@MOLECULE (3beta)-17-acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-cyclopentylpropanoate 83 87 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.3587 -0.5758 0.7593 C.3 1 UNL1 -0.1295 2 C 2.0047 0.0038 1.1692 C.3 1 UNL1 -0.1294 3 C 4.3511 0.5737 0.4180 C.3 1 UNL1 0.0631 4 C 1.4426 0.7411 -0.0752 C.3 1 UNL1 -0.1316 5 C 5.6600 -0.2588 0.2002 C.3 1 UNL1 0.1466 6 C -0.0072 1.2274 0.2051 C.3 1 UNL1 0.0598 7 C -2.6847 0.7605 -1.0448 C.3 1 UNL1 0.1505 8 C -6.2856 0.4866 -0.3095 C.3 1 UNL1 -0.3467 9 C -7.4170 -0.3535 -0.9065 C.3 1 UNL1 -0.2771 10 C 4.5965 1.5520 1.5708 C.3 1 UNL1 -0.4676 11 C -0.0899 2.1373 1.4400 C.3 1 UNL1 -0.4546 12 C -1.1748 -2.0400 1.9557 C.3 1 UNL1 -0.4468 13 C 7.4656 1.1778 -0.9754 C.3 1 UNL1 -0.5467 14 C 5.9176 -2.1273 -2.9544 C.3 1 UNL1 -0.5108 15 O 7.4474 0.7878 1.3576 O.2 1 UNL1 -0.4492 16 O 7.4289 -1.9355 -1.0703 O.2 1 UNL1 -0.5074 17 O -4.7134 -0.9546 -1.4825 O.2 1 UNL1 -0.5181 18 C 4.1345 -1.4446 1.7593 C.3 1 UNL1 -0.2737 19 C 3.8146 1.3220 -0.8051 C.3 1 UNL1 -0.2885 20 C 2.4015 1.8635 -0.5102 C.3 1 UNL1 -0.2745 21 C 5.5952 -1.3841 1.2543 C.3 1 UNL1 -0.3075 22 C -0.5269 1.9950 -1.0342 C.3 1 UNL1 -0.2859 23 C -2.0475 2.1515 -1.0165 C.3 1 UNL1 -0.3007 24 C -9.9317 -0.6867 -1.0192 C.3 1 UNL1 -0.2776 25 C -8.9058 -0.4295 1.1795 C.3 1 UNL1 -0.2761 26 C -11.0666 -0.7791 0.0150 C.3 1 UNL1 -0.2652 27 C -10.4086 -0.6784 1.4065 C.3 1 UNL1 -0.2652 28 C 6.9286 0.5873 0.2883 C.2 1 UNL1 0.4635 29 C 6.4045 -1.6463 -1.6300 C.2 1 UNL1 0.6316 30 C -4.9682 0.0587 -0.8846 C.2 1 UNL1 0.6162 31 O 5.4978 -0.7785 -1.1169 O.3 1 UNL1 -0.4535 32 O -4.0402 1.0111 -0.6272 O.3 1 UNL1 -0.4579 33 C -8.7684 0.0182 -0.2906 C.3 1 UNL1 -0.0921 34 C -0.2595 -1.0148 1.3671 C.2 1 UNL1 -0.0027 35 C 1.0520 -1.0365 1.6519 C.2 1 UNL1 -0.1940 36 C -2.0535 -0.1928 -0.0854 C.2 1 UNL1 -0.2422 37 C -0.8486 -0.0094 0.4717 C.2 1 UNL1 -0.0041 38 H 3.2014 -1.1898 -0.1664 H 1 UNL1 0.1516 39 H 2.1501 0.7392 2.0036 H 1 UNL1 0.1573 40 H 1.3800 -0.0006 -0.9122 H 1 UNL1 0.1448 41 H 4.0495 -1.0528 2.7857 H 1 UNL1 0.1441 42 H 3.7565 -2.4774 1.7849 H 1 UNL1 0.1389 43 H 4.4861 2.1527 -1.0837 H 1 UNL1 0.1364 44 H 3.7803 0.6506 -1.6847 H 1 UNL1 0.1509 45 H 2.0161 2.3649 -1.4166 H 1 UNL1 0.1348 46 H 2.4517 2.6448 0.2700 H 1 UNL1 0.1422 47 H 1.4871 -1.8023 2.2897 H 1 UNL1 0.1517 48 H 5.9164 -2.3482 0.8280 H 1 UNL1 0.1599 49 H 6.2967 -1.1801 2.0860 H 1 UNL1 0.1732 50 H 5.0798 1.0641 2.4284 H 1 UNL1 0.1666 51 H 5.2479 2.3790 1.2651 H 1 UNL1 0.1504 52 H 3.6638 1.9959 1.9354 H 1 UNL1 0.1539 53 H -0.0535 2.9936 -1.0796 H 1 UNL1 0.1432 54 H -0.2196 1.4652 -1.9568 H 1 UNL1 0.1436 55 H 0.5646 3.0080 1.3439 H 1 UNL1 0.1438 56 H -1.1134 2.5011 1.5913 H 1 UNL1 0.1517 57 H 0.1911 1.6015 2.3543 H 1 UNL1 0.1532 58 H -2.6590 -1.0786 0.1091 H 1 UNL1 0.1696 59 H -2.3942 2.7556 -1.8738 H 1 UNL1 0.1452 60 H -2.3802 2.6990 -0.1120 H 1 UNL1 0.1615 61 H -2.7070 0.3298 -2.0749 H 1 UNL1 0.1467 62 H -0.6863 -2.6444 2.7310 H 1 UNL1 0.1517 63 H -2.0534 -1.5703 2.4212 H 1 UNL1 0.1569 64 H -1.5395 -2.7369 1.1862 H 1 UNL1 0.1607 65 H 8.1959 0.4863 -1.4309 H 1 UNL1 0.1926 66 H 6.6849 1.3764 -1.7192 H 1 UNL1 0.1706 67 H 8.0048 2.1164 -0.7783 H 1 UNL1 0.1800 68 H 5.1845 -1.4442 -3.4103 H 1 UNL1 0.1840 69 H 6.7557 -2.2535 -3.6570 H 1 UNL1 0.1845 70 H 5.4257 -3.1083 -2.8493 H 1 UNL1 0.1878 71 H -6.4563 1.5689 -0.4896 H 1 UNL1 0.1759 72 H -6.2540 0.3759 0.7964 H 1 UNL1 0.1785 73 H -7.4517 -0.2134 -2.0055 H 1 UNL1 0.1499 74 H -7.2060 -1.4334 -0.7624 H 1 UNL1 0.1605 75 H -8.9154 1.1204 -0.3526 H 1 UNL1 0.1319 76 H -9.6307 -1.6944 -1.3535 H 1 UNL1 0.1400 77 H -10.2402 -0.1381 -1.9206 H 1 UNL1 0.1315 78 H -8.5104 0.3265 1.8733 H 1 UNL1 0.1295 79 H -8.3305 -1.3531 1.3613 H 1 UNL1 0.1393 80 H -11.7939 0.0366 -0.1297 H 1 UNL1 0.1309 81 H -11.6317 -1.7174 -0.0950 H 1 UNL1 0.1320 82 H -10.5717 -1.5978 1.9905 H 1 UNL1 0.1315 83 H -10.8588 0.1400 1.9910 H 1 UNL1 0.1299 @BOND 1 69 14 1 2 68 14 1 3 14 70 1 4 14 29 1 5 61 7 1 6 73 9 1 7 54 22 1 8 77 24 1 9 59 23 1 10 66 13 1 11 44 19 1 12 29 31 1 13 29 16 2 14 17 30 2 15 65 13 1 16 45 20 1 17 76 24 1 18 31 5 1 19 43 19 1 20 53 22 1 21 7 23 1 22 7 32 1 23 7 36 1 24 22 23 1 25 22 6 1 26 24 33 1 27 24 26 1 28 23 60 1 29 13 67 1 30 13 28 1 31 40 4 1 32 9 74 1 33 9 8 1 34 9 33 1 35 30 32 1 36 30 8 1 37 19 20 1 38 19 3 1 39 20 4 1 40 20 46 1 41 71 8 1 42 75 33 1 43 8 72 1 44 33 25 1 45 38 1 1 46 80 26 1 47 81 26 1 48 36 58 1 49 36 37 2 50 4 6 1 51 4 2 1 52 26 27 1 53 5 28 1 54 5 3 1 55 5 21 1 56 6 37 1 57 6 11 1 58 28 15 2 59 3 1 1 60 3 10 1 61 37 34 1 62 1 2 1 63 1 18 1 64 48 21 1 65 2 35 1 66 2 39 1 67 25 79 1 68 25 27 1 69 25 78 1 70 64 12 1 71 21 18 1 72 21 49 1 73 51 10 1 74 55 11 1 75 34 35 2 76 34 12 1 77 27 82 1 78 27 83 1 79 11 56 1 80 11 57 1 81 10 52 1 82 10 50 1 83 35 47 1 84 18 42 1 85 18 41 1 86 12 63 1 87 12 62 1