@MOLECULE (2ar,4s,4ar,9s,10bs,10cs)-4,10b-dihydroxy-9-isopropenyl-4-methyl-2a,3,4,4a,6,8,9,10,10b,10c-decahydro-1h-cyclohepta[5,6]indeno[1,7-bc]furan-1,5,7-trione 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9069 -2.7309 -0.8509 O.3 1 UNL1111111111 -0.3856 2 O -1.0188 0.8317 -1.4035 O.3 1 UNL1111111111 -0.6010 3 O -0.4931 -1.9416 2.3361 O.3 1 UNL1111111111 -0.5184 4 O -2.3871 2.1403 1.6877 O.2 1 UNL1111111111 -0.4367 5 O 1.1278 -2.8778 0.0227 O.2 1 UNL1111111111 -0.4348 6 O 0.5668 3.0655 -1.1325 O.2 1 UNL1111111111 -0.4845 7 C -2.0017 -1.2292 0.6933 C.3 1 UNL1111111111 -0.1753 8 C -2.5206 0.1710 0.3732 C.3 1 UNL1111111111 -0.2968 9 C -2.1377 -2.0370 -0.6285 C.3 1 UNL1111111111 0.1210 10 C -2.3246 0.3702 -1.1671 C.3 1 UNL1111111111 0.3652 11 C -0.5057 -1.3366 1.0627 C.3 1 UNL1111111111 0.1711 12 C -2.3548 -1.0486 -1.7727 C.3 1 UNL1111111111 -0.3617 13 C 0.2917 -0.0642 1.0953 C.2 1 UNL1111111111 -0.0096 14 C -1.7948 1.2402 1.1472 C.2 1 UNL1111111111 0.4767 15 C -0.3178 1.1306 1.1591 C.2 1 UNL1111111111 -0.0936 16 C 0.0464 -2.3677 0.0501 C.2 1 UNL1111111111 0.5496 17 C -3.3503 1.3233 -1.7604 C.3 1 UNL1111111111 -0.5223 18 C 1.7817 -0.1738 1.0548 C.3 1 UNL1111111111 -0.3082 19 C 0.4194 2.4256 1.1477 C.3 1 UNL1111111111 -0.3829 20 C 2.3114 0.3421 -0.3066 C.3 1 UNL1111111111 -0.0857 21 C 2.4601 1.8758 -0.3270 C.3 1 UNL1111111111 -0.3913 22 C 1.1066 2.5194 -0.2023 C.2 1 UNL1111111111 0.5186 23 C 3.6273 -0.3299 -0.6083 C.2 1 UNL1111111111 0.0322 24 C 4.8369 0.1779 0.1044 C.3 1 UNL1111111111 -0.4541 25 C 3.6897 -1.3498 -1.4671 C.2 1 UNL1111111111 -0.3408 26 H -2.5987 -1.6891 1.5176 H 1 UNL1111111111 0.1841 27 H -3.6129 0.2282 0.6050 H 1 UNL1111111111 0.1811 28 H -2.8933 -2.8439 -0.5828 H 1 UNL1111111111 0.1468 29 H -1.5428 -1.1475 -2.5286 H 1 UNL1111111111 0.1991 30 H -3.2932 -1.2431 -2.3128 H 1 UNL1111111111 0.1584 31 H -3.3492 2.2927 -1.2422 H 1 UNL1111111111 0.1691 32 H -4.3702 0.9283 -1.6996 H 1 UNL1111111111 0.1625 33 H -3.1361 1.5201 -2.8200 H 1 UNL1111111111 0.1692 34 H 2.2418 0.3963 1.8874 H 1 UNL1111111111 0.1598 35 H 2.1289 -1.2204 1.2040 H 1 UNL1111111111 0.1788 36 H -0.2673 3.2921 1.2955 H 1 UNL1111111111 0.1961 37 H 1.1451 2.4884 1.9836 H 1 UNL1111111111 0.1765 38 H -0.9574 1.8070 -1.5001 H 1 UNL1111111111 0.3555 39 H 0.4298 -2.1129 2.6357 H 1 UNL1111111111 0.3300 40 H 1.5649 0.0600 -1.1012 H 1 UNL1111111111 0.1715 41 H 2.9401 2.1825 -1.2823 H 1 UNL1111111111 0.1800 42 H 3.1356 2.2225 0.4763 H 1 UNL1111111111 0.1650 43 H 5.1989 1.1140 -0.3445 H 1 UNL1111111111 0.1545 44 H 4.6383 0.3703 1.1665 H 1 UNL1111111111 0.1492 45 H 5.6721 -0.5356 0.0614 H 1 UNL1111111111 0.1548 46 H 4.5976 -1.8783 -1.7066 H 1 UNL1111111111 0.1477 47 H 2.8314 -1.7523 -1.9849 H 1 UNL1111111111 0.1588 @BOND 1 1 9 1 2 1 16 1 3 2 10 1 4 2 38 1 5 3 11 1 6 3 39 1 7 4 14 2 8 5 16 2 9 6 22 2 10 7 8 1 11 7 9 1 12 7 11 1 13 7 26 1 14 8 10 1 15 8 14 1 16 8 27 1 17 9 12 1 18 9 28 1 19 10 12 1 20 10 17 1 21 11 13 1 22 11 16 1 23 12 29 1 24 12 30 1 25 13 15 2 26 13 18 1 27 14 15 1 28 15 19 1 29 17 31 1 30 17 32 1 31 17 33 1 32 18 20 1 33 18 34 1 34 18 35 1 35 19 22 1 36 19 36 1 37 19 37 1 38 20 21 1 39 20 23 1 40 20 40 1 41 21 22 1 42 21 41 1 43 21 42 1 44 23 24 1 45 23 25 2 46 24 43 1 47 24 44 1 48 24 45 1 49 25 46 1 50 25 47 1