@MOLECULE (1as,2r,2ar,4ar,4br,6r,9br,9cr)-2-hydroxy-2a,9b-dimethyl-6-vinyl-1a,2,2a,4a,4b,6,9,9a,9b,9c-decahydro-3h,8h-oxireno[5,6][2]benzofuro[7,1-fg]isochromene-3,8-dione 44 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5660 -1.7208 2.0573 O.3 1 UNL11111111111 -0.3611 2 O -1.3813 2.0875 -0.9838 O.3 1 UNL11111111111 -0.3769 3 O -3.3289 -1.3391 -1.0704 O.3 1 UNL11111111111 -0.5653 4 O 3.4865 -0.1285 -1.1851 O.3 1 UNL11111111111 -0.3992 5 O -3.2744 1.2670 -1.8294 O.2 1 UNL11111111111 -0.4667 6 O 3.2121 -2.2494 -1.6256 O.2 1 UNL11111111111 -0.4428 7 C -0.1789 -0.6542 0.2614 C.3 1 UNL11111111111 0.0535 8 C -1.0217 0.5363 0.7868 C.3 1 UNL11111111111 -0.1869 9 C -0.7701 -1.9082 0.8789 C.3 1 UNL11111111111 -0.0091 10 C -2.5097 0.4826 0.3797 C.3 1 UNL11111111111 -0.1019 11 C -2.2554 -2.0419 0.8476 C.3 1 UNL11111111111 -0.0061 12 C -3.1250 -0.9335 0.2636 C.3 1 UNL11111111111 0.1430 13 C 1.2785 -0.3524 0.7216 C.3 1 UNL11111111111 -0.1225 14 C -0.5538 1.8797 0.1835 C.3 1 UNL11111111111 0.0957 15 C -0.2229 -0.8449 -1.2563 C.3 1 UNL11111111111 -0.4834 16 C 1.7209 0.9182 0.0484 C.2 1 UNL11111111111 -0.0310 17 C -2.4795 1.2699 -0.9298 C.2 1 UNL11111111111 0.5935 18 C -3.3566 1.2974 1.3647 C.3 1 UNL11111111111 -0.4588 19 C 0.8761 1.9157 -0.2340 C.2 1 UNL11111111111 -0.2102 20 C 2.2687 -1.4938 0.4571 C.3 1 UNL11111111111 -0.3911 21 C 3.1688 0.9780 -0.3466 C.3 1 UNL11111111111 0.1049 22 C 2.9916 -1.3572 -0.8516 C.2 1 UNL11111111111 0.6021 23 C 4.1017 1.0191 0.8282 C.2 1 UNL11111111111 -0.1771 24 C 3.9196 1.8214 1.8743 C.2 1 UNL11111111111 -0.2998 25 H -0.9316 0.5577 1.8992 H 1 UNL11111111111 0.1742 26 H -0.1330 -2.7942 0.9045 H 1 UNL11111111111 0.1598 27 H -2.7260 -3.0300 0.8273 H 1 UNL11111111111 0.1693 28 H -4.1306 -0.9545 0.7583 H 1 UNL11111111111 0.1397 29 H 1.2569 -0.1800 1.8325 H 1 UNL11111111111 0.1632 30 H -0.7860 2.7386 0.8584 H 1 UNL11111111111 0.1440 31 H -1.2187 -1.1553 -1.6085 H 1 UNL11111111111 0.1854 32 H 0.0361 0.0712 -1.8024 H 1 UNL11111111111 0.1721 33 H 0.4738 -1.6254 -1.5884 H 1 UNL11111111111 0.1653 34 H -4.3962 1.3948 1.0213 H 1 UNL11111111111 0.1663 35 H -3.3784 0.8192 2.3541 H 1 UNL11111111111 0.1680 36 H -2.9725 2.3148 1.5071 H 1 UNL11111111111 0.1572 37 H 1.1696 2.8111 -0.7813 H 1 UNL11111111111 0.1751 38 H 1.7618 -2.4824 0.4937 H 1 UNL11111111111 0.1860 39 H 3.0267 -1.5326 1.2718 H 1 UNL11111111111 0.1796 40 H 3.3898 1.8292 -1.0472 H 1 UNL11111111111 0.1724 41 H -3.7231 -0.6147 -1.6118 H 1 UNL11111111111 0.3544 42 H 4.9646 0.3573 0.7358 H 1 UNL11111111111 0.1659 43 H 4.6039 1.8748 2.7080 H 1 UNL11111111111 0.1495 44 H 3.0789 2.4905 1.9843 H 1 UNL11111111111 0.1494 @BOND 1 1 9 1 2 1 11 1 3 2 14 1 4 2 17 1 5 3 12 1 6 3 41 1 7 4 21 1 8 4 22 1 9 5 17 2 10 6 22 2 11 7 8 1 12 7 9 1 13 7 13 1 14 7 15 1 15 8 10 1 16 8 14 1 17 8 25 1 18 9 11 1 19 9 26 1 20 10 12 1 21 10 17 1 22 10 18 1 23 11 12 1 24 11 27 1 25 12 28 1 26 13 16 1 27 13 20 1 28 13 29 1 29 14 19 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1 34 16 19 2 35 16 21 1 36 18 34 1 37 18 35 1 38 18 36 1 39 19 37 1 40 20 22 1 41 20 38 1 42 20 39 1 43 21 23 1 44 21 40 1 45 23 24 2 46 23 42 1 47 24 43 1 48 24 44 1