@MOLECULE (3beta,17beta)-17-[methyl(4-methylpentyl)amino]androst-5-en-3-ol 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.8184 0.1042 0.3633 O.3 1 UNL1111111111 -0.5671 2 N 3.3227 0.6488 -0.8771 N.3 1 UNL1111111111 -0.4276 3 C 0.8090 0.3085 -0.4607 C.3 1 UNL1111111111 0.0639 4 C -0.0682 -0.9457 -0.7540 C.3 1 UNL1111111111 -0.1476 5 C -1.3839 -0.9293 0.0229 C.3 1 UNL1111111111 -0.1127 6 C -2.1849 0.3185 -0.4181 C.3 1 UNL1111111111 -0.1322 7 C 2.0929 -0.0726 -1.2834 C.3 1 UNL1111111111 0.0210 8 C -3.5316 0.4180 0.3644 C.3 1 UNL1111111111 0.0635 9 C 0.0194 1.5147 -0.9870 C.3 1 UNL1111111111 -0.2996 10 C -1.3447 1.6024 -0.2785 C.3 1 UNL1111111111 -0.2759 11 C 0.8823 -2.1240 -0.5117 C.3 1 UNL1111111111 -0.2784 12 C 2.2510 -1.6035 -0.9974 C.3 1 UNL1111111111 -0.2913 13 C -2.1878 -2.2003 -0.3000 C.3 1 UNL1111111111 -0.2846 14 C 1.1518 0.4745 1.0208 C.3 1 UNL1111111111 -0.4423 15 C -4.2305 -0.9235 0.3695 C.2 1 UNL1111111111 -0.0177 16 C -4.4081 1.4729 -0.3610 C.3 1 UNL1111111111 -0.2832 17 C -3.6191 -2.0799 0.0897 C.2 1 UNL1111111111 -0.1983 18 C -3.3062 0.8311 1.8291 C.3 1 UNL1111111111 -0.4528 19 C -5.6755 -0.9301 0.7710 C.3 1 UNL1111111111 -0.3497 20 C -5.8539 1.4997 0.1357 C.3 1 UNL1111111111 -0.3332 21 C -6.4663 0.1064 -0.0398 C.3 1 UNL1111111111 0.1784 22 C 4.5239 0.1643 -1.6126 C.3 1 UNL1111111111 -0.1214 23 C 3.1923 2.1100 -1.0633 C.3 1 UNL1111111111 -0.2770 24 C 5.7591 0.3058 -0.6966 C.3 1 UNL1111111111 -0.2642 25 C 5.6562 -0.6375 0.5073 C.3 1 UNL1111111111 -0.2820 26 C 6.7554 -0.4202 1.5636 C.3 1 UNL1111111111 -0.0580 27 C 8.1559 -0.6091 0.9683 C.3 1 UNL1111111111 -0.4543 28 C 6.6346 0.9627 2.2161 C.3 1 UNL1111111111 -0.4519 29 H -0.3246 -0.9363 -1.8455 H 1 UNL1111111111 0.1355 30 H -1.1909 -0.8859 1.1183 H 1 UNL1111111111 0.1438 31 H -2.4364 0.1869 -1.4999 H 1 UNL1111111111 0.1392 32 H 1.8764 0.0813 -2.3684 H 1 UNL1111111111 0.1058 33 H -0.1242 1.4337 -2.0793 H 1 UNL1111111111 0.1349 34 H 0.5743 2.4550 -0.8229 H 1 UNL1111111111 0.1374 35 H -1.1763 1.8308 0.7910 H 1 UNL1111111111 0.1445 36 H -1.9080 2.4608 -0.6891 H 1 UNL1111111111 0.1323 37 H 0.5697 -3.0261 -1.0566 H 1 UNL1111111111 0.1327 38 H 0.9155 -2.3982 0.5552 H 1 UNL1111111111 0.1417 39 H 3.0229 -1.7657 -0.2248 H 1 UNL1111111111 0.1556 40 H 2.5804 -2.1355 -1.9003 H 1 UNL1111111111 0.1286 41 H -1.7211 -3.0689 0.2080 H 1 UNL1111111111 0.1450 42 H -2.1275 -2.4252 -1.3872 H 1 UNL1111111111 0.1500 43 H 1.7873 -0.3475 1.3733 H 1 UNL1111111111 0.1549 44 H 1.7210 1.3947 1.1963 H 1 UNL1111111111 0.1492 45 H 0.2590 0.5040 1.6512 H 1 UNL1111111111 0.1397 46 H -4.3996 1.2660 -1.4496 H 1 UNL1111111111 0.1424 47 H -3.9567 2.4747 -0.2385 H 1 UNL1111111111 0.1406 48 H -4.1560 -3.0271 0.1198 H 1 UNL1111111111 0.1443 49 H -4.2394 0.8026 2.4009 H 1 UNL1111111111 0.1442 50 H -2.5998 0.1544 2.3235 H 1 UNL1111111111 0.1500 51 H -2.9109 1.8486 1.9078 H 1 UNL1111111111 0.1450 52 H -6.1367 -1.9287 0.6320 H 1 UNL1111111111 0.1577 53 H -5.7640 -0.7200 1.8558 H 1 UNL1111111111 0.1517 54 H -5.8999 1.8172 1.1922 H 1 UNL1111111111 0.1423 55 H -6.4450 2.2453 -0.4285 H 1 UNL1111111111 0.1501 56 H -6.5450 -0.1831 -1.1120 H 1 UNL1111111111 0.1439 57 H 4.4105 -0.8998 -1.9004 H 1 UNL1111111111 0.1342 58 H 4.6915 0.7185 -2.5600 H 1 UNL1111111111 0.1124 59 H 2.8417 2.4094 -2.0619 H 1 UNL1111111111 0.1160 60 H 4.1632 2.5960 -0.8734 H 1 UNL1111111111 0.1429 61 H 2.4918 2.5031 -0.3071 H 1 UNL1111111111 0.1482 62 H 6.6723 0.0905 -1.2788 H 1 UNL1111111111 0.1287 63 H 5.8492 1.3508 -0.3468 H 1 UNL1111111111 0.1421 64 H -7.9168 0.3557 1.2986 H 1 UNL1111111111 0.3114 65 H 4.6618 -0.4944 0.9839 H 1 UNL1111111111 0.1611 66 H 5.6791 -1.6868 0.1621 H 1 UNL1111111111 0.1270 67 H 6.6083 -1.1930 2.3602 H 1 UNL1111111111 0.1230 68 H 8.3906 0.1707 0.2366 H 1 UNL1111111111 0.1432 69 H 8.9244 -0.5686 1.7469 H 1 UNL1111111111 0.1375 70 H 8.2444 -1.5755 0.4618 H 1 UNL1111111111 0.1401 71 H 7.3171 1.0614 3.0655 H 1 UNL1111111111 0.1362 72 H 5.6157 1.1388 2.5797 H 1 UNL1111111111 0.1467 73 H 6.8703 1.7644 1.5088 H 1 UNL1111111111 0.1421 @BOND 1 1 21 1 2 1 64 1 3 2 7 1 4 2 22 1 5 2 23 1 6 3 4 1 7 3 7 1 8 3 9 1 9 3 14 1 10 4 5 1 11 4 11 1 12 4 29 1 13 5 6 1 14 5 13 1 15 5 30 1 16 6 8 1 17 6 10 1 18 6 31 1 19 7 12 1 20 7 32 1 21 8 15 1 22 8 16 1 23 8 18 1 24 9 10 1 25 9 33 1 26 9 34 1 27 10 35 1 28 10 36 1 29 11 12 1 30 11 37 1 31 11 38 1 32 12 39 1 33 12 40 1 34 13 17 1 35 13 41 1 36 13 42 1 37 14 43 1 38 14 44 1 39 14 45 1 40 15 17 2 41 15 19 1 42 16 20 1 43 16 46 1 44 16 47 1 45 17 48 1 46 18 49 1 47 18 50 1 48 18 51 1 49 19 21 1 50 19 52 1 51 19 53 1 52 20 21 1 53 20 54 1 54 20 55 1 55 21 56 1 56 22 24 1 57 22 57 1 58 22 58 1 59 23 59 1 60 23 60 1 61 23 61 1 62 24 25 1 63 24 62 1 64 24 63 1 65 25 26 1 66 25 65 1 67 25 66 1 68 26 27 1 69 26 28 1 70 26 67 1 71 27 68 1 72 27 69 1 73 27 70 1 74 28 71 1 75 28 72 1 76 28 73 1