@MOLECULE 17-[1-(5-methyl-2-piperidinyl)ethyl]androst-5-ene-3,16-diol 75 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5971 -2.3547 0.7037 O.3 1 UNL1111111111 -0.5754 2 O 8.0870 0.4148 0.7887 O.3 1 UNL1111111111 -0.5665 3 N -5.5257 0.5215 -1.0821 N.3 1 UNL1111111111 -0.5645 4 C -0.4799 0.2041 -0.4736 C.3 1 UNL1111111111 0.0792 5 C 0.3433 -1.0249 0.0193 C.3 1 UNL1111111111 -0.1392 6 C 1.8116 -0.9306 -0.3914 C.3 1 UNL1111111111 -0.1191 7 C -1.9188 -0.2299 -0.0629 C.3 1 UNL1111111111 -0.1797 8 C 2.4146 0.3373 0.2601 C.3 1 UNL1111111111 -0.1324 9 C 0.0795 1.4199 0.2751 C.3 1 UNL1111111111 -0.2919 10 C -0.4609 -2.2308 -0.4801 C.3 1 UNL1111111111 -0.3461 11 C 3.9036 0.5193 -0.1711 C.3 1 UNL1111111111 0.0616 12 C -1.9298 -1.7533 -0.3894 C.3 1 UNL1111111111 0.1526 13 C 1.5752 1.5949 -0.0396 C.3 1 UNL1111111111 -0.2822 14 C -3.0840 0.5148 -0.7312 C.3 1 UNL1111111111 -0.1175 15 C 2.5718 -2.1705 0.1063 C.3 1 UNL1111111111 -0.2849 16 C -0.3949 0.4149 -1.9896 C.3 1 UNL1111111111 -0.4585 17 C 4.6507 -0.7890 -0.0396 C.2 1 UNL1111111111 -0.0164 18 C 4.5285 1.5819 0.7703 C.3 1 UNL1111111111 -0.2822 19 C 4.0479 -1.9789 0.0677 C.2 1 UNL1111111111 -0.1992 20 C -4.4441 -0.0876 -0.2609 C.3 1 UNL1111111111 0.0417 21 C 4.0164 0.9747 -1.6366 C.3 1 UNL1111111111 -0.4535 22 C 6.1476 -0.7179 -0.0954 C.3 1 UNL1111111111 -0.3490 23 C 6.0452 1.6987 0.6192 C.3 1 UNL1111111111 -0.3331 24 C -3.0342 2.0185 -0.4422 C.3 1 UNL1111111111 -0.4447 25 C 6.6820 0.3320 0.8899 C.3 1 UNL1111111111 0.1785 26 C -4.7368 0.1870 1.2268 C.3 1 UNL1111111111 -0.2730 27 C -6.0962 -0.4068 1.6123 C.3 1 UNL1111111111 -0.2794 28 C -6.8468 -0.0704 -0.7723 C.3 1 UNL1111111111 -0.1174 29 C -7.2177 0.1446 0.7152 C.3 1 UNL1111111111 -0.0793 30 C -7.4817 1.6270 0.9936 C.3 1 UNL1111111111 -0.4477 31 H 0.3048 -1.0350 1.1411 H 1 UNL1111111111 0.1451 32 H 1.9049 -0.8663 -1.4986 H 1 UNL1111111111 0.1421 33 H -2.0197 -0.1163 1.0453 H 1 UNL1111111111 0.1652 34 H 2.4042 0.1755 1.3670 H 1 UNL1111111111 0.1404 35 H -0.0698 1.3011 1.3637 H 1 UNL1111111111 0.1393 36 H -0.4652 2.3392 -0.0046 H 1 UNL1111111111 0.1436 37 H -0.1883 -2.4998 -1.5118 H 1 UNL1111111111 0.1451 38 H -0.2844 -3.1246 0.1364 H 1 UNL1111111111 0.1441 39 H -2.5012 -1.9947 -1.3060 H 1 UNL1111111111 0.1093 40 H 1.6860 1.8813 -1.1022 H 1 UNL1111111111 0.1421 41 H 1.9683 2.4458 0.5461 H 1 UNL1111111111 0.1328 42 H -3.0184 0.3696 -1.8373 H 1 UNL1111111111 0.1299 43 H 2.2809 -3.0505 -0.5022 H 1 UNL1111111111 0.1434 44 H 2.2655 -2.4137 1.1470 H 1 UNL1111111111 0.1512 45 H 0.6414 0.5219 -2.3289 H 1 UNL1111111111 0.1472 46 H -0.8265 -0.4250 -2.5408 H 1 UNL1111111111 0.1420 47 H -0.9273 1.3238 -2.2918 H 1 UNL1111111111 0.1483 48 H 4.2833 1.3272 1.8202 H 1 UNL1111111111 0.1430 49 H 4.0615 2.5656 0.5784 H 1 UNL1111111111 0.1409 50 H 4.6218 -2.9010 0.1484 H 1 UNL1111111111 0.1451 51 H -4.4134 -1.2003 -0.4071 H 1 UNL1111111111 0.1207 52 H 3.6098 1.9803 -1.7817 H 1 UNL1111111111 0.1452 53 H 5.0596 0.9984 -1.9691 H 1 UNL1111111111 0.1456 54 H 3.4778 0.2920 -2.3032 H 1 UNL1111111111 0.1481 55 H 6.6145 -1.6977 0.1314 H 1 UNL1111111111 0.1580 56 H 6.4732 -0.4777 -1.1289 H 1 UNL1111111111 0.1520 57 H 6.3124 2.0621 -0.3888 H 1 UNL1111111111 0.1424 58 H 6.4494 2.4487 1.3253 H 1 UNL1111111111 0.1507 59 H -2.8334 2.2232 0.6139 H 1 UNL1111111111 0.1424 60 H -2.2683 2.5203 -1.0404 H 1 UNL1111111111 0.1370 61 H -4.0007 2.4871 -0.6848 H 1 UNL1111111111 0.1679 62 H 6.5449 0.0100 1.9470 H 1 UNL1111111111 0.1442 63 H -2.4867 -3.3222 0.6996 H 1 UNL1111111111 0.3135 64 H -4.7330 1.2750 1.4213 H 1 UNL1111111111 0.1488 65 H -3.9373 -0.2576 1.8484 H 1 UNL1111111111 0.1434 66 H -5.3211 0.4282 -2.0748 H 1 UNL1111111111 0.2472 67 H -6.0593 -1.5094 1.5295 H 1 UNL1111111111 0.1338 68 H -6.3162 -0.1886 2.6724 H 1 UNL1111111111 0.1333 69 H -6.8879 -1.1564 -1.0054 H 1 UNL1111111111 0.1043 70 H -7.5970 0.4351 -1.4182 H 1 UNL1111111111 0.1325 71 H -8.1535 -0.4284 0.9228 H 1 UNL1111111111 0.1198 72 H 8.3683 0.7074 -0.0966 H 1 UNL1111111111 0.3114 73 H -7.6278 1.8195 2.0592 H 1 UNL1111111111 0.1357 74 H -6.6324 2.2377 0.6532 H 1 UNL1111111111 0.1664 75 H -8.3676 1.9829 0.4599 H 1 UNL1111111111 0.1351 @BOND 1 1 12 1 2 1 63 1 3 2 25 1 4 2 72 1 5 3 20 1 6 3 28 1 7 3 66 1 8 4 5 1 9 4 7 1 10 4 9 1 11 4 16 1 12 5 6 1 13 5 10 1 14 5 31 1 15 6 8 1 16 6 15 1 17 6 32 1 18 7 12 1 19 7 14 1 20 7 33 1 21 8 11 1 22 8 13 1 23 8 34 1 24 9 13 1 25 9 35 1 26 9 36 1 27 10 12 1 28 10 37 1 29 10 38 1 30 11 17 1 31 11 18 1 32 11 21 1 33 12 39 1 34 13 40 1 35 13 41 1 36 14 20 1 37 14 24 1 38 14 42 1 39 15 19 1 40 15 43 1 41 15 44 1 42 16 45 1 43 16 46 1 44 16 47 1 45 17 19 2 46 17 22 1 47 18 23 1 48 18 48 1 49 18 49 1 50 19 50 1 51 20 26 1 52 20 51 1 53 21 52 1 54 21 53 1 55 21 54 1 56 22 25 1 57 22 55 1 58 22 56 1 59 23 25 1 60 23 57 1 61 23 58 1 62 24 59 1 63 24 60 1 64 24 61 1 65 25 62 1 66 26 27 1 67 26 64 1 68 26 65 1 69 27 29 1 70 27 67 1 71 27 68 1 72 28 29 1 73 28 69 1 74 28 70 1 75 29 30 1 76 29 71 1 77 30 73 1 78 30 74 1 79 30 75 1