@MOLECULE (17beta)-17-[(3-hydroxypropyl)amino]estra-1,3,5(10)-trien-3-ol 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.2348 0.0333 -0.0002 O.3 1 UNL1111111111 -0.4779 2 O -7.5102 -0.3351 0.9927 O.3 1 UNL1111111111 -0.5540 3 N -3.6030 0.3256 -0.4448 N.3 1 UNL1111111111 -0.5664 4 C -1.1663 -0.1601 -0.7186 C.3 1 UNL1111111111 0.0705 5 C -0.6437 0.3704 0.6402 C.3 1 UNL1111111111 -0.1385 6 C 0.8788 0.5441 0.7579 C.3 1 UNL1111111111 -0.1155 7 C -2.5840 -0.7374 -0.3542 C.3 1 UNL1111111111 0.0289 8 C 1.6524 -0.6584 0.1827 C.3 1 UNL1111111111 -0.1036 9 C -0.3076 -1.3289 -1.2431 C.3 1 UNL1111111111 -0.2933 10 C -1.1846 -0.6232 1.6958 C.3 1 UNL1111111111 -0.2773 11 C -2.4177 -1.3057 1.0821 C.3 1 UNL1111111111 -0.3346 12 C 1.1836 -0.9897 -1.2464 C.3 1 UNL1111111111 -0.2650 13 C 1.3451 1.8415 0.0801 C.3 1 UNL1111111111 -0.2733 14 C -1.2664 0.9305 -1.7833 C.3 1 UNL1111111111 -0.4498 15 C 3.1349 -0.4073 0.1687 C.ar 1 UNL1111111111 -0.1014 16 C 2.8194 2.0982 0.4057 C.3 1 UNL1111111111 -0.2886 17 C 3.6745 0.8801 0.2358 C.ar 1 UNL1111111111 0.0871 18 C -4.9845 -0.2073 -0.3783 C.3 1 UNL1111111111 -0.0979 19 C 3.9877 -1.5143 0.0632 C.ar 1 UNL1111111111 -0.0978 20 C 5.0612 1.0610 0.1804 C.ar 1 UNL1111111111 -0.3496 21 C -5.9677 0.9620 -0.1988 C.3 1 UNL1111111111 -0.3053 22 C 5.3650 -1.3588 0.0077 C.ar 1 UNL1111111111 -0.2578 23 C 5.8790 -0.0592 0.0634 C.ar 1 UNL1111111111 0.2943 24 C -7.4071 0.4481 -0.1893 C.3 1 UNL1111111111 0.0030 25 H -1.1160 1.3657 0.8231 H 1 UNL1111111111 0.1326 26 H 1.1290 0.6201 1.8473 H 1 UNL1111111111 0.1377 27 H -2.8634 -1.5409 -1.0732 H 1 UNL1111111111 0.1333 28 H 1.4393 -1.5440 0.8354 H 1 UNL1111111111 0.1411 29 H -0.6350 -1.6011 -2.2633 H 1 UNL1111111111 0.1368 30 H -0.4750 -2.2274 -0.6182 H 1 UNL1111111111 0.1395 31 H -1.4349 -0.1012 2.6320 H 1 UNL1111111111 0.1325 32 H -0.4199 -1.3734 1.9590 H 1 UNL1111111111 0.1400 33 H -3.3195 -1.1290 1.6891 H 1 UNL1111111111 0.1430 34 H -2.2882 -2.3988 1.0510 H 1 UNL1111111111 0.1396 35 H 1.3928 -0.1405 -1.9224 H 1 UNL1111111111 0.1443 36 H 1.7657 -1.8397 -1.6482 H 1 UNL1111111111 0.1348 37 H 0.7278 2.6965 0.4094 H 1 UNL1111111111 0.1354 38 H 1.2050 1.7715 -1.0153 H 1 UNL1111111111 0.1491 39 H -0.2880 1.1882 -2.1991 H 1 UNL1111111111 0.1395 40 H -1.9112 0.6069 -2.6108 H 1 UNL1111111111 0.1548 41 H -1.7175 1.8476 -1.3877 H 1 UNL1111111111 0.1489 42 H 3.1977 2.9278 -0.2265 H 1 UNL1111111111 0.1490 43 H 2.9151 2.4558 1.4546 H 1 UNL1111111111 0.1551 44 H -3.4469 1.0352 0.2687 H 1 UNL1111111111 0.2570 45 H -5.1320 -0.9471 0.4395 H 1 UNL1111111111 0.1319 46 H -5.1837 -0.7368 -1.3357 H 1 UNL1111111111 0.1370 47 H 3.5610 -2.5171 0.0229 H 1 UNL1111111111 0.1519 48 H 5.4868 2.0561 0.2294 H 1 UNL1111111111 0.1594 49 H -5.8281 1.7041 -1.0076 H 1 UNL1111111111 0.1550 50 H -5.7597 1.4904 0.7528 H 1 UNL1111111111 0.1539 51 H 6.0368 -2.2072 -0.0765 H 1 UNL1111111111 0.1737 52 H -8.1363 1.2757 -0.1330 H 1 UNL1111111111 0.1108 53 H -7.6317 -0.1884 -1.0628 H 1 UNL1111111111 0.1128 54 H 7.5451 0.9685 0.0425 H 1 UNL1111111111 0.3246 55 H -8.4099 -0.6976 1.0846 H 1 UNL1111111111 0.3087 @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