@MOLECULE (2r,6as)-7-isopropenyl-2,5-dimethyl-10-methylene-2,3,6a,7,8,9,10,10a-octahydrobenzo[e]azulene-1,4-dione 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3579 0.9220 0.7840 O.2 1 UNL1111111111 -0.4134 2 O 0.8000 -2.6850 -0.9604 O.2 1 UNL1111111111 -0.4337 3 C 1.1462 0.7889 0.8902 C.3 1 UNL1111111111 -0.1254 4 C -0.3881 0.9373 1.0718 C.3 1 UNL1111111111 -0.1283 5 C 1.5388 0.8991 -0.6044 C.3 1 UNL1111111111 -0.1384 6 C -1.2102 -0.1429 0.4730 C.2 1 UNL1111111111 -0.0977 7 C 1.0946 2.2678 -1.1528 C.3 1 UNL1111111111 -0.2621 8 C -0.7781 2.2756 0.4815 C.2 1 UNL1111111111 0.0403 9 C -0.4163 2.4552 -0.9612 C.3 1 UNL1111111111 -0.2884 10 C -0.8699 -1.3541 0.0014 C.2 1 UNL1111111111 -0.1100 11 C 1.6570 -0.4716 1.5167 C.2 1 UNL1111111111 -0.1366 12 C -3.2458 -1.1789 -0.4249 C.3 1 UNL1111111111 -0.1904 13 C -2.0309 -2.1261 -0.5624 C.3 1 UNL1111111111 -0.2761 14 C -2.6982 0.0266 0.3419 C.2 1 UNL1111111111 0.4461 15 C 3.0259 0.7231 -0.7785 C.2 1 UNL1111111111 0.0711 16 C 1.3601 -1.7117 1.1147 C.2 1 UNL1111111111 -0.1054 17 C 0.4666 -1.9764 -0.0392 C.2 1 UNL1111111111 0.4626 18 C -1.3754 3.2221 1.2050 C.2 1 UNL1111111111 -0.3418 19 C -3.7842 -0.7132 -1.7707 C.3 1 UNL1111111111 -0.4341 20 C 3.4251 -0.4203 -1.6487 C.3 1 UNL1111111111 -0.4707 21 C 1.9081 -2.9386 1.7517 C.3 1 UNL1111111111 -0.4329 22 C 3.9224 1.5266 -0.2010 C.2 1 UNL1111111111 -0.3931 23 H 1.6145 1.6637 1.4191 H 1 UNL1111111111 0.1583 24 H -0.5993 0.9368 2.1803 H 1 UNL1111111111 0.1712 25 H 0.9945 0.1095 -1.1807 H 1 UNL1111111111 0.1518 26 H 1.3582 2.3460 -2.2235 H 1 UNL1111111111 0.1425 27 H 1.6442 3.0825 -0.6447 H 1 UNL1111111111 0.1472 28 H -0.9752 1.7235 -1.5807 H 1 UNL1111111111 0.1502 29 H -0.7238 3.4520 -1.3332 H 1 UNL1111111111 0.1489 30 H 2.3396 -0.3107 2.3538 H 1 UNL1111111111 0.1565 31 H -4.0588 -1.6568 0.1661 H 1 UNL1111111111 0.1648 32 H -1.8351 -2.4129 -1.6148 H 1 UNL1111111111 0.1779 33 H -2.1887 -3.0762 -0.0214 H 1 UNL1111111111 0.1593 34 H -1.6568 3.1005 2.2387 H 1 UNL1111111111 0.1510 35 H -1.6562 4.1865 0.8133 H 1 UNL1111111111 0.1484 36 H -4.2080 -1.5472 -2.3425 H 1 UNL1111111111 0.1512 37 H -4.5796 0.0346 -1.6408 H 1 UNL1111111111 0.1596 38 H -3.0019 -0.2533 -2.3875 H 1 UNL1111111111 0.1520 39 H 3.0027 -1.3708 -1.2803 H 1 UNL1111111111 0.1729 40 H 3.0588 -0.2873 -2.6769 H 1 UNL1111111111 0.1603 41 H 4.5125 -0.5542 -1.7049 H 1 UNL1111111111 0.1548 42 H 2.3548 -3.6086 0.9968 H 1 UNL1111111111 0.1714 43 H 1.1214 -3.5111 2.2656 H 1 UNL1111111111 0.1588 44 H 2.6893 -2.7211 2.4922 H 1 UNL1111111111 0.1552 45 H 4.9867 1.4125 -0.3178 H 1 UNL1111111111 0.1491 46 H 3.6641 2.3595 0.4302 H 1 UNL1111111111 0.1453 @BOND 1 1 14 2 2 2 17 2 3 3 4 1 4 3 5 1 5 3 11 1 6 3 23 1 7 4 6 1 8 4 8 1 9 4 24 1 10 5 7 1 11 5 15 1 12 5 25 1 13 6 10 2 14 6 14 1 15 7 9 1 16 7 26 1 17 7 27 1 18 8 9 1 19 8 18 2 20 9 28 1 21 9 29 1 22 10 13 1 23 10 17 1 24 11 16 2 25 11 30 1 26 12 13 1 27 12 14 1 28 12 19 1 29 12 31 1 30 13 32 1 31 13 33 1 32 15 20 1 33 15 22 2 34 16 17 1 35 16 21 1 36 18 34 1 37 18 35 1 38 19 36 1 39 19 37 1 40 19 38 1 41 20 39 1 42 20 40 1 43 20 41 1 44 21 42 1 45 21 43 1 46 21 44 1 47 22 45 1 48 22 46 1