@MOLECULE (3alpha,5alpha,8xi,9xi,14xi,17beta)-3-acetoxy-17-(butyryloxy)-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane 103 108 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.9529 0.6973 -0.6108 O.3 1 UNL1111 -0.4417 2 O 5.9846 -0.1329 -0.4342 O.3 1 UNL1111 -0.4541 3 O -4.1071 2.2147 1.0454 O.2 1 UNL1111 -0.5282 4 O 7.0229 -1.8590 0.5658 O.2 1 UNL1111 -0.5187 5 N -3.6593 -2.0770 1.2482 N.4 1 UNL1111 -0.0887 6 N 3.1558 1.4455 1.3294 N.3 1 UNL1111 -0.4412 7 C -0.7581 -0.9775 -0.4551 C.3 1 UNL1111 -0.1366 8 C -1.5625 0.3012 -0.8178 C.3 1 UNL1111 0.0401 9 C 0.5297 -1.0581 -1.2755 C.3 1 UNL1111 -0.1146 10 C 1.3986 0.1619 -0.8668 C.3 1 UNL1111 -0.1332 11 C 2.7688 0.1489 -1.5858 C.3 1 UNL1111 0.0839 12 C -3.1206 -1.4689 -0.0963 C.3 1 UNL1111 -0.1183 13 C -2.8446 0.0480 0.0193 C.3 1 UNL1111 0.0802 14 C -1.7937 -2.1066 -0.5763 C.3 1 UNL1111 -0.3012 15 C 3.4953 -1.2041 -1.3522 C.3 1 UNL1111 -0.1049 16 C -0.7320 1.5096 -0.3843 C.3 1 UNL1111 -0.2877 17 C 0.6325 1.4826 -1.0958 C.3 1 UNL1111 -0.2725 18 C 1.2689 -2.3717 -0.9874 C.3 1 UNL1111 -0.2759 19 C 2.6070 -2.4019 -1.7298 C.3 1 UNL1111 -0.2840 20 C 3.6870 1.2996 -1.0968 C.3 1 UNL1111 -0.3026 21 C -1.9414 0.4069 -2.2978 C.3 1 UNL1111 -0.4451 22 C 3.9675 -1.3548 0.1016 C.3 1 UNL1111 -0.3292 23 C 4.2386 1.1801 0.3444 C.3 1 UNL1111 0.0121 24 C 2.5989 0.3501 -3.1085 C.3 1 UNL1111 -0.4706 25 C 4.8921 -0.2149 0.5021 C.3 1 UNL1111 0.1172 26 C -4.0122 -3.5709 1.0631 C.3 1 UNL1111 -0.2055 27 C -4.9323 -1.3393 1.7088 C.3 1 UNL1111 -0.2035 28 C -2.6147 -1.9661 2.3870 C.3 1 UNL1111 -0.4020 29 C -5.1732 -3.7764 0.0856 C.3 1 UNL1111 -0.2779 30 C -6.0951 -1.5246 0.7297 C.3 1 UNL1111 -0.2782 31 C -6.4193 -3.0112 0.5468 C.3 1 UNL1111 -0.2610 32 C 2.9590 2.9144 1.4731 C.3 1 UNL1111 -0.1049 33 C 3.3653 0.8410 2.6673 C.3 1 UNL1111 -0.1117 34 C -4.4724 1.7949 -0.0237 C.2 1 UNL1111 0.6116 35 C 1.6823 3.1843 2.2895 C.3 1 UNL1111 -0.2679 36 C 2.0910 1.0505 3.5120 C.3 1 UNL1111 -0.2625 37 C 1.7952 2.5440 3.6765 C.3 1 UNL1111 -0.2667 38 C -5.5410 2.3749 -0.9051 C.3 1 UNL1111 -0.3470 39 C 6.9812 -1.0402 -0.3159 C.2 1 UNL1111 0.6366 40 C -4.9832 3.6355 -1.5790 C.3 1 UNL1111 -0.2310 41 C 7.9695 -0.8305 -1.4136 C.3 1 UNL1111 -0.5133 42 C -6.0402 4.2794 -2.4728 C.3 1 UNL1111 -0.4389 43 H -0.4631 -0.9111 0.6254 H 1 UNL1111 0.1429 44 H 0.2968 -1.0069 -2.3616 H 1 UNL1111 0.1352 45 H 1.6047 0.0878 0.2341 H 1 UNL1111 0.1739 46 H -3.9187 -1.6394 -0.8487 H 1 UNL1111 0.1427 47 H -2.7362 0.4026 1.0634 H 1 UNL1111 0.1525 48 H -1.8852 -2.4569 -1.6166 H 1 UNL1111 0.1355 49 H -1.5065 -2.9868 0.0159 H 1 UNL1111 0.1396 50 H 4.4008 -1.2191 -2.0084 H 1 UNL1111 0.1328 51 H -0.5828 1.5018 0.7126 H 1 UNL1111 0.1422 52 H -1.2610 2.4513 -0.6105 H 1 UNL1111 0.1374 53 H 0.4918 1.6610 -2.1757 H 1 UNL1111 0.1325 54 H 1.2445 2.3232 -0.7161 H 1 UNL1111 0.1372 55 H 0.6453 -3.2307 -1.2954 H 1 UNL1111 0.1301 56 H 1.4285 -2.4896 0.1001 H 1 UNL1111 0.1386 57 H 2.4310 -2.4035 -2.8215 H 1 UNL1111 0.1337 58 H 3.1410 -3.3453 -1.5122 H 1 UNL1111 0.1314 59 H 4.5639 1.3557 -1.7755 H 1 UNL1111 0.1462 60 H 3.1544 2.2606 -1.2118 H 1 UNL1111 0.1412 61 H -1.0593 0.4532 -2.9440 H 1 UNL1111 0.1448 62 H -2.5448 -0.4485 -2.6204 H 1 UNL1111 0.1461 63 H -2.5374 1.3079 -2.4833 H 1 UNL1111 0.1444 64 H 3.0919 -1.3745 0.7831 H 1 UNL1111 0.1654 65 H 4.4853 -2.3255 0.2339 H 1 UNL1111 0.1568 66 H 5.0649 1.9378 0.4555 H 1 UNL1111 0.1219 67 H 2.2275 1.3531 -3.3387 H 1 UNL1111 0.1423 68 H 1.8863 -0.3671 -3.5274 H 1 UNL1111 0.1472 69 H 3.5476 0.2203 -3.6376 H 1 UNL1111 0.1380 70 H 5.3303 -0.3668 1.5127 H 1 UNL1111 0.1364 71 H -4.2717 -3.9855 2.0528 H 1 UNL1111 0.1262 72 H -3.1092 -4.0970 0.7103 H 1 UNL1111 0.1273 73 H -4.6930 -0.2660 1.8270 H 1 UNL1111 0.1411 74 H -5.2104 -1.7229 2.7067 H 1 UNL1111 0.1281 75 H -2.3786 -0.9156 2.5711 H 1 UNL1111 0.1405 76 H -1.7026 -2.4929 2.1004 H 1 UNL1111 0.1397 77 H -3.0097 -2.4062 3.3036 H 1 UNL1111 0.1275 78 H -5.3993 -4.8553 0.0019 H 1 UNL1111 0.1276 79 H -4.8835 -3.4504 -0.9313 H 1 UNL1111 0.1401 80 H -5.8484 -1.0634 -0.2467 H 1 UNL1111 0.1468 81 H -6.9841 -0.9839 1.1040 H 1 UNL1111 0.1297 82 H -7.2372 -3.1366 -0.1851 H 1 UNL1111 0.1272 83 H -6.7919 -3.4354 1.4975 H 1 UNL1111 0.1322 84 H 2.8479 3.3592 0.4608 H 1 UNL1111 0.1319 85 H 3.8291 3.4116 1.9522 H 1 UNL1111 0.1090 86 H 3.5274 -0.2523 2.5545 H 1 UNL1111 0.1351 87 H 4.2488 1.2572 3.1942 H 1 UNL1111 0.1120 88 H 1.5106 4.2707 2.3706 H 1 UNL1111 0.1266 89 H 0.8067 2.7648 1.7526 H 1 UNL1111 0.1589 90 H 1.2365 0.5521 3.0113 H 1 UNL1111 0.1551 91 H 2.2123 0.5639 4.4945 H 1 UNL1111 0.1268 92 H 0.8597 2.6920 4.2456 H 1 UNL1111 0.1335 93 H 2.5911 3.0335 4.2652 H 1 UNL1111 0.1279 94 H -6.4327 2.6196 -0.2922 H 1 UNL1111 0.1724 95 H -5.8761 1.6417 -1.6673 H 1 UNL1111 0.1733 96 H -4.0845 3.3811 -2.1758 H 1 UNL1111 0.1429 97 H -4.6425 4.3565 -0.8080 H 1 UNL1111 0.1493 98 H 8.6263 -1.7069 -1.5216 H 1 UNL1111 0.1821 99 H 7.4757 -0.6480 -2.3803 H 1 UNL1111 0.1837 100 H 8.6051 0.0443 -1.2058 H 1 UNL1111 0.1832 101 H -5.6525 5.1843 -2.9545 H 1 UNL1111 0.1436 102 H -6.3653 3.5990 -3.2679 H 1 UNL1111 0.1446 103 H -6.9299 4.5696 -1.9016 H 1 UNL1111 0.1444 @BOND 1 1 13 1 2 1 34 1 3 2 25 1 4 2 39 1 5 3 34 2 6 4 39 2 7 5 12 1 8 5 26 1 9 5 27 1 10 5 28 1 11 6 23 1 12 6 32 1 13 6 33 1 14 7 8 1 15 7 9 1 16 7 14 1 17 7 43 1 18 8 13 1 19 8 16 1 20 8 21 1 21 9 10 1 22 9 18 1 23 9 44 1 24 10 11 1 25 10 17 1 26 10 45 1 27 11 15 1 28 11 20 1 29 11 24 1 30 12 13 1 31 12 14 1 32 12 46 1 33 13 47 1 34 14 48 1 35 14 49 1 36 15 19 1 37 15 22 1 38 15 50 1 39 16 17 1 40 16 51 1 41 16 52 1 42 17 53 1 43 17 54 1 44 18 19 1 45 18 55 1 46 18 56 1 47 19 57 1 48 19 58 1 49 20 23 1 50 20 59 1 51 20 60 1 52 21 61 1 53 21 62 1 54 21 63 1 55 22 25 1 56 22 64 1 57 22 65 1 58 23 25 1 59 23 66 1 60 24 67 1 61 24 68 1 62 24 69 1 63 25 70 1 64 26 29 1 65 26 71 1 66 26 72 1 67 27 30 1 68 27 73 1 69 27 74 1 70 28 75 1 71 28 76 1 72 28 77 1 73 29 31 1 74 29 78 1 75 29 79 1 76 30 31 1 77 30 80 1 78 30 81 1 79 31 82 1 80 31 83 1 81 32 35 1 82 32 84 1 83 32 85 1 84 33 36 1 85 33 86 1 86 33 87 1 87 34 38 1 88 35 37 1 89 35 88 1 90 35 89 1 91 36 37 1 92 36 90 1 93 36 91 1 94 37 92 1 95 37 93 1 96 38 40 1 97 38 94 1 98 38 95 1 99 39 41 1 100 40 42 1 101 40 96 1 102 40 97 1 103 41 98 1 104 41 99 1 105 41 100 1 106 42 101 1 107 42 102 1 108 42 103 1