@MOLECULE 21-hydroxy-10-(2-propynyl)-19-norpregn-4-ene-3,20-dione 56 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.3835 -0.4805 0.5652 O.2 1 UNL1111 -0.4522 2 O -5.5129 0.8172 -2.0808 O.2 1 UNL1111 -0.4584 3 O 6.0059 2.1084 0.3955 O.3 1 UNL1111 -0.5224 4 C 1.1876 -1.1312 -0.6192 C.3 1 UNL1111 -0.1382 5 C 2.1478 -0.0308 -0.0801 C.3 1 UNL1111 0.0904 6 C -0.1607 -1.0845 0.0991 C.3 1 UNL1111 -0.1266 7 C -0.8026 0.2951 -0.2243 C.3 1 UNL1111 -0.1339 8 C -2.2182 0.4089 0.4165 C.3 1 UNL1111 0.0293 9 C 3.4550 -0.3995 -0.8484 C.3 1 UNL1111 -0.2559 10 C 1.5318 1.3264 -0.4381 C.3 1 UNL1111 -0.3014 11 C 0.1316 1.4454 0.1931 C.3 1 UNL1111 -0.2713 12 C 2.0229 -2.4146 -0.5262 C.3 1 UNL1111 -0.2805 13 C -1.0622 -2.2361 -0.3695 C.3 1 UNL1111 -0.2756 14 C 3.4570 -1.9511 -0.8748 C.3 1 UNL1111 -0.2579 15 C -3.0019 -0.7672 -0.1300 C.2 1 UNL1111 0.1114 16 C 2.4072 -0.1159 1.4272 C.3 1 UNL1111 -0.4679 17 C -2.4660 -2.1144 0.2426 C.3 1 UNL1111 -0.3025 18 C -2.9051 1.7494 0.0635 C.3 1 UNL1111 -0.2816 19 C -2.1412 0.3358 1.9691 C.3 1 UNL1111 -0.2639 20 C 4.6808 0.1580 -0.1802 C.2 1 UNL1111 0.4242 21 C -3.4619 1.7807 -1.3568 C.3 1 UNL1111 -0.3836 22 C -4.0299 -0.6438 -0.9804 C.2 1 UNL1111 -0.3660 23 C -4.4589 0.6550 -1.5155 C.2 1 UNL1111 0.4932 24 C 5.0458 1.5966 -0.4979 C.3 1 UNL1111 -0.1176 25 C -3.4320 0.1369 2.5611 C.1 1 UNL1111 -0.0720 26 C -4.5225 -0.0338 3.0581 C.1 1 UNL1111 -0.2133 27 H 0.9994 -0.9312 -1.7057 H 1 UNL1111 0.1392 28 H -0.0055 -1.1791 1.1985 H 1 UNL1111 0.1428 29 H -0.9437 0.3541 -1.3330 H 1 UNL1111 0.1460 30 H 3.3902 -0.0142 -1.8912 H 1 UNL1111 0.1551 31 H 1.4603 1.4451 -1.5346 H 1 UNL1111 0.1395 32 H 2.1676 2.1568 -0.0803 H 1 UNL1111 0.1409 33 H 0.2253 1.4829 1.2941 H 1 UNL1111 0.1429 34 H -0.3113 2.4150 -0.1075 H 1 UNL1111 0.1406 35 H 1.6662 -3.1931 -1.2158 H 1 UNL1111 0.1361 36 H 1.9803 -2.8507 0.4852 H 1 UNL1111 0.1439 37 H -0.6112 -3.2063 -0.0905 H 1 UNL1111 0.1446 38 H -1.1349 -2.2418 -1.4740 H 1 UNL1111 0.1467 39 H 4.1840 -2.3594 -0.1483 H 1 UNL1111 0.1639 40 H 3.7676 -2.3228 -1.8627 H 1 UNL1111 0.1365 41 H 3.0162 0.7253 1.7790 H 1 UNL1111 0.1518 42 H 1.4806 -0.1078 2.0097 H 1 UNL1111 0.1505 43 H 2.9461 -1.0358 1.6923 H 1 UNL1111 0.1637 44 H -2.4326 -2.2443 1.3425 H 1 UNL1111 0.1604 45 H -3.1147 -2.9346 -0.1244 H 1 UNL1111 0.1561 46 H -2.2101 2.5944 0.2204 H 1 UNL1111 0.1454 47 H -3.7407 1.9265 0.7769 H 1 UNL1111 0.1617 48 H -1.6737 1.2720 2.3565 H 1 UNL1111 0.1661 49 H -1.4451 -0.4790 2.2810 H 1 UNL1111 0.1680 50 H -2.6597 1.6713 -2.1118 H 1 UNL1111 0.1648 51 H -3.9429 2.7561 -1.5709 H 1 UNL1111 0.1725 52 H -4.5961 -1.4993 -1.3455 H 1 UNL1111 0.1805 53 H 4.1823 2.2830 -0.3989 H 1 UNL1111 0.1586 54 H 5.4654 1.6833 -1.5205 H 1 UNL1111 0.1511 55 H 6.4922 1.3674 0.8346 H 1 UNL1111 0.3358 56 H -5.4499 -0.1794 3.4762 H 1 UNL1111 0.1884 @BOND 1 1 20 2 2 2 23 2 3 3 24 1 4 3 55 1 5 4 5 1 6 4 6 1 7 4 12 1 8 4 27 1 9 5 9 1 10 5 10 1 11 5 16 1 12 6 7 1 13 6 13 1 14 6 28 1 15 7 8 1 16 7 11 1 17 7 29 1 18 8 15 1 19 8 18 1 20 8 19 1 21 9 14 1 22 9 20 1 23 9 30 1 24 10 11 1 25 10 31 1 26 10 32 1 27 11 33 1 28 11 34 1 29 12 14 1 30 12 35 1 31 12 36 1 32 13 17 1 33 13 37 1 34 13 38 1 35 14 39 1 36 14 40 1 37 15 17 1 38 15 22 2 39 16 41 1 40 16 42 1 41 16 43 1 42 17 44 1 43 17 45 1 44 18 21 1 45 18 46 1 46 18 47 1 47 19 25 1 48 19 48 1 49 19 49 1 50 20 24 1 51 21 23 1 52 21 50 1 53 21 51 1 54 22 23 1 55 22 52 1 56 24 53 1 57 24 54 1 58 25 26 3 59 26 56 1