@MOLECULE (1r,2r,7s,8ar)-7-isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2z)-3-(methylsulfanyl)acrylate 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.7986 0.9046 0.8023 S.3 1 UNL1111111111 0.1136 2 O -1.8580 0.1593 0.2039 O.3 1 UNL1111111111 -0.4357 3 O 5.3503 -1.2660 1.1884 O.2 1 UNL1111111111 -0.4563 4 O -3.1589 -1.1495 -1.0751 O.2 1 UNL1111111111 -0.5301 5 C 1.7936 -0.0364 -0.6278 C.3 1 UNL1111111111 0.0412 6 C 0.4310 0.5555 -0.1596 C.3 1 UNL1111111111 -0.1332 7 C 2.8971 0.9381 -0.1540 C.3 1 UNL1111111111 -0.2840 8 C 2.0036 -1.4082 -0.0201 C.2 1 UNL1111111111 0.1017 9 C -0.7011 -0.4625 -0.3835 C.3 1 UNL1111111111 0.1276 10 C 0.8671 -2.3797 -0.1211 C.3 1 UNL1111111111 -0.2935 11 C -0.4409 -1.7653 0.3730 C.3 1 UNL1111111111 -0.3174 12 C 4.3042 0.3327 -0.2518 C.3 1 UNL1111111111 -0.2448 13 C 1.8599 -0.1978 -2.1547 C.3 1 UNL1111111111 -0.4530 14 C 0.0819 1.8647 -0.8685 C.3 1 UNL1111111111 -0.4463 15 C 3.1650 -1.7911 0.5287 C.2 1 UNL1111111111 -0.3698 16 C 4.3635 -0.9401 0.5741 C.2 1 UNL1111111111 0.4827 17 C 5.3203 1.3614 0.1673 C.2 1 UNL1111111111 0.0990 18 C 5.4840 1.5944 1.6298 C.3 1 UNL1111111111 -0.4640 19 C -3.0607 -0.2819 -0.2391 C.2 1 UNL1111111111 0.6151 20 C 6.0295 2.0317 -0.7451 C.2 1 UNL1111111111 -0.3984 21 C -4.1618 0.4271 0.4239 C.2 1 UNL1111111111 -0.3015 22 C -5.4184 0.1178 0.0758 C.2 1 UNL1111111111 -0.1297 23 C -8.2027 0.1035 -0.0318 C.3 1 UNL1111111111 -0.5172 24 H 0.4997 0.7550 0.9406 H 1 UNL1111111111 0.1551 25 H 2.7009 1.2450 0.8928 H 1 UNL1111111111 0.1508 26 H 2.8576 1.8706 -0.7502 H 1 UNL1111111111 0.1557 27 H -0.8963 -0.6385 -1.4638 H 1 UNL1111111111 0.1459 28 H 0.7609 -2.7054 -1.1802 H 1 UNL1111111111 0.1629 29 H 1.0777 -3.3117 0.4444 H 1 UNL1111111111 0.1589 30 H -1.2850 -2.4672 0.2212 H 1 UNL1111111111 0.1629 31 H -0.4004 -1.5752 1.4631 H 1 UNL1111111111 0.1593 32 H 4.5030 0.0269 -1.3154 H 1 UNL1111111111 0.1734 33 H 1.8813 0.7754 -2.6591 H 1 UNL1111111111 0.1550 34 H 0.9976 -0.7489 -2.5457 H 1 UNL1111111111 0.1516 35 H 2.7613 -0.7416 -2.4618 H 1 UNL1111111111 0.1518 36 H -0.0471 1.7293 -1.9476 H 1 UNL1111111111 0.1475 37 H 0.8489 2.6310 -0.7154 H 1 UNL1111111111 0.1467 38 H -0.8627 2.2722 -0.4808 H 1 UNL1111111111 0.1582 39 H 3.3028 -2.7770 0.9738 H 1 UNL1111111111 0.1813 40 H 4.5300 1.5725 2.1708 H 1 UNL1111111111 0.1520 41 H 6.1152 0.7988 2.0698 H 1 UNL1111111111 0.1864 42 H 5.9709 2.5517 1.8535 H 1 UNL1111111111 0.1520 43 H 6.7584 2.7844 -0.4952 H 1 UNL1111111111 0.1509 44 H 5.9469 1.8780 -1.8067 H 1 UNL1111111111 0.1450 45 H -3.8788 1.1713 1.1677 H 1 UNL1111111111 0.1908 46 H -5.6184 -0.6492 -0.6854 H 1 UNL1111111111 0.1829 47 H -8.1980 0.2720 -1.1145 H 1 UNL1111111111 0.1701 48 H -8.2367 -0.9767 0.1495 H 1 UNL1111111111 0.1703 49 H -9.1301 0.5364 0.3675 H 1 UNL1111111111 0.1769 @BOND 1 1 22 1 2 1 23 1 3 2 9 1 4 2 19 1 5 3 16 2 6 4 19 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 13 1 11 6 9 1 12 6 14 1 13 6 24 1 14 7 12 1 15 7 25 1 16 7 26 1 17 8 10 1 18 8 15 2 19 9 11 1 20 9 27 1 21 10 11 1 22 10 28 1 23 10 29 1 24 11 30 1 25 11 31 1 26 12 16 1 27 12 17 1 28 12 32 1 29 13 33 1 30 13 34 1 31 13 35 1 32 14 36 1 33 14 37 1 34 14 38 1 35 15 16 1 36 15 39 1 37 17 18 1 38 17 20 2 39 18 40 1 40 18 41 1 41 18 42 1 42 19 21 1 43 20 43 1 44 20 44 1 45 21 22 2 46 21 45 1 47 22 46 1 48 23 47 1 49 23 48 1 50 23 49 1