@MOLECULE 2,8,12-trihydroxy-12-isopropenyl-7-methyl-11h-spiro[4,10-dioxatetracyclo[7.2.1.0~2,7~.0~3,5~]dodecane-6,2'-oxiran]-11-one 40 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7761 1.7770 -0.6320 O.3 1 UNL111111111 -0.2849 2 O -3.1843 -1.2139 0.5398 O.3 1 UNL111111111 -0.3038 3 O -0.2080 1.4065 -2.0912 O.3 1 UNL111111111 -0.5170 4 O 0.7458 -0.6696 1.5642 O.3 1 UNL111111111 -0.3638 5 O -0.6942 -2.6899 -0.0152 O.3 1 UNL111111111 -0.5225 6 O 1.8822 -0.2410 -1.7766 O.3 1 UNL111111111 -0.5631 7 O 0.3108 1.3587 2.4069 O.2 1 UNL111111111 -0.4147 8 C -1.0978 -0.4420 -0.6957 C.3 1 UNL111111111 -0.0194 9 C -2.0920 -0.3074 0.4661 C.3 1 UNL111111111 0.0996 10 C -0.4249 0.9946 -0.7793 C.3 1 UNL111111111 0.2734 11 C -2.4384 1.1559 0.6121 C.3 1 UNL111111111 -0.0264 12 C -1.4442 1.9611 -0.1604 C.3 1 UNL111111111 -0.0422 13 C 0.9031 1.1055 0.0226 C.3 1 UNL111111111 -0.3581 14 C -0.0483 -1.5704 -0.5744 C.3 1 UNL111111111 0.0986 15 C -2.2545 -1.2182 1.6288 C.3 1 UNL111111111 -0.1245 16 C 1.8992 -0.0096 -0.3876 C.3 1 UNL111111111 0.2400 17 C 1.1643 -1.2072 0.3047 C.3 1 UNL111111111 0.0195 18 C -1.9070 -0.7088 -1.9676 C.3 1 UNL111111111 -0.4413 19 C 0.6097 0.6995 1.4582 C.2 1 UNL111111111 0.5776 20 C 3.3169 0.1511 0.0888 C.2 1 UNL111111111 -0.0350 21 C 4.2439 -0.9330 -0.3496 C.3 1 UNL111111111 -0.4595 22 C 3.7305 1.1577 0.8592 C.2 1 UNL111111111 -0.3092 23 H -2.9981 1.4893 1.4787 H 1 UNL111111111 0.1765 24 H -1.1444 2.9845 0.0269 H 1 UNL111111111 0.1762 25 H 1.3131 2.1276 -0.0759 H 1 UNL111111111 0.1967 26 H 0.3236 -1.8425 -1.5963 H 1 UNL111111111 0.1454 27 H -1.6512 -2.1188 1.7413 H 1 UNL111111111 0.1813 28 H -2.6458 -0.8446 2.5728 H 1 UNL111111111 0.1479 29 H 1.7942 -2.0712 0.5678 H 1 UNL111111111 0.1644 30 H -2.6508 0.0852 -2.1433 H 1 UNL111111111 0.1827 31 H -1.2823 -0.7553 -2.8639 H 1 UNL111111111 0.1435 32 H -2.4624 -1.6539 -1.8761 H 1 UNL111111111 0.1680 33 H 0.4381 0.7949 -2.5186 H 1 UNL111111111 0.3328 34 H -0.3003 -3.5218 -0.3456 H 1 UNL111111111 0.3106 35 H 2.6023 0.2598 -2.2243 H 1 UNL111111111 0.3425 36 H 3.8461 -1.5399 -1.1757 H 1 UNL111111111 0.1634 37 H 5.2147 -0.5371 -0.6805 H 1 UNL111111111 0.1604 38 H 4.4558 -1.6263 0.4807 H 1 UNL111111111 0.1676 39 H 4.7502 1.2545 1.2054 H 1 UNL111111111 0.1563 40 H 3.1047 1.9585 1.2244 H 1 UNL111111111 0.1604 @BOND 1 1 11 1 2 1 12 1 3 2 9 1 4 2 15 1 5 3 10 1 6 3 33 1 7 4 17 1 8 4 19 1 9 5 14 1 10 5 34 1 11 6 16 1 12 6 35 1 13 7 19 2 14 8 9 1 15 8 10 1 16 8 14 1 17 8 18 1 18 9 11 1 19 9 15 1 20 10 12 1 21 10 13 1 22 11 12 1 23 11 23 1 24 12 24 1 25 13 16 1 26 13 19 1 27 13 25 1 28 14 17 1 29 14 26 1 30 15 27 1 31 15 28 1 32 16 17 1 33 16 20 1 34 17 29 1 35 18 30 1 36 18 31 1 37 18 32 1 38 20 21 1 39 20 22 2 40 21 36 1 41 21 37 1 42 21 38 1 43 22 39 1 44 22 40 1