@MOLECULE (2s,6as)-2-hydroxy-7-isopropenyl-2,5-dimethyl-10-methylene-2,3,6a,7,8,9,10,10a-octahydrobenzo[e]azulene-1,4-dione 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2691 -1.1481 -0.0331 O.3 1 UNL1111111111 -0.5371 2 O 3.0582 1.2137 -1.0771 O.2 1 UNL1111111111 -0.4056 3 O -0.6898 -2.6193 1.0853 O.2 1 UNL1111111111 -0.4281 4 C 0.0450 1.0477 -1.0451 C.3 1 UNL1111111111 -0.1237 5 C -1.4535 0.6708 -0.9207 C.3 1 UNL1111111111 -0.1251 6 C -1.9358 0.7355 0.5501 C.3 1 UNL1111111111 -0.1375 7 C 1.0035 0.0805 -0.4588 C.2 1 UNL1111111111 -0.1026 8 C -1.7170 2.1544 1.1028 C.3 1 UNL1111111111 -0.2640 9 C 0.2537 2.4015 -0.3972 C.2 1 UNL1111111111 0.0319 10 C -0.2321 2.5279 1.0143 C.3 1 UNL1111111111 -0.2866 11 C 0.8294 -1.1413 0.0779 C.2 1 UNL1111111111 -0.0980 12 C 3.1265 -0.5915 0.5585 C.3 1 UNL1111111111 0.2260 13 C 2.0802 -1.7260 0.6721 C.3 1 UNL1111111111 -0.3022 14 C -1.7382 -0.6670 -1.5320 C.2 1 UNL1111111111 -0.1373 15 C 2.4619 0.4106 -0.4204 C.2 1 UNL1111111111 0.3933 16 C -3.3913 0.3518 0.6441 C.2 1 UNL1111111111 0.0676 17 C -1.2889 -1.8374 -1.0663 C.2 1 UNL1111111111 -0.1031 18 C -0.4184 -1.9280 0.1325 C.2 1 UNL1111111111 0.4641 19 C 3.4665 0.0922 1.8702 C.3 1 UNL1111111111 -0.4944 20 C 0.8400 3.4077 -1.0461 C.2 1 UNL1111111111 -0.3433 21 C -3.6754 -0.8208 1.5207 C.3 1 UNL1111111111 -0.4712 22 C -1.6185 -3.1503 -1.6803 C.3 1 UNL1111111111 -0.4341 23 C -4.3576 1.0046 -0.0059 C.2 1 UNL1111111111 -0.3911 24 H 0.2792 1.1202 -2.1476 H 1 UNL1111111111 0.1746 25 H -2.0264 1.4542 -1.4874 H 1 UNL1111111111 0.1570 26 H -1.3195 0.0349 1.1674 H 1 UNL1111111111 0.1526 27 H -2.0656 2.2080 2.1506 H 1 UNL1111111111 0.1423 28 H -2.3289 2.8867 0.5435 H 1 UNL1111111111 0.1472 29 H 0.3670 1.8696 1.6774 H 1 UNL1111111111 0.1495 30 H -0.0797 3.5549 1.4015 H 1 UNL1111111111 0.1477 31 H 1.9174 -2.0589 1.7142 H 1 UNL1111111111 0.1820 32 H 2.4273 -2.6260 0.1224 H 1 UNL1111111111 0.1886 33 H -2.3882 -0.6319 -2.4087 H 1 UNL1111111111 0.1568 34 H 4.0081 -0.5935 2.5366 H 1 UNL1111111111 0.1719 35 H 4.1123 0.9663 1.7139 H 1 UNL1111111111 0.1619 36 H 2.5693 0.4346 2.4006 H 1 UNL1111111111 0.1618 37 H 1.2249 3.3320 -2.0515 H 1 UNL1111111111 0.1559 38 H 1.0033 4.3828 -0.6168 H 1 UNL1111111111 0.1477 39 H -3.0608 -1.6932 1.2401 H 1 UNL1111111111 0.1731 40 H -3.4471 -0.5959 2.5724 H 1 UNL1111111111 0.1602 41 H -4.7237 -1.1420 1.4756 H 1 UNL1111111111 0.1557 42 H -1.9299 -3.8808 -0.9145 H 1 UNL1111111111 0.1705 43 H -0.7492 -3.5785 -2.2031 H 1 UNL1111111111 0.1622 44 H -2.4363 -3.0836 -2.4108 H 1 UNL1111111111 0.1556 45 H 4.8651 -0.4383 -0.3664 H 1 UNL1111111111 0.3323 46 H -5.3995 0.7393 0.0532 H 1 UNL1111111111 0.1498 47 H -4.1850 1.8529 -0.6457 H 1 UNL1111111111 0.1453 @BOND 1 1 12 1 2 1 45 1 3 2 15 2 4 3 18 2 5 4 5 1 6 4 7 1 7 4 9 1 8 4 24 1 9 5 6 1 10 5 14 1 11 5 25 1 12 6 8 1 13 6 16 1 14 6 26 1 15 7 11 2 16 7 15 1 17 8 10 1 18 8 27 1 19 8 28 1 20 9 10 1 21 9 20 2 22 10 29 1 23 10 30 1 24 11 13 1 25 11 18 1 26 12 13 1 27 12 15 1 28 12 19 1 29 13 31 1 30 13 32 1 31 14 17 2 32 14 33 1 33 16 21 1 34 16 23 2 35 17 18 1 36 17 22 1 37 19 34 1 38 19 35 1 39 19 36 1 40 20 37 1 41 20 38 1 42 21 39 1 43 21 40 1 44 21 41 1 45 22 42 1 46 22 43 1 47 22 44 1 48 23 46 1 49 23 47 1