@MOLECULE (17beta)-17-(diisopropylcarbamoyl)androsta-3,5-diene-3-carboxylic acid 72 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7008 -1.5155 0.8353 O.2 1 UNL1111111111 -0.5551 2 O 7.8895 -1.4771 -0.4542 O.3 1 UNL1111111111 -0.5593 3 O 8.1233 0.6925 -0.0271 O.2 1 UNL1111111111 -0.5152 4 N -5.1625 -0.2064 -0.2501 N.am 1 UNL1111111111 -0.5631 5 C -1.3219 -0.1005 0.2044 C.3 1 UNL1111111111 0.1121 6 C -0.5046 1.2083 -0.0125 C.3 1 UNL1111111111 -0.1464 7 C 0.9462 1.0408 0.4343 C.3 1 UNL1111111111 -0.1156 8 C 1.5837 -0.0989 -0.4013 C.3 1 UNL1111111111 -0.1382 9 C -2.7351 0.4067 -0.2168 C.3 1 UNL1111111111 -0.2374 10 C -0.7326 -1.1710 -0.7176 C.3 1 UNL1111111111 -0.2969 11 C 3.0447 -0.3493 0.0738 C.3 1 UNL1111111111 0.0750 12 C -1.3627 2.2752 0.6846 C.3 1 UNL1111111111 -0.2744 13 C 0.7461 -1.3931 -0.3582 C.3 1 UNL1111111111 -0.2742 14 C -2.8217 1.8043 0.4530 C.3 1 UNL1111111111 -0.2601 15 C 1.7201 2.3506 0.2050 C.3 1 UNL1111111111 -0.3019 16 C -1.3113 -0.5764 1.6594 C.3 1 UNL1111111111 -0.4552 17 C 3.7973 0.9618 0.1399 C.2 1 UNL1111111111 -0.0674 18 C 3.7480 -1.2642 -0.9583 C.3 1 UNL1111111111 -0.2875 19 C 3.1946 2.1581 0.2288 C.2 1 UNL1111111111 -0.1306 20 C -3.8770 -0.5087 0.1749 C.2 1 UNL1111111111 0.5888 21 C 3.0927 -0.9870 1.4723 C.3 1 UNL1111111111 -0.4526 22 C 5.2235 -1.5048 -0.6154 C.3 1 UNL1111111111 -0.2494 23 C 5.2536 0.8826 0.1167 C.2 1 UNL1111111111 -0.0731 24 C 5.9096 -0.2387 -0.2321 C.2 1 UNL1111111111 -0.1320 25 C -6.2945 -1.0327 0.2327 C.3 1 UNL1111111111 0.1644 26 C -5.4843 0.8944 -1.1712 C.3 1 UNL1111111111 0.1436 27 C 7.3775 -0.2363 -0.2190 C.2 1 UNL1111111111 0.6336 28 C -6.3770 -0.9954 1.7674 C.3 1 UNL1111111111 -0.4842 29 C -6.1751 -2.4782 -0.2746 C.3 1 UNL1111111111 -0.4829 30 C -6.3279 1.9691 -0.4625 C.3 1 UNL1111111111 -0.4816 31 C -6.2125 0.3708 -2.4232 C.3 1 UNL1111111111 -0.4801 32 H -0.4943 1.4376 -1.1083 H 1 UNL1111111111 0.1346 33 H 0.9913 0.7806 1.5163 H 1 UNL1111111111 0.1473 34 H 1.6258 0.2465 -1.4631 H 1 UNL1111111111 0.1369 35 H -2.7406 0.5162 -1.3283 H 1 UNL1111111111 0.1531 36 H -0.8288 -0.8780 -1.7772 H 1 UNL1111111111 0.1320 37 H -1.2971 -2.1177 -0.6086 H 1 UNL1111111111 0.1554 38 H -1.1887 3.2783 0.2718 H 1 UNL1111111111 0.1303 39 H -1.1318 2.3321 1.7602 H 1 UNL1111111111 0.1425 40 H 0.8046 -1.8493 0.6487 H 1 UNL1111111111 0.1486 41 H 1.1785 -2.1369 -1.0529 H 1 UNL1111111111 0.1325 42 H -3.3684 1.7453 1.4085 H 1 UNL1111111111 0.1447 43 H -3.3704 2.5190 -0.1765 H 1 UNL1111111111 0.1316 44 H 1.4130 3.0967 0.9673 H 1 UNL1111111111 0.1508 45 H 1.4332 2.7964 -0.7732 H 1 UNL1111111111 0.1542 46 H -1.7097 -1.5994 1.7407 H 1 UNL1111111111 0.1760 47 H -0.3039 -0.5863 2.0846 H 1 UNL1111111111 0.1404 48 H -1.9380 0.0509 2.3004 H 1 UNL1111111111 0.1463 49 H 3.6739 -0.8019 -1.9615 H 1 UNL1111111111 0.1432 50 H 3.2230 -2.2341 -1.0262 H 1 UNL1111111111 0.1420 51 H 3.7713 3.0815 0.2978 H 1 UNL1111111111 0.1467 52 H 2.4830 -0.4264 2.1890 H 1 UNL1111111111 0.1475 53 H 2.7330 -2.0205 1.4581 H 1 UNL1111111111 0.1468 54 H 4.1169 -1.0032 1.8645 H 1 UNL1111111111 0.1535 55 H 5.7349 -1.9839 -1.4787 H 1 UNL1111111111 0.1603 56 H 5.3142 -2.2415 0.2132 H 1 UNL1111111111 0.1599 57 H 5.8010 1.7914 0.3931 H 1 UNL1111111111 0.1671 58 H -7.2414 -0.5892 -0.1789 H 1 UNL1111111111 0.1224 59 H -4.5279 1.3715 -1.5184 H 1 UNL1111111111 0.1354 60 H -7.2791 -1.5009 2.1221 H 1 UNL1111111111 0.1451 61 H -5.5131 -1.5019 2.2242 H 1 UNL1111111111 0.1820 62 H -6.3865 0.0322 2.1417 H 1 UNL1111111111 0.1449 63 H -6.0563 -2.5115 -1.3614 H 1 UNL1111111111 0.1447 64 H -7.0585 -3.0625 -0.0043 H 1 UNL1111111111 0.1433 65 H -5.2981 -2.9799 0.1629 H 1 UNL1111111111 0.1838 66 H -6.4834 2.8361 -1.1125 H 1 UNL1111111111 0.1497 67 H -7.3146 1.5923 -0.1732 H 1 UNL1111111111 0.1540 68 H -5.8356 2.3155 0.4538 H 1 UNL1111111111 0.1550 69 H -5.6605 -0.4594 -2.8799 H 1 UNL1111111111 0.1579 70 H -6.3129 1.1625 -3.1724 H 1 UNL1111111111 0.1495 71 H -7.2191 0.0046 -2.1972 H 1 UNL1111111111 0.1525 72 H 8.8774 -1.4944 -0.4453 H 1 UNL1111111111 0.3524 @BOND 1 1 20 2 2 2 27 1 3 2 72 1 4 3 27 2 5 4 20 am 6 4 25 1 7 4 26 1 8 5 6 1 9 5 9 1 10 5 10 1 11 5 16 1 12 6 7 1 13 6 12 1 14 6 32 1 15 7 8 1 16 7 15 1 17 7 33 1 18 8 11 1 19 8 13 1 20 8 34 1 21 9 14 1 22 9 20 1 23 9 35 1 24 10 13 1 25 10 36 1 26 10 37 1 27 11 17 1 28 11 18 1 29 11 21 1 30 12 14 1 31 12 38 1 32 12 39 1 33 13 40 1 34 13 41 1 35 14 42 1 36 14 43 1 37 15 19 1 38 15 44 1 39 15 45 1 40 16 46 1 41 16 47 1 42 16 48 1 43 17 19 2 44 17 23 1 45 18 22 1 46 18 49 1 47 18 50 1 48 19 51 1 49 21 52 1 50 21 53 1 51 21 54 1 52 22 24 1 53 22 55 1 54 22 56 1 55 23 24 2 56 23 57 1 57 24 27 1 58 25 28 1 59 25 29 1 60 25 58 1 61 26 30 1 62 26 31 1 63 26 59 1 64 28 60 1 65 28 61 1 66 28 62 1 67 29 63 1 68 29 64 1 69 29 65 1 70 30 66 1 71 30 67 1 72 30 68 1 73 31 69 1 74 31 70 1 75 31 71 1