@MOLECULE (5alpha,7alpha,8xi,13alpha,17alpha)-17-(3-furyl)-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate 63 67 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.1089 -3.0046 -0.0993 O.3 1 UNL111111 -0.3131 2 O 4.8398 -2.1281 -0.8403 O.2 1 UNL111111 -0.4501 3 O -5.2679 2.0704 -0.7743 O.2 1 UNL111111 -0.4484 4 O 5.2537 2.6307 -2.0204 O.2 1 UNL111111 -0.2671 5 O -0.7033 -3.7658 -2.1619 O.2 1 UNL111111 -0.2442 6 C 0.3581 -0.7975 0.5591 C.3 1 UNL111111 0.0284 7 C -0.0509 0.6894 0.3142 C.3 1 UNL111111 -0.1297 8 C -1.5810 0.9566 0.3097 C.3 1 UNL111111 0.0325 9 C -2.2205 0.0219 -0.7608 C.3 1 UNL111111 -0.1338 10 C 2.7790 0.1463 1.0115 C.3 1 UNL111111 0.0685 11 C -0.3868 -1.6553 -0.5059 C.3 1 UNL111111 0.1073 12 C 1.8439 -0.8676 0.3466 C.2 1 UNL111111 0.0487 13 C 0.7218 1.5939 1.2863 C.3 1 UNL111111 -0.2723 14 C -1.9011 -1.4463 -0.4748 C.3 1 UNL111111 -0.3462 15 C 2.2138 1.5663 0.9350 C.3 1 UNL111111 -0.2887 16 C -3.7392 0.2501 -0.9797 C.3 1 UNL111111 -0.0144 17 C 4.1351 -0.0495 0.2336 C.3 1 UNL111111 -0.2044 18 C 0.0506 -1.3567 1.9511 C.3 1 UNL111111 -0.4497 19 C -2.2092 0.8328 1.7002 C.3 1 UNL111111 -0.4582 20 C -1.8383 2.3717 -0.1675 C.2 1 UNL111111 -0.0671 21 C 2.5170 -1.7497 -0.4087 C.2 1 UNL111111 -0.3848 22 C 3.0204 -0.2524 2.4750 C.3 1 UNL111111 -0.4618 23 C 3.9628 -1.4248 -0.4265 C.2 1 UNL111111 0.5008 24 C -4.1042 1.7300 -0.8061 C.2 1 UNL111111 0.4491 25 C -3.0146 2.7131 -0.6945 C.2 1 UNL111111 -0.3077 26 C -4.6295 -0.5750 -0.0474 C.3 1 UNL111111 -0.4592 27 C -4.0905 -0.0919 -2.4400 C.3 1 UNL111111 -0.4574 28 C 4.3668 0.9354 -0.8372 C.ar 1 UNL111111 -0.0688 29 C -0.2750 -3.9769 -1.0370 C.2 1 UNL111111 0.0981 30 C 3.6414 1.0494 -2.0317 C.ar 1 UNL111111 -0.6132 31 C 5.3573 1.9212 -0.8438 C.ar 1 UNL111111 -0.2229 32 C 0.1397 -5.2617 -0.5322 C.3 1 UNL111111 0.9986 33 C 4.2563 2.1447 -2.7877 C.ar 1 UNL111111 0.0679 34 H 0.3090 0.9426 -0.7251 H 1 UNL111111 0.1764 35 H -1.7201 0.2897 -1.7351 H 1 UNL111111 0.1665 36 H 0.0297 -1.4925 -1.5220 H 1 UNL111111 0.1754 37 H 0.5619 1.2808 2.3336 H 1 UNL111111 0.1330 38 H 0.3524 2.6366 1.2371 H 1 UNL111111 0.1473 39 H -2.3201 -1.7661 0.4970 H 1 UNL111111 0.1556 40 H -2.3789 -2.0963 -1.2357 H 1 UNL111111 0.1531 41 H 2.3607 1.9879 -0.0835 H 1 UNL111111 0.2032 42 H 2.7825 2.2380 1.6060 H 1 UNL111111 0.1569 43 H 4.9911 -0.0713 0.9423 H 1 UNL111111 0.1669 44 H -0.9838 -1.7070 2.0387 H 1 UNL111111 0.1385 45 H 0.7051 -2.2166 2.1762 H 1 UNL111111 0.1477 46 H 0.2077 -0.6081 2.7360 H 1 UNL111111 0.1697 47 H -3.2386 1.2155 1.7134 H 1 UNL111111 0.1568 48 H -2.2458 -0.2036 2.0441 H 1 UNL111111 0.1410 49 H -1.6490 1.4098 2.4471 H 1 UNL111111 0.1611 50 H -1.0247 3.0875 -0.0517 H 1 UNL111111 0.1731 51 H 2.1496 -2.5904 -0.9619 H 1 UNL111111 0.1347 52 H 3.3170 -1.3035 2.5618 H 1 UNL111111 0.1382 53 H 3.8173 0.3574 2.9206 H 1 UNL111111 0.1666 54 H 2.1277 -0.1084 3.0901 H 1 UNL111111 0.1373 55 H -3.2532 3.7183 -1.0392 H 1 UNL111111 0.1855 56 H -4.3545 -0.4490 1.0023 H 1 UNL111111 0.1483 57 H -5.6828 -0.2589 -0.1373 H 1 UNL111111 0.1779 58 H -4.5964 -1.6408 -0.2888 H 1 UNL111111 0.1373 59 H -3.8527 -1.1327 -2.6763 H 1 UNL111111 0.1424 60 H -5.1633 0.0491 -2.6256 H 1 UNL111111 0.1679 61 H -3.5503 0.5441 -3.1525 H 1 UNL111111 0.1605 62 H 2.8286 0.4522 -2.3691 H 1 UNL111111 0.1132 63 H 6.1375 2.2156 -0.1871 H 1 UNL111111 0.1313 @BOND 1 61 27 1 2 33 30 ar 3 33 4 ar 4 59 27 1 5 60 27 1 6 27 16 1 7 62 30 1 8 5 29 2 9 30 28 ar 10 4 31 ar 11 35 9 1 12 36 11 1 13 40 14 1 14 29 32 1 15 29 1 1 16 55 25 1 17 16 24 1 18 16 9 1 19 16 26 1 20 51 21 1 21 31 28 ar 22 31 63 1 23 2 23 2 24 28 17 1 25 24 3 2 26 24 25 1 27 9 14 1 28 9 8 1 29 34 7 1 30 25 20 2 31 11 14 1 32 11 1 1 33 11 6 1 34 14 39 1 35 23 21 1 36 23 17 1 37 21 12 2 38 58 26 1 39 20 50 1 40 20 8 1 41 57 26 1 42 41 15 1 43 26 56 1 44 17 43 1 45 17 10 1 46 8 7 1 47 8 19 1 48 7 6 1 49 7 13 1 50 12 6 1 51 12 10 1 52 6 18 1 53 15 10 1 54 15 13 1 55 15 42 1 56 10 22 1 57 38 13 1 58 13 37 1 59 19 47 1 60 19 48 1 61 19 49 1 62 18 44 1 63 18 45 1 64 18 46 1 65 22 52 1 66 22 53 1 67 22 54 1