@MOLECULE 21-hydroxy-2,2-dimethyl-19-norpregn-4-ene-3,20-dione 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4198 0.0281 0.8608 O.2 1 UNL1111111111 -0.4532 2 O 6.0825 0.0619 -0.7787 O.2 1 UNL1111111111 -0.4592 3 O -6.0777 -2.4293 0.0763 O.3 1 UNL1111111111 -0.5254 4 C -2.2606 0.0303 -0.0392 C.3 1 UNL1111111111 0.0916 5 C -1.4279 1.2781 -0.4567 C.3 1 UNL1111111111 -0.1401 6 C -0.0500 1.2531 0.2012 C.3 1 UNL1111111111 -0.1273 7 C 0.6985 0.0023 -0.3250 C.3 1 UNL1111111111 -0.1176 8 C -3.6343 0.3789 -0.6916 C.3 1 UNL1111111111 -0.2554 9 C -1.5560 -1.2006 -0.6165 C.3 1 UNL1111111111 -0.3006 10 C -2.3645 2.4555 -0.1561 C.3 1 UNL1111111111 -0.2800 11 C -0.1168 -1.2823 -0.0765 C.3 1 UNL1111111111 -0.2757 12 C 2.0881 -0.1022 0.3542 C.3 1 UNL1111111111 -0.1529 13 C -3.7750 1.9098 -0.4838 C.3 1 UNL1111111111 -0.2560 14 C 0.7583 2.5062 -0.1544 C.3 1 UNL1111111111 -0.2760 15 C -2.4392 -0.1198 1.4746 C.3 1 UNL1111111111 -0.4683 16 C 2.8583 1.1819 0.2125 C.2 1 UNL1111111111 0.1169 17 C 2.1251 2.4487 0.5328 C.3 1 UNL1111111111 -0.3002 18 C 2.8573 -1.2972 -0.2405 C.3 1 UNL1111111111 -0.2974 19 C -4.7675 -0.3855 -0.0668 C.2 1 UNL1111111111 0.4248 20 C 4.3490 -1.3129 0.1316 C.3 1 UNL1111111111 -0.0043 21 C 4.1616 1.2197 -0.1017 C.2 1 UNL1111111111 -0.3758 22 C 4.9706 0.0116 -0.3113 C.2 1 UNL1111111111 0.4654 23 C -5.0989 -1.7398 -0.6655 C.3 1 UNL1111111111 -0.1171 24 C 5.0411 -2.4712 -0.5918 C.3 1 UNL1111111111 -0.4484 25 C 4.5566 -1.4414 1.6443 C.3 1 UNL1111111111 -0.4500 26 H -1.2750 1.2437 -1.5662 H 1 UNL1111111111 0.1395 27 H -0.1548 1.1911 1.3082 H 1 UNL1111111111 0.1445 28 H 0.8499 0.1209 -1.4248 H 1 UNL1111111111 0.1423 29 H -3.5873 0.1596 -1.7823 H 1 UNL1111111111 0.1544 30 H -1.5398 -1.1573 -1.7209 H 1 UNL1111111111 0.1398 31 H -2.1005 -2.1257 -0.3532 H 1 UNL1111111111 0.1400 32 H -2.1203 3.3420 -0.7587 H 1 UNL1111111111 0.1356 33 H -2.2938 2.7655 0.8991 H 1 UNL1111111111 0.1435 34 H -0.1387 -1.5068 1.0067 H 1 UNL1111111111 0.1433 35 H 0.3899 -2.1434 -0.5531 H 1 UNL1111111111 0.1393 36 H 1.9355 -0.2816 1.4508 H 1 UNL1111111111 0.1569 37 H -4.4776 2.1343 0.3400 H 1 UNL1111111111 0.1625 38 H -4.1903 2.3887 -1.3830 H 1 UNL1111111111 0.1359 39 H 0.2133 3.4162 0.1583 H 1 UNL1111111111 0.1418 40 H 0.8836 2.5897 -1.2503 H 1 UNL1111111111 0.1457 41 H -1.4823 -0.1293 2.0064 H 1 UNL1111111111 0.1506 42 H -3.0342 0.7027 1.8947 H 1 UNL1111111111 0.1647 43 H -2.9574 -1.0520 1.7274 H 1 UNL1111111111 0.1509 44 H 1.9991 2.5204 1.6356 H 1 UNL1111111111 0.1579 45 H 2.7214 3.3409 0.2491 H 1 UNL1111111111 0.1563 46 H 2.3942 -2.2449 0.0940 H 1 UNL1111111111 0.1472 47 H 2.7613 -1.2837 -1.3450 H 1 UNL1111111111 0.1496 48 H 4.7109 2.1540 -0.2126 H 1 UNL1111111111 0.1789 49 H -4.2214 -2.4151 -0.6780 H 1 UNL1111111111 0.1572 50 H -5.4962 -1.6378 -1.6952 H 1 UNL1111111111 0.1531 51 H 6.1253 -2.4545 -0.4071 H 1 UNL1111111111 0.1661 52 H 4.6591 -3.4416 -0.2630 H 1 UNL1111111111 0.1427 53 H 4.9137 -2.4030 -1.6785 H 1 UNL1111111111 0.1505 54 H 5.6250 -1.4861 1.8933 H 1 UNL1111111111 0.1572 55 H 4.1300 -0.5925 2.1899 H 1 UNL1111111111 0.1473 56 H 4.0919 -2.3546 2.0311 H 1 UNL1111111111 0.1501 57 H -6.4814 -1.8291 0.7506 H 1 UNL1111111111 0.3368 @BOND 1 1 19 2 2 2 22 2 3 3 23 1 4 3 57 1 5 4 5 1 6 4 8 1 7 4 9 1 8 4 15 1 9 5 6 1 10 5 10 1 11 5 26 1 12 6 7 1 13 6 14 1 14 6 27 1 15 7 11 1 16 7 12 1 17 7 28 1 18 8 13 1 19 8 19 1 20 8 29 1 21 9 11 1 22 9 30 1 23 9 31 1 24 10 13 1 25 10 32 1 26 10 33 1 27 11 34 1 28 11 35 1 29 12 16 1 30 12 18 1 31 12 36 1 32 13 37 1 33 13 38 1 34 14 17 1 35 14 39 1 36 14 40 1 37 15 41 1 38 15 42 1 39 15 43 1 40 16 17 1 41 16 21 2 42 17 44 1 43 17 45 1 44 18 20 1 45 18 46 1 46 18 47 1 47 19 23 1 48 20 22 1 49 20 24 1 50 20 25 1 51 21 22 1 52 21 48 1 53 23 49 1 54 23 50 1 55 24 51 1 56 24 52 1 57 24 53 1 58 25 54 1 59 25 55 1 60 25 56 1