 52 H 7.5657 -1.0888 1.2322 H 1 UNL1111111111 0.1077 53 H 7.5627 0.6026 0.5941 H 1 UNL1111111111 0.1106 54 H -7.6734 -0.1131 -0.7841 H 1 UNL1111111111 0.3247 55 H 9.3169 -0.6784 -0.2583 H 1 UNL1111111111 0.3071 @BOND 1 1 23 1 2 1 54 1 3 2 24 1 4 2 55 1 5 3 7 1 6 3 18 1 7 3 44 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 25 1 15 6 8 1 16 6 13 1 17 6 26 1 18 7 11 1 19 7 27 1 20 8 12 1 21 8 15 1 22 8 28 1 23 9 12 1 24 9 29 1 25 9 30 1 26 10 11 1 27 10 31 1 28 10 32 1 29 11 33 1 30 11 34 1 31 12 35 1 32 12 36 1 33 13 16 1 34 13 37 1 35 13 38 1 36 14 39 1 37 14 40 1 38 14 41 1 39 15 17 ar 40 15 19 ar 41 16 17 1 42 16 42 1 43 16 43 1 44 17 20 ar 45 18 21 1 46 18 45 1 47 18 46 1 48 19 22 ar 49 19 47 1 50 20 23 ar 51 20 48 1 52 21 24 1 53 21 49 1 54 21 50 1 55 22 23 ar 56 22 51 1 57 24 52 1 58 24 53 1