@MOLECULE 17beta-isopentyloxy-4-aza-5alpha-androstane 66 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2693 -0.1790 0.2620 O.3 1 UNL1111111111 -0.4154 2 N 5.7466 0.5607 -0.0961 N.3 1 UNL1111111111 -0.5441 3 C 1.4329 0.9646 0.2043 C.3 1 UNL1111111111 -0.1140 4 C 0.0303 1.0883 -0.3923 C.3 1 UNL1111111111 -0.1443 5 C 2.0203 -0.3782 -0.3141 C.3 1 UNL1111111111 -0.1362 6 C -0.8950 -0.0557 0.1111 C.3 1 UNL1111111111 0.0552 7 C 3.4810 -0.5734 0.1741 C.3 1 UNL1111111111 0.0169 8 C 1.1130 -1.5628 0.0726 C.3 1 UNL1111111111 -0.2739 9 C -0.3351 -1.3788 -0.4176 C.3 1 UNL1111111111 -0.2904 10 C 4.2961 0.6495 -0.3660 C.3 1 UNL1111111111 0.0333 11 C -2.2444 0.3911 -0.5225 C.3 1 UNL1111111111 0.0866 12 C 2.3021 2.1536 -0.2343 C.3 1 UNL1111111111 -0.2831 13 C -0.7852 2.3615 -0.1182 C.3 1 UNL1111111111 -0.2733 14 C 3.7553 1.9706 0.2084 C.3 1 UNL1111111111 -0.2944 15 C -2.2441 1.9410 -0.4113 C.3 1 UNL1111111111 -0.3264 16 C 4.0863 -1.8446 -0.4691 C.3 1 UNL1111111111 -0.2905 17 C -1.0556 -0.1135 1.6328 C.3 1 UNL1111111111 -0.4433 18 C 3.5563 -0.6892 1.6995 C.3 1 UNL1111111111 -0.4561 19 C 5.5965 -1.9515 -0.2249 C.3 1 UNL1111111111 -0.3145 20 C 6.3131 -0.6686 -0.6877 C.3 1 UNL1111111111 -0.1059 21 C -4.5513 -0.1379 -0.3571 C.3 1 UNL1111111111 -0.0344 22 C -5.4798 -0.7380 0.7019 C.3 1 UNL1111111111 -0.3079 23 C -6.9577 -0.7378 0.2781 C.3 1 UNL1111111111 -0.0563 24 C -7.4852 0.6886 0.0833 C.3 1 UNL1111111111 -0.4545 25 C -7.1770 -1.5655 -0.9937 C.3 1 UNL1111111111 -0.4554 26 H 1.3774 0.9465 1.3163 H 1 UNL1111111111 0.1442 27 H 0.1296 0.9922 -1.5045 H 1 UNL1111111111 0.1359 28 H 2.0458 -0.3237 -1.4306 H 1 UNL1111111111 0.1339 29 H 1.1163 -1.6985 1.1700 H 1 UNL1111111111 0.1439 30 H 1.5193 -2.4995 -0.3508 H 1 UNL1111111111 0.1327 31 H -0.3678 -1.4036 -1.5213 H 1 UNL1111111111 0.1334 32 H -0.9616 -2.2234 -0.0767 H 1 UNL1111111111 0.1444 33 H 4.1813 0.6746 -1.4833 H 1 UNL1111111111 0.1397 34 H -2.3379 0.0520 -1.5713 H 1 UNL1111111111 0.1097 35 H 1.8941 3.0902 0.1896 H 1 UNL1111111111 0.1393 36 H 2.2556 2.2736 -1.3330 H 1 UNL1111111111 0.1383 37 H -0.4648 3.2001 -0.7521 H 1 UNL1111111111 0.1322 38 H -0.6672 2.6938 0.9256 H 1 UNL1111111111 0.1406 39 H 4.3797 2.8116 -0.1514 H 1 UNL1111111111 0.1514 40 H 3.8359 1.9865 1.3087 H 1 UNL1111111111 0.1395 41 H -2.9181 2.2567 0.4021 H 1 UNL1111111111 0.1527 42 H -2.6180 2.4062 -1.3328 H 1 UNL1111111111 0.1321 43 H 3.8846 -1.8429 -1.5565 H 1 UNL1111111111 0.1378 44 H 3.5851 -2.7448 -0.0686 H 1 UNL1111111111 0.1390 45 H -1.7323 -0.9307 1.9161 H 1 UNL1111111111 0.1559 46 H -0.1027 -0.2740 2.1443 H 1 UNL1111111111 0.1415 47 H -1.4968 0.8100 2.0242 H 1 UNL1111111111 0.1493 48 H 3.0848 -1.6139 2.0507 H 1 UNL1111111111 0.1469 49 H 4.5910 -0.7005 2.0558 H 1 UNL1111111111 0.1394 50 H 3.0479 0.1451 2.1957 H 1 UNL1111111111 0.1501 51 H 5.9340 0.6010 0.9038 H 1 UNL1111111111 0.2509 52 H 5.7970 -2.1341 0.8461 H 1 UNL1111111111 0.1393 53 H 6.0052 -2.8262 -0.7618 H 1 UNL1111111111 0.1378 54 H 7.3928 -0.7104 -0.4335 H 1 UNL1111111111 0.1326 55 H 6.2525 -0.5749 -1.7942 H 1 UNL1111111111 0.1408 56 H -4.5277 -0.7403 -1.2809 H 1 UNL1111111111 0.1139 57 H -4.8143 0.9050 -0.5989 H 1 UNL1111111111 0.1151 58 H -5.1507 -1.7707 0.9304 H 1 UNL1111111111 0.1496 59 H -5.3575 -0.1769 1.6498 H 1 UNL1111111111 0.1515 60 H -7.5414 -1.2137 1.1076 H 1 UNL1111111111 0.1287 61 H -8.5670 0.6885 -0.0883 H 1 UNL1111111111 0.1412 62 H -7.0196 1.1808 -0.7767 H 1 UNL1111111111 0.1435 63 H -7.2896 1.3088 0.9648 H 1 UNL1111111111 0.1447 64 H -6.7077 -1.1011 -1.8671 H 1 UNL1111111111 0.1435 65 H -8.2444 -1.6712 -1.2158 H 1 UNL1111111111 0.1414 66 H -6.7590 -2.5726 -0.8899 H 1 UNL1111111111 0.1443 @BOND 1 1 11 1 2 1 21 1 3 2 10 1 4 2 20 1 5 2 51 1 6 3 4 1 7 3 5 1 8 3 12 1 9 3 26 1 10 4 6 1 11 4 13 1 12 4 27 1 13 5 7 1 14 5 8 1 15 5 28 1 16 6 9 1 17 6 11 1 18 6 17 1 19 7 10 1 20 7 16 1 21 7 18 1 22 8 9 1 23 8 29 1 24 8 30 1 25 9 31 1 26 9 32 1 27 10 14 1 28 10 33 1 29 11 15 1 30 11 34 1 31 12 14 1 32 12 35 1 33 12 36 1 34 13 15 1 35 13 37 1 36 13 38 1 37 14 39 1 38 14 40 1 39 15 41 1 40 15 42 1 41 16 19 1 42 16 43 1 43 16 44 1 44 17 45 1 45 17 46 1 46 17 47 1 47 18 48 1 48 18 49 1 49 18 50 1 50 19 20 1 51 19 52 1 52 19 53 1 53 20 54 1 54 20 55 1 55 21 22 1 56 21 56 1 57 21 57 1 58 22 23 1 59 22 58 1 60 22 59 1 61 23 24 1 62 23 25 1 63 23 60 1 64 24 61 1 65 24 62 1 66 24 63 1 67 25 64 1 68 25 65 1 69 25 66 1