@MOLECULE (1r,4ar,5r,8r,8ar)-8-(benzoyloxy)-5-[(3e)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid 66 68 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.0096 0.0041 0.0050 O.3 1 UNL111111 -0.4572 2 O 4.4524 0.0021 0.0022 O.3 1 UNL111111 -0.4802 3 O 3.5807 -0.0096 2.0450 O.2 1 UNL111111 -0.2504 4 O -0.4355 2.1335 0.6059 O.2 1 UNL111111 -0.2450 5 O 5.0754 3.2510 -6.7393 O.3 1 UNL111111 -0.2303 6 C 1.2798 -1.8395 -1.9223 C.3 1 UNL111111 -0.0184 7 C 2.0016 -0.8446 -0.9784 C.3 1 UNL111111 0.0179 8 C 2.5977 -1.4595 0.3110 C.3 1 UNL111111 0.0715 9 C 0.9651 -1.1014 -3.2683 C.3 1 UNL111111 -0.0140 10 C 2.2087 -3.0447 -2.1887 C.3 1 UNL111111 -0.0466 11 C 1.1718 0.4229 -0.7081 C.3 1 UNL111111 0.1114 12 C 3.4600 -2.6911 -0.0445 C.3 1 UNL111111 -0.0371 13 C 2.6724 -3.6986 -0.8842 C.3 1 UNL111111 -0.0515 14 C 0.7550 1.1041 -2.0152 C.3 1 UNL111111 0.0059 15 C -0.0635 -2.3650 -1.3948 C.3 1 UNL111111 -0.0586 16 C 0.1450 0.1277 -2.9708 C.2 1 UNL111111 -0.0695 17 C 2.2137 -0.7110 -4.0801 C.3 1 UNL111111 -0.0423 18 C 1.5938 -1.8085 1.4082 C.3 1 UNL111111 -0.0490 19 C 3.5476 -0.4313 0.9215 C.2 1 UNL111111 0.3111 20 C 1.8235 -0.0562 -5.4154 C.3 1 UNL111111 -0.0314 21 C -1.0476 0.3372 -3.5319 C.2 1 UNL111111 -0.0990 22 C 3.0611 0.2838 -6.1906 C.2 1 UNL111111 -0.0743 23 C -0.7384 0.9664 0.6101 C.2 1 UNL111111 0.3395 24 C 3.6773 -0.8357 -6.9678 C.3 1 UNL111111 -0.0437 25 C -1.9406 0.3965 1.2661 C.ar 1 UNL111111 0.0590 26 C 3.5578 1.5304 -6.1617 C.2 1 UNL111111 -0.0567 27 C 4.7830 1.9786 -6.8942 C.3 1 UNL111111 0.1013 28 C -2.8755 1.3069 1.7815 C.ar 1 UNL111111 -0.0472 29 C -2.1205 -0.9886 1.3625 C.ar 1 UNL111111 -0.0472 30 C -4.0425 0.8339 2.4147 C.ar 1 UNL111111 -0.0533 31 C -3.2742 -1.5029 1.9871 C.ar 1 UNL111111 -0.0533 32 C -4.0805 -0.5166 2.4230 C.ar 1 UNL111111 -0.0178 33 H 2.8995 -0.4863 -1.5766 H 1 UNL111111 0.0353 34 H 0.3680 -1.8100 -3.8959 H 1 UNL111111 0.0351 35 H 3.0989 -2.7254 -2.7658 H 1 UNL111111 0.0271 36 H 1.6902 -3.7843 -2.8245 H 1 UNL111111 0.0271 37 H 1.7252 1.1338 -0.0491 H 1 UNL111111 0.0740 38 H 3.8331 -3.1731 0.8784 H 1 UNL111111 0.0276 39 H 4.3629 -2.3703 -0.6058 H 1 UNL111111 0.0276 40 H 1.8091 -4.0898 -0.3157 H 1 UNL111111 0.0266 41 H 3.3052 -4.5784 -1.1078 H 1 UNL111111 0.0266 42 H 1.6401 1.5895 -2.4864 H 1 UNL111111 0.0346 43 H 0.0624 1.9444 -1.7931 H 1 UNL111111 0.0346 44 H -0.8101 -1.5625 -1.3286 H 1 UNL111111 0.0235 45 H 0.0368 -2.8154 -0.4024 H 1 UNL111111 0.0235 46 H -0.4775 -3.1305 -2.0598 H 1 UNL111111 0.0235 47 H 2.8617 -0.0202 -3.5070 H 1 UNL111111 0.0274 48 H 2.8336 -1.6051 -4.2825 H 1 UNL111111 0.0274 49 H 2.0935 -2.2476 2.2826 H 1 UNL111111 0.0240 50 H 1.0607 -0.9203 1.7723 H 1 UNL111111 0.0240 51 H 0.8463 -2.5292 1.0577 H 1 UNL111111 0.0240 52 H 1.1593 -0.7246 -5.9957 H 1 UNL111111 0.0310 53 H 1.2151 0.8530 -5.2264 H 1 UNL111111 0.0310 54 H -1.6554 1.2056 -3.3417 H 1 UNL111111 0.0535 55 H -1.5105 -0.3414 -4.2281 H 1 UNL111111 0.0535 56 H 5.0927 0.6680 0.3540 H 1 UNL111111 0.2951 57 H 4.7527 -0.9283 -6.7635 H 1 UNL111111 0.0274 58 H 3.2246 -1.8102 -6.7441 H 1 UNL111111 0.0274 59 H 3.5641 -0.6699 -8.0494 H 1 UNL111111 0.0274 60 H 3.0848 2.3248 -5.5835 H 1 UNL111111 0.0595 61 H 5.6821 1.3504 -6.6133 H 1 UNL111111 0.0636 62 H 4.6927 1.7565 -8.0046 H 1 UNL111111 0.0636 63 H -2.6985 2.3853 1.6994 H 1 UNL111111 0.0626 64 H -1.3757 -1.6823 0.9587 H 1 UNL111111 0.0626 65 H -4.7930 1.4935 2.8391 H 1 UNL111111 0.0624 66 H -3.4572 -2.5737 2.0893 H 1 UNL111111 0.0624 @BOND 1 36 10 1 2 46 15 1 3 41 13 1 4 40 13 1 5 58 24 1 6 34 9 1 7 66 31 1 8 10 13 1 9 10 35 1 10 10 6 1 11 15 45 1 12 15 44 1 13 15 6 1 14 13 12 1 15 52 20 1 16 55 21 1 17 59 24 1 18 24 57 1 19 24 22 1 20 48 17 1 21 6 9 1 22 6 7 1 23 9 17 1 24 9 16 1 25 31 29 ar 26 31 32 ar 27 64 29 1 28 51 18 1 29 21 16 2 30 21 54 1 31 20 17 1 32 20 22 1 33 20 53 1 34 17 47 1 35 29 25 ar 36 12 38 1 37 12 39 1 38 12 8 1 39 32 30 ar 40 22 26 2 41 16 14 1 42 18 49 1 43 18 8 1 44 18 50 1 45 7 8 1 46 7 33 1 47 7 11 1 48 8 19 1 49 1 11 1 50 1 23 1 51 25 28 ar 52 25 23 1 53 30 65 1 54 30 28 ar 55 62 27 1 56 26 27 1 57 26 60 1 58 14 11 1 59 14 43 1 60 14 42 1 61 11 37 1 62 61 27 1 63 28 63 1 64 23 4 2 65 27 5 1 66 19 2 1 67 19 3 2 68 2 56 1