@MOLECULE (e)-2-[(1s,5s,7r,8s,11r)-11-(2-hydroxy-2-propanyl)-8-methyl-5-(2-oxopropyl)-4-oxatricyclo[6.3.1.0~2,6~]dodec-2(6)-en-7-yl]vinyl 3-methyl-2-butenoate 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1771 2.2994 1.1830 O.3 1 UNL111111111111 -0.4312 2 O 4.5095 0.6408 -0.1701 O.3 1 UNL111111111111 -0.5731 3 O -3.6650 -0.7631 -0.1186 O.3 1 UNL111111111111 -0.4120 4 O -0.9173 4.1570 -1.3854 O.2 1 UNL111111111111 -0.4784 5 O -4.7544 -1.3174 -2.0063 O.2 1 UNL111111111111 -0.4988 6 C 0.7551 -2.2019 -0.4323 C.3 1 UNL111111111111 0.1007 7 C 2.4651 -1.2536 1.1810 C.3 1 UNL111111111111 -0.1076 8 C 1.3841 -2.3424 0.9702 C.3 1 UNL111111111111 -0.3000 9 C 3.6001 -1.5143 0.1583 C.3 1 UNL111111111111 -0.1383 10 C 0.0124 -0.8289 -0.5651 C.3 1 UNL111111111111 -0.1003 11 C 1.8670 -2.3157 -1.5017 C.3 1 UNL111111111111 -0.2972 12 C 3.0369 -1.3548 -1.2644 C.3 1 UNL111111111111 -0.2684 13 C 1.8064 0.0583 0.9693 C.2 1 UNL111111111111 -0.0413 14 C 0.7359 0.2369 0.1768 C.2 1 UNL111111111111 -0.1154 15 C 4.8567 -0.6301 0.3517 C.3 1 UNL111111111111 0.3346 16 C -0.2358 -3.3537 -0.6583 C.3 1 UNL111111111111 -0.4700 17 C 0.3367 1.6896 0.1896 C.3 1 UNL111111111111 0.1420 18 C 2.1923 1.3665 1.5917 C.3 1 UNL111111111111 -0.0472 19 C -1.3779 -0.8975 -0.0078 C.2 1 UNL111111111111 -0.2547 20 C 6.0438 -1.1848 -0.4545 C.3 1 UNL111111111111 -0.5139 21 C 5.2639 -0.4672 1.8217 C.3 1 UNL111111111111 -0.5117 22 C 0.6136 2.3644 -1.1592 C.3 1 UNL111111111111 -0.4307 23 C -2.4579 -0.7836 -0.7860 C.2 1 UNL111111111111 0.0868 24 C 0.1977 3.8145 -1.0786 C.2 1 UNL111111111111 0.5245 25 C 1.2253 4.7890 -0.5945 C.3 1 UNL111111111111 -0.5521 26 C -4.8100 -0.9996 -0.8467 C.2 1 UNL111111111111 0.6348 27 C -5.9960 -0.8400 -0.0171 C.2 1 UNL111111111111 -0.4064 28 C -6.0911 -0.0768 1.0869 C.2 1 UNL111111111111 0.2242 29 C -7.3798 0.0169 1.8327 C.3 1 UNL111111111111 -0.4819 30 C -4.9698 0.7215 1.6465 C.3 1 UNL111111111111 -0.4800 31 H 2.8664 -1.3345 2.2170 H 1 UNL111111111111 0.1382 32 H 0.6027 -2.2474 1.7455 H 1 UNL111111111111 0.1457 33 H 1.8222 -3.3466 1.0938 H 1 UNL111111111111 0.1378 34 H 3.9290 -2.5748 0.2969 H 1 UNL111111111111 0.1398 35 H -0.0188 -0.5663 -1.6553 H 1 UNL111111111111 0.1534 36 H 2.2481 -3.3547 -1.5163 H 1 UNL111111111111 0.1356 37 H 1.4398 -2.1403 -2.5064 H 1 UNL111111111111 0.1396 38 H 2.7158 -0.3041 -1.4208 H 1 UNL111111111111 0.1672 39 H 3.8266 -1.5344 -2.0152 H 1 UNL111111111111 0.1308 40 H -0.7628 -3.2458 -1.6131 H 1 UNL111111111111 0.1529 41 H 0.2688 -4.3245 -0.6657 H 1 UNL111111111111 0.1405 42 H -0.9987 -3.3919 0.1285 H 1 UNL111111111111 0.1546 43 H -0.7007 1.8679 0.5458 H 1 UNL111111111111 0.1539 44 H 3.1556 1.7596 1.2199 H 1 UNL111111111111 0.1552 45 H 2.1651 1.3694 2.6922 H 1 UNL111111111111 0.1348 46 H -1.4512 -1.0224 1.0693 H 1 UNL111111111111 0.1669 47 H 6.2850 -2.2101 -0.1596 H 1 UNL111111111111 0.1544 48 H 5.8203 -1.1886 -1.5283 H 1 UNL111111111111 0.1618 49 H 6.9448 -0.5803 -0.3144 H 1 UNL111111111111 0.1477 50 H 4.5236 0.1275 2.3713 H 1 UNL111111111111 0.1614 51 H 6.2241 0.0487 1.9199 H 1 UNL111111111111 0.1499 52 H 5.3572 -1.4369 2.3201 H 1 UNL111111111111 0.1560 53 H 0.0480 1.8477 -1.9602 H 1 UNL111111111111 0.1765 54 H 1.6860 2.2647 -1.4148 H 1 UNL111111111111 0.1749 55 H 5.2796 1.2369 -0.1861 H 1 UNL111111111111 0.3125 56 H -2.5087 -0.6783 -1.8625 H 1 UNL111111111111 0.1664 57 H 2.0837 4.8455 -1.2739 H 1 UNL111111111111 0.1685 58 H 0.8092 5.8002 -0.4907 H 1 UNL111111111111 0.1725 59 H 1.6104 4.4814 0.3934 H 1 UNL111111111111 0.1937 60 H -6.8538 -1.3995 -0.4003 H 1 UNL111111111111 0.1889 61 H -7.7768 1.0441 1.8086 H 1 UNL111111111111 0.1711 62 H -8.1644 -0.6387 1.4300 H 1 UNL111111111111 0.1628 63 H -7.2483 -0.2524 2.8917 H 1 UNL111111111111 0.1679 64 H -4.4352 1.2910 0.8649 H 1 UNL111111111111 0.1882 65 H -5.2826 1.4402 2.4135 H 1 UNL111111111111 0.1559 66 H -4.2087 0.0641 2.1032 H 1 UNL111111111111 0.1851 @BOND 1 1 17 1 2 1 18 1 3 2 15 1 4 2 55 1 5 3 23 1 6 3 26 1 7 4 24 2 8 5 26 2 9 6 8 1 10 6 10 1 11 6 11 1 12 6 16 1 13 7 8 1 14 7 9 1 15 7 13 1 16 7 31 1 17 8 32 1 18 8 33 1 19 9 12 1 20 9 15 1 21 9 34 1 22 10 14 1 23 10 19 1 24 10 35 1 25 11 12 1 26 11 36 1 27 11 37 1 28 12 38 1 29 12 39 1 30 13 14 2 31 13 18 1 32 14 17 1 33 15 20 1 34 15 21 1 35 16 40 1 36 16 41 1 37 16 42 1 38 17 22 1 39 17 43 1 40 18 44 1 41 18 45 1 42 19 23 2 43 19 46 1 44 20 47 1 45 20 48 1 46 20 49 1 47 21 50 1 48 21 51 1 49 21 52 1 50 22 24 1 51 22 53 1 52 22 54 1 53 23 56 1 54 24 25 1 55 25 57 1 56 25 58 1 57 25 59 1 58 26 27 1 59 27 28 2 60 27 60 1 61 28 29 1 62 28 30 1 63 29 61 1 64 29 62 1 65 29 63 1 66 30 64 1 67 30 65 1 68 30 66 1