@MOLECULE (3beta,17beta)-androst-4-ene-3,17-diyl bis(3-cyclopentylpropanoate) 93 98 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.4569 -1.0734 -0.7332 C.3 1 UNL1 -0.1186 2 C -1.7327 -1.4760 0.0051 C.3 1 UNL1 -0.1452 3 C 0.0264 0.2639 -0.1108 C.3 1 UNL1 -0.1279 4 C -2.8572 -0.4239 -0.2157 C.3 1 UNL1 0.0447 5 C 1.3619 0.7447 -0.7550 C.3 1 UNL1 0.0565 6 C -4.0313 -1.1469 0.4983 C.3 1 UNL1 0.1102 7 C 4.0883 1.0283 0.4455 C.3 1 UNL1 0.1550 8 C -7.5141 -0.1592 -0.1133 C.3 1 UNL1 -0.3463 9 C -8.8098 -0.3026 0.6890 C.3 1 UNL1 -0.2757 10 C 7.7485 0.8216 0.0733 C.3 1 UNL1 -0.3471 11 C 8.8620 0.2974 0.9832 C.3 1 UNL1 -0.2765 12 C -3.2259 -0.1962 -1.6842 C.3 1 UNL1 -0.4439 13 C 1.1999 1.1166 -2.2382 C.3 1 UNL1 -0.4545 14 O -6.3720 -1.1273 1.8043 O.2 1 UNL1 -0.5135 15 O 6.1703 -0.1720 1.6340 O.2 1 UNL1 -0.5168 16 C -1.0722 1.3425 -0.1948 C.3 1 UNL1 -0.2778 17 C 0.6210 -2.1528 -0.5652 C.3 1 UNL1 -0.2745 18 C -2.4028 0.8858 0.4322 C.3 1 UNL1 -0.2925 19 C -2.4061 -2.8115 -0.3507 C.3 1 UNL1 -0.2747 20 C -3.8556 -2.6471 0.1624 C.3 1 UNL1 -0.3155 21 C 1.9271 -1.7024 -1.2262 C.3 1 UNL1 -0.2885 22 C 1.8502 1.9958 0.0236 C.3 1 UNL1 -0.2884 23 C 3.3513 2.2349 -0.1432 C.3 1 UNL1 -0.3011 24 C -11.3284 0.0088 0.6716 C.3 1 UNL1 -0.2773 25 C -9.9402 1.8265 -0.1804 C.3 1 UNL1 -0.2764 26 C -12.2842 1.1295 0.2295 C.3 1 UNL1 -0.2651 27 C -11.4019 2.3096 -0.2266 C.3 1 UNL1 -0.2654 28 C 11.3697 0.1475 1.3423 C.3 1 UNL1 -0.2776 29 C 10.4865 -0.4656 -0.8470 C.3 1 UNL1 -0.2758 30 C 12.5722 -0.2671 0.4774 C.3 1 UNL1 -0.2654 31 C 12.0083 -0.6959 -0.8929 C.3 1 UNL1 -0.2655 32 C -6.3638 -0.7095 0.6757 C.2 1 UNL1 0.6107 33 C 6.4125 0.5401 0.6938 C.2 1 UNL1 0.6149 34 O -5.2412 -0.6661 -0.0847 O.3 1 UNL1 -0.4497 35 O 5.4520 1.2234 0.0264 O.3 1 UNL1 -0.4583 36 C -10.0024 0.2889 -0.0659 C.3 1 UNL1 -0.0920 37 C 10.2406 0.4825 0.3450 C.3 1 UNL1 -0.0919 38 C 3.5831 -0.2556 -0.1223 C.2 1 UNL1 -0.2729 39 C 2.3654 -0.3853 -0.6591 C.2 1 UNL1 0.0237 40 H -0.6663 -0.9315 -1.8163 H 1 UNL1 0.1412 41 H -1.4920 -1.5070 1.1003 H 1 UNL1 0.1423 42 H 0.2384 0.0709 0.9712 H 1 UNL1 0.1422 43 H -0.7347 2.2635 0.3153 H 1 UNL1 0.1353 44 H -1.2412 1.6258 -1.2501 H 1 UNL1 0.1415 45 H -4.0459 -0.9559 1.5897 H 1 UNL1 0.1425 46 H 0.7947 -2.3599 0.5080 H 1 UNL1 0.1459 47 H 0.2784 -3.1050 -1.0093 H 1 UNL1 0.1375 48 H -3.1710 1.6694 0.3004 H 1 UNL1 0.1426 49 H -2.2832 0.7602 1.5239 H 1 UNL1 0.1398 50 H -2.3835 -2.9951 -1.4363 H 1 UNL1 0.1398 51 H -1.9001 -3.6657 0.1220 H 1 UNL1 0.1374 52 H -4.0461 -3.2725 1.0479 H 1 UNL1 0.1483 53 H -4.5872 -2.9583 -0.6006 H 1 UNL1 0.1519 54 H 2.7054 -2.4800 -1.0903 H 1 UNL1 0.1471 55 H 1.7934 -1.6120 -2.3239 H 1 UNL1 0.1499 56 H 1.2921 2.8879 -0.3156 H 1 UNL1 0.1423 57 H 1.6148 1.8822 1.0999 H 1 UNL1 0.1441 58 H -3.5959 -1.1153 -2.1528 H 1 UNL1 0.1497 59 H -4.0240 0.5517 -1.7718 H 1 UNL1 0.1519 60 H -2.3741 0.1564 -2.2734 H 1 UNL1 0.1431 61 H 0.5743 2.0052 -2.3665 H 1 UNL1 0.1446 62 H 2.1744 1.3309 -2.6935 H 1 UNL1 0.1508 63 H 0.7401 0.3054 -2.8121 H 1 UNL1 0.1473 64 H 4.2858 -1.0841 -0.0587 H 1 UNL1 0.1658 65 H 3.6651 3.1679 0.3568 H 1 UNL1 0.1459 66 H 3.6197 2.3590 -1.2103 H 1 UNL1 0.1590 67 H 4.0591 1.0191 1.5611 H 1 UNL1 0.1472 68 H -7.5910 -0.6793 -1.0912 H 1 UNL1 0.1758 69 H -7.3195 0.9057 -0.3638 H 1 UNL1 0.1774 70 H -8.9970 -1.3723 0.9139 H 1 UNL1 0.1531 71 H -8.6979 0.1810 1.6810 H 1 UNL1 0.1582 72 H 7.8666 1.9086 -0.1177 H 1 UNL1 0.1756 73 H 7.7973 0.3421 -0.9282 H 1 UNL1 0.1778 74 H -10.0535 -0.1532 -1.0868 H 1 UNL1 0.1317 75 H 8.8249 0.8185 1.9611 H 1 UNL1 0.1507 76 H 8.6846 -0.7717 1.2230 H 1 UNL1 0.1607 77 H -11.1819 0.0348 1.7651 H 1 UNL1 0.1404 78 H -11.7248 -0.9888 0.4339 H 1 UNL1 0.1319 79 H -9.3803 2.1435 -1.0720 H 1 UNL1 0.1290 80 H -9.4180 2.2614 0.6887 H 1 UNL1 0.1389 81 H 10.3564 1.5365 0.0049 H 1 UNL1 0.1316 82 H -12.9301 0.7877 -0.5960 H 1 UNL1 0.1310 83 H -12.9598 1.4248 1.0468 H 1 UNL1 0.1320 84 H -11.5466 3.1873 0.4227 H 1 UNL1 0.1315 85 H -11.6784 2.6322 -1.2431 H 1 UNL1 0.1295 86 H 11.0702 -0.6797 2.0086 H 1 UNL1 0.1401 87 H 11.6056 1.0021 1.9924 H 1 UNL1 0.1314 88 H 10.1109 -0.0415 -1.7892 H 1 UNL1 0.1293 89 H 9.9560 -1.4220 -0.7006 H 1 UNL1 0.1397 90 H 13.2774 0.5719 0.3608 H 1 UNL1 0.1305 91 H 13.1406 -1.0827 0.9502 H 1 UNL1 0.1318 92 H 12.2415 -1.7505 -1.1067 H 1 UNL1 0.1312 93 H 12.4703 -0.1094 -1.7032 H 1 UNL1 0.1296 @BOND 1 63 13 1 2 62 13 1 3 61 13 1 4 55 21 1 5 60 12 1 6 13 5 1 7 58 12 1 8 40 1 1 9 88 29 1 10 59 12 1 11 93 31 1 12 12 4 1 13 50 19 1 14 44 16 1 15 85 27 1 16 21 54 1 17 21 39 1 18 21 17 1 19 66 23 1 20 92 31 1 21 68 8 1 22 74 36 1 23 79 25 1 24 47 17 1 25 73 10 1 26 31 29 1 27 31 30 1 28 29 89 1 29 29 37 1 30 5 39 1 31 5 3 1 32 5 22 1 33 1 17 1 34 1 3 1 35 1 2 1 36 39 38 2 37 53 20 1 38 82 26 1 39 17 46 1 40 69 8 1 41 19 2 1 42 19 51 1 43 19 20 1 44 56 22 1 45 27 25 1 46 27 26 1 47 27 84 1 48 4 2 1 49 4 18 1 50 4 6 1 51 16 3 1 52 16 43 1 53 16 18 1 54 25 36 1 55 25 80 1 56 23 22 1 57 23 65 1 58 23 7 1 59 38 64 1 60 38 7 1 61 72 10 1 62 8 32 1 63 8 9 1 64 3 42 1 65 34 6 1 66 34 32 1 67 36 24 1 68 36 9 1 69 81 37 1 70 2 41 1 71 22 57 1 72 35 7 1 73 35 33 1 74 10 33 1 75 10 11 1 76 20 6 1 77 20 52 1 78 26 24 1 79 26 83 1 80 48 18 1 81 37 11 1 82 37 28 1 83 90 30 1 84 18 49 1 85 78 24 1 86 7 67 1 87 30 91 1 88 30 28 1 89 6 45 1 90 24 77 1 91 32 14 2 92 9 70 1 93 9 71 1 94 33 15 2 95 11 76 1 96 11 75 1 97 28 87 1 98 28 86 1