@MOLECULE (3alpha,5beta,17alpha)-19-norpregnane-3,17-diol 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5566 0.4042 1.6252 O.3 1 UNL111111111 -0.5732 2 O 5.4749 0.3271 1.3144 O.3 1 UNL111111111 -0.5636 3 C -2.1628 0.3919 -0.3616 C.3 1 UNL111111111 0.0079 4 C -1.3945 -0.8326 0.2105 C.3 1 UNL111111111 -0.1342 5 C 0.0342 -0.8885 -0.3251 C.3 1 UNL111111111 -0.1207 6 C 0.7650 0.3959 0.1529 C.3 1 UNL111111111 -0.1260 7 C -3.5838 0.1192 0.2360 C.3 1 UNL111111111 0.2848 8 C 2.2149 0.3868 -0.3833 C.3 1 UNL111111111 -0.1300 9 C -1.4640 1.6581 0.1387 C.3 1 UNL111111111 -0.2875 10 C 0.0097 1.6589 -0.3086 C.3 1 UNL111111111 -0.2758 11 C -2.3377 -2.0142 -0.0693 C.3 1 UNL111111111 -0.2765 12 C 2.9485 -0.8835 0.1051 C.3 1 UNL111111111 -0.0973 13 C 0.7661 -2.1326 0.1978 C.3 1 UNL111111111 -0.2816 14 C -3.7456 -1.4238 0.1772 C.3 1 UNL111111111 -0.3022 15 C 2.2000 -2.1514 -0.3372 C.3 1 UNL111111111 -0.2856 16 C -2.2446 0.4021 -1.8924 C.3 1 UNL111111111 -0.4577 17 C 2.9934 1.6243 0.0976 C.3 1 UNL111111111 -0.2779 18 C 4.3812 -0.9211 -0.4479 C.3 1 UNL111111111 -0.3529 19 C -4.7241 0.9083 -0.4174 C.3 1 UNL111111111 -0.3232 20 C 4.4259 1.6200 -0.4427 C.3 1 UNL111111111 -0.3324 21 C 5.1742 0.3348 -0.0640 C.3 1 UNL111111111 0.1696 22 C -6.0446 0.6918 0.3188 C.3 1 UNL111111111 -0.4266 23 H -1.3403 -0.7097 1.3257 H 1 UNL111111111 0.1570 24 H 0.0263 -0.9176 -1.4376 H 1 UNL111111111 0.1374 25 H 0.7928 0.3912 1.2677 H 1 UNL111111111 0.1385 26 H 2.1872 0.3843 -1.4964 H 1 UNL111111111 0.1369 27 H -1.5098 1.7089 1.2440 H 1 UNL111111111 0.1447 28 H -1.9720 2.5626 -0.2377 H 1 UNL111111111 0.1314 29 H 0.0699 1.7507 -1.4082 H 1 UNL111111111 0.1379 30 H 0.5032 2.5610 0.0998 H 1 UNL111111111 0.1340 31 H -2.1336 -2.8659 0.5957 H 1 UNL111111111 0.1364 32 H -2.2295 -2.3847 -1.0998 H 1 UNL111111111 0.1345 33 H 2.9882 -0.8673 1.2202 H 1 UNL111111111 0.1318 34 H 0.2296 -3.0466 -0.1160 H 1 UNL111111111 0.1374 35 H 0.7653 -2.1445 1.3033 H 1 UNL111111111 0.1417 36 H -4.4533 -1.7223 -0.6069 H 1 UNL111111111 0.1385 37 H -4.1610 -1.7811 1.1372 H 1 UNL111111111 0.1617 38 H 2.7304 -3.0504 0.0264 H 1 UNL111111111 0.1363 39 H 2.1929 -2.2273 -1.4400 H 1 UNL111111111 0.1370 40 H -2.8095 -0.4554 -2.2735 H 1 UNL111111111 0.1469 41 H -2.7225 1.3155 -2.2606 H 1 UNL111111111 0.1413 42 H -1.2487 0.3546 -2.3486 H 1 UNL111111111 0.1518 43 H 2.9986 1.6656 1.2023 H 1 UNL111111111 0.1358 44 H 2.4846 2.5497 -0.2329 H 1 UNL111111111 0.1379 45 H 4.9088 -1.8142 -0.0603 H 1 UNL111111111 0.1525 46 H 4.3649 -1.0256 -1.5476 H 1 UNL111111111 0.1457 47 H -4.8338 0.6107 -1.4774 H 1 UNL111111111 0.1491 48 H -4.4695 1.9849 -0.4335 H 1 UNL111111111 0.1391 49 H 4.4180 1.7318 -1.5423 H 1 UNL111111111 0.1439 50 H 4.9803 2.4933 -0.0472 H 1 UNL111111111 0.1508 51 H 6.1950 0.3171 -0.5127 H 1 UNL111111111 0.1319 52 H -3.5824 1.3636 1.7896 H 1 UNL111111111 0.3110 53 H -6.3823 -0.3479 0.2374 H 1 UNL111111111 0.1445 54 H -5.9471 0.9086 1.3906 H 1 UNL111111111 0.1542 55 H -6.8359 1.3325 -0.0833 H 1 UNL111111111 0.1373 56 H 4.6599 0.3442 1.8520 H 1 UNL111111111 0.3155 @BOND 1 1 7 1 2 1 52 1 3 2 21 1 4 2 56 1 5 3 4 1 6 3 7 1 7 3 9 1 8 3 16 1 9 4 5 1 10 4 11 1 11 4 23 1 12 5 6 1 13 5 13 1 14 5 24 1 15 6 8 1 16 6 10 1 17 6 25 1 18 7 14 1 19 7 19 1 20 8 12 1 21 8 17 1 22 8 26 1 23 9 10 1 24 9 27 1 25 9 28 1 26 10 29 1 27 10 30 1 28 11 14 1 29 11 31 1 30 11 32 1 31 12 15 1 32 12 18 1 33 12 33 1 34 13 15 1 35 13 34 1 36 13 35 1 37 14 36 1 38 14 37 1 39 15 38 1 40 15 39 1 41 16 40 1 42 16 41 1 43 16 42 1 44 17 20 1 45 17 43 1 46 17 44 1 47 18 21 1 48 18 45 1 49 18 46 1 50 19 22 1 51 19 47 1 52 19 48 1 53 20 21 1 54 20 49 1 55 20 50 1 56 21 51 1 57 22 53 1 58 22 54 1 59 22 55 1