@MOLECULE 2-[(4as,5s,6as,6bs,9as,10as,10bs,12s)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3,3-dimethylbutanoate 79 83 0 0 0 SMALL GASTEIGER @ATOM 1 F -2.8988 -0.1099 1.2148 F 1 UNL111111111111111 -0.2220 2 F -5.9605 1.3621 -1.3621 F 1 UNL111111111111111 -0.2076 3 O 1.1795 1.7852 1.0722 O.3 1 UNL111111111111111 -0.4688 4 O 0.7683 3.7719 -0.0271 O.3 1 UNL111111111111111 -0.4597 5 O -1.1892 -2.4320 -0.7761 O.3 1 UNL111111111111111 -0.5788 6 O 3.0539 1.1497 -1.7612 O.2 1 UNL111111111111111 -0.3993 7 O 4.6751 0.1282 0.0619 O.3 1 UNL111111111111111 -0.3876 8 O -7.1520 -1.8962 2.1328 O.2 1 UNL111111111111111 -0.4377 9 O 5.0450 -0.8633 2.0398 O.2 1 UNL111111111111111 -0.5148 10 C 0.1119 0.4000 -0.6006 C.3 1 UNL111111111111111 0.0575 11 C -1.1645 1.2898 -0.5902 C.3 1 UNL111111111111111 -0.1342 12 C -2.3913 0.4865 -1.0100 C.3 1 UNL111111111111111 -0.1570 13 C 1.2005 1.4676 -0.3022 C.3 1 UNL111111111111111 0.0701 14 C -2.5983 -0.6649 0.0123 C.3 1 UNL111111111111111 0.1903 15 C 0.7090 2.7653 -1.0180 C.3 1 UNL111111111111111 0.1109 16 C -0.7619 2.5196 -1.4195 C.3 1 UNL111111111111111 -0.3249 17 C -0.0400 -0.6692 0.4766 C.3 1 UNL111111111111111 -0.3561 18 C -1.3082 -1.5096 0.2827 C.3 1 UNL111111111111111 0.1276 19 C -3.8554 -1.5271 -0.3644 C.3 1 UNL111111111111111 -0.0047 20 C -3.6315 1.3837 -1.0772 C.3 1 UNL111111111111111 -0.3213 21 C 0.4178 -0.2112 -1.9706 C.3 1 UNL111111111111111 -0.4809 22 C 2.6151 1.0203 -0.6517 C.2 1 UNL111111111111111 0.4105 23 C -4.8802 0.5416 -1.3979 C.3 1 UNL111111111111111 0.0820 24 C 1.0611 3.2043 1.2427 C.3 1 UNL111111111111111 0.5152 25 C -5.0330 -0.5742 -0.3940 C.2 1 UNL111111111111111 0.0058 26 C -3.7394 -2.2122 -1.7350 C.3 1 UNL111111111111111 -0.4418 27 C -4.0117 -2.6264 0.6521 C.2 1 UNL111111111111111 -0.0817 28 C 3.3523 0.4022 0.5087 C.3 1 UNL111111111111111 -0.1320 29 C 2.4049 3.7517 1.7018 C.3 1 UNL111111111111111 -0.5117 30 C -0.0964 3.4531 2.1920 C.3 1 UNL111111111111111 -0.4987 31 C -6.0961 -0.7068 0.4047 C.2 1 UNL111111111111111 -0.2826 32 C -5.0736 -2.7528 1.4508 C.2 1 UNL111111111111111 -0.2859 33 C -6.1950 -1.7947 1.3995 C.2 1 UNL111111111111111 0.4698 34 C 5.4648 -0.5243 0.9635 C.2 1 UNL111111111111111 0.6091 35 C 6.8354 -0.7033 0.3969 C.3 1 UNL111111111111111 -0.3824 36 C 6.9800 -2.0884 -0.2866 C.3 1 UNL111111111111111 0.1508 37 C 8.4205 -2.2147 -0.8066 C.3 1 UNL111111111111111 -0.4664 38 C 6.0007 -2.1892 -1.4624 C.3 1 UNL111111111111111 -0.4717 39 C 6.7032 -3.2042 0.7277 C.3 1 UNL111111111111111 -0.4748 40 H -1.3224 1.6527 0.4631 H 1 UNL111111111111111 0.1689 41 H -2.2168 0.0298 -2.0151 H 1 UNL111111111111111 0.1594 42 H 1.3523 3.1170 -1.8439 H 1 UNL111111111111111 0.1581 43 H -0.8605 2.3456 -2.5014 H 1 UNL111111111111111 0.1515 44 H -1.3796 3.4027 -1.1830 H 1 UNL111111111111111 0.1671 45 H -0.0684 -0.1856 1.4810 H 1 UNL111111111111111 0.1887 46 H 0.8436 -1.3346 0.5108 H 1 UNL111111111111111 0.1549 47 H -1.4662 -2.1588 1.1831 H 1 UNL111111111111111 0.1466 48 H -3.4914 2.1676 -1.8475 H 1 UNL111111111111111 0.1591 49 H -3.7729 1.9371 -0.1251 H 1 UNL111111111111111 0.1747 50 H 1.2546 -0.9186 -1.9258 H 1 UNL111111111111111 0.1524 51 H 0.7039 0.5540 -2.7072 H 1 UNL111111111111111 0.1695 52 H -0.4492 -0.7347 -2.3931 H 1 UNL111111111111111 0.1611 53 H -4.8215 0.1193 -2.4416 H 1 UNL111111111111111 0.1460 54 H -3.3969 -1.5346 -2.5218 H 1 UNL111111111111111 0.1465 55 H -4.7071 -2.6303 -2.0425 H 1 UNL111111111111111 0.1583 56 H -3.0230 -3.0481 -1.7125 H 1 UNL111111111111111 0.1797 57 H -3.1885 -3.3459 0.6724 H 1 UNL111111111111111 0.1630 58 H -0.3111 -2.3891 -1.2032 H 1 UNL111111111111111 0.3321 59 H 2.8653 -0.5333 0.8497 H 1 UNL111111111111111 0.1662 60 H 3.4016 1.0933 1.3785 H 1 UNL111111111111111 0.1817 61 H -1.0413 3.0723 1.7797 H 1 UNL111111111111111 0.1689 62 H -0.2318 4.5261 2.3746 H 1 UNL111111111111111 0.1673 63 H 0.0661 2.9539 3.1556 H 1 UNL111111111111111 0.1699 64 H 3.1833 3.5815 0.9473 H 1 UNL111111111111111 0.1670 65 H 2.7283 3.2800 2.6368 H 1 UNL111111111111111 0.1677 66 H 2.3504 4.8358 1.8638 H 1 UNL111111111111111 0.1703 67 H -6.9540 -0.0317 0.3976 H 1 UNL111111111111111 0.1908 68 H -5.1793 -3.5578 2.1769 H 1 UNL111111111111111 0.1782 69 H 7.5803 -0.6070 1.2151 H 1 UNL111111111111111 0.1782 70 H 7.0684 0.0994 -0.3347 H 1 UNL111111111111111 0.1811 71 H 5.6766 -3.1618 1.1124 H 1 UNL111111111111111 0.1575 72 H 6.8430 -4.1939 0.2800 H 1 UNL111111111111111 0.1490 73 H 7.3688 -3.1365 1.5954 H 1 UNL111111111111111 0.1523 74 H 6.1082 -3.1419 -1.9908 H 1 UNL111111111111111 0.1479 75 H 6.1615 -1.3859 -2.1912 H 1 UNL111111111111111 0.1554 76 H 4.9583 -2.1110 -1.1329 H 1 UNL111111111111111 0.1526 77 H 8.5715 -3.1745 -1.3141 H 1 UNL111111111111111 0.1510 78 H 8.6609 -1.4257 -1.5271 H 1 UNL111111111111111 0.1480 79 H 9.1510 -2.1596 0.0071 H 1 UNL111111111111111 0.1471 @BOND 1 1 14 1 2 2 23 1 3 3 13 1 4 3 24 1 5 4 15 1 6 4 24 1 7 5 18 1 8 5 58 1 9 6 22 2 10 7 28 1 11 7 34 1 12 8 33 2 13 9 34 2 14 10 11 1 15 10 13 1 16 10 17 1 17 10 21 1 18 11 12 1 19 11 16 1 20 11 40 1 21 12 14 1 22 12 20 1 23 12 41 1 24 13 15 1 25 13 22 1 26 14 18 1 27 14 19 1 28 15 16 1 29 15 42 1 30 16 43 1 31 16 44 1 32 17 18 1 33 17 45 1 34 17 46 1 35 18 47 1 36 19 25 1 37 19 26 1 38 19 27 1 39 20 23 1 40 20 48 1 41 20 49 1 42 21 50 1 43 21 51 1 44 21 52 1 45 22 28 1 46 23 25 1 47 23 53 1 48 24 29 1 49 24 30 1 50 25 31 2 51 26 54 1 52 26 55 1 53 26 56 1 54 27 32 2 55 27 57 1 56 28 59 1 57 28 60 1 58 29 64 1 59 29 65 1 60 29 66 1 61 30 61 1 62 30 62 1 63 30 63 1 64 31 33 1 65 31 67 1 66 32 33 1 67 32 68 1 68 34 35 1 69 35 36 1 70 35 69 1 71 35 70 1 72 36 37 1 73 36 38 1 74 36 39 1 75 37 77 1 76 37 78 1 77 37 79 1 78 38 74 1 79 38 75 1 80 38 76 1 81 39 71 1 82 39 72 1 83 39 73 1