@MOLECULE (7r,8r,8ar)-5-chloro-3-[(1e,3e,5s)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydroxy-7-methyl-1,7,8,8a-tetrahydro-6h-isochromen-6-one 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.0808 2.8713 0.0435 Cl 1 UNL1111111111 -0.0263 2 O 3.3141 -3.0050 0.1869 O.3 1 UNL1111111111 -0.5357 3 O -0.4479 -1.0474 0.2064 O.2 1 UNL1111111111 -0.3398 4 O 4.4996 -1.1181 -1.5020 O.3 1 UNL1111111111 -0.5423 5 O 5.4031 1.2045 0.5702 O.2 1 UNL1111111111 -0.3675 6 C 1.9854 -1.0371 -0.0884 C.3 1 UNL1111111111 -0.2524 7 C 3.2821 -1.6368 0.4915 C.3 1 UNL1111111111 0.1000 8 C 4.5192 -0.9169 -0.1029 C.3 1 UNL1111111111 0.1631 9 C 1.9571 0.4679 -0.0561 C.2 1 UNL1111111111 0.1440 10 C 0.7870 -1.5752 0.6923 C.3 1 UNL1111111111 -0.0277 11 C 4.4338 0.5900 0.2109 C.2 1 UNL1111111111 0.3875 12 C 3.1032 1.1730 0.0437 C.2 1 UNL1111111111 -0.2628 13 C 5.8213 -1.5236 0.3819 C.3 1 UNL1111111111 -0.4514 14 C 0.6471 1.0391 -0.1853 C.2 1 UNL1111111111 -0.4210 15 C -0.4718 0.2752 -0.0824 C.2 1 UNL1111111111 0.3403 16 C -1.8306 0.7466 -0.2968 C.2 1 UNL1111111111 -0.2644 17 C -6.7464 -0.2275 -0.3776 C.3 1 UNL1111111111 -0.0965 18 C -2.9111 -0.0437 -0.1656 C.2 1 UNL1111111111 -0.0470 19 C -4.2895 0.3928 -0.3839 C.2 1 UNL1111111111 -0.0454 20 C -7.5066 -0.5786 0.9187 C.3 1 UNL1111111111 -0.2588 21 C -5.2842 -0.4937 -0.1975 C.2 1 UNL1111111111 -0.1350 22 C -7.2611 -1.0826 -1.5449 C.3 1 UNL1111111111 -0.4498 23 C -4.4991 1.8081 -0.8060 C.3 1 UNL1111111111 -0.4396 24 C -7.1238 0.3626 2.0593 C.3 1 UNL1111111111 -0.4406 25 H 1.8929 -1.3626 -1.1617 H 1 UNL1111111111 0.1868 26 H 3.2962 -1.6152 1.6045 H 1 UNL1111111111 0.1574 27 H 0.6506 -2.6661 0.5533 H 1 UNL1111111111 0.1659 28 H 0.8422 -1.3354 1.7701 H 1 UNL1111111111 0.1414 29 H 6.6746 -1.1024 -0.1730 H 1 UNL1111111111 0.1767 30 H 5.9937 -1.3192 1.4458 H 1 UNL1111111111 0.1638 31 H 5.8393 -2.6119 0.2344 H 1 UNL1111111111 0.1667 32 H 0.5624 2.1062 -0.3834 H 1 UNL1111111111 0.1952 33 H 3.6263 -3.1403 -0.7402 H 1 UNL1111111111 0.3362 34 H 3.9491 -0.4477 -1.9593 H 1 UNL1111111111 0.3233 35 H -1.9094 1.7985 -0.5798 H 1 UNL1111111111 0.1774 36 H -6.9367 0.8488 -0.6143 H 1 UNL1111111111 0.1426 37 H -2.7927 -1.0969 0.1227 H 1 UNL1111111111 0.1606 38 H -8.5961 -0.5219 0.7331 H 1 UNL1111111111 0.1379 39 H -7.3053 -1.6274 1.2064 H 1 UNL1111111111 0.1379 40 H -5.0647 -1.5190 0.1112 H 1 UNL1111111111 0.1478 41 H -6.7045 -0.8690 -2.4650 H 1 UNL1111111111 0.1499 42 H -8.3192 -0.8834 -1.7455 H 1 UNL1111111111 0.1465 43 H -7.1587 -2.1537 -1.3393 H 1 UNL1111111111 0.1478 44 H -6.0455 0.3314 2.2592 H 1 UNL1111111111 0.1494 45 H -7.3825 1.4018 1.8287 H 1 UNL1111111111 0.1427 46 H -7.6393 0.0925 2.9876 H 1 UNL1111111111 0.1430 47 H -5.5574 2.0584 -0.9625 H 1 UNL1111111111 0.1527 48 H -3.9821 2.0216 -1.7538 H 1 UNL1111111111 0.1602 49 H -4.1177 2.5102 -0.0492 H 1 UNL1111111111 0.1596 @BOND 1 1 12 1 2 2 7 1 3 2 33 1 4 3 10 1 5 3 15 1 6 4 8 1 7 4 34 1 8 5 11 2 9 6 7 1 10 6 9 1 11 6 10 1 12 6 25 1 13 7 8 1 14 7 26 1 15 8 11 1 16 8 13 1 17 9 12 2 18 9 14 1 19 10 27 1 20 10 28 1 21 11 12 1 22 13 29 1 23 13 30 1 24 13 31 1 25 14 15 2 26 14 32 1 27 15 16 1 28 16 18 2 29 16 35 1 30 17 20 1 31 17 21 1 32 17 22 1 33 17 36 1 34 18 19 1 35 18 37 1 36 19 21 2 37 19 23 1 38 20 24 1 39 20 38 1 40 20 39 1 41 21 40 1 42 22 41 1 43 22 42 1 44 22 43 1 45 23 47 1 46 23 48 1 47 23 49 1 48 24 44 1 49 24 45 1 50 24 46 1