@MOLECULE (1r,3r,5s,8s,9r,12s,13r,14s)-1-hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione 37 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1393 0.8810 0.1105 O.3 1 UNL1111111111 -0.2663 2 O -1.1546 -1.9575 -0.9320 O.3 1 UNL1111111111 -0.3760 3 O 0.2347 2.5226 -0.9136 O.3 1 UNL1111111111 -0.5480 4 O 0.7378 -1.3925 0.8973 O.3 1 UNL1111111111 -0.3530 5 O -3.0233 -2.2428 0.2500 O.2 1 UNL1111111111 -0.3725 6 O 0.5517 -0.1140 2.7265 O.2 1 UNL1111111111 -0.4277 7 C -0.9059 0.4351 -0.9407 C.3 1 UNL1111111111 -0.0213 8 C -2.0496 -0.0105 -0.0265 C.3 1 UNL1111111111 -0.0434 9 C -0.1216 1.4732 -0.0539 C.3 1 UNL1111111111 0.3052 10 C -2.1666 0.8815 1.1644 C.3 1 UNL1111111111 0.0528 11 C -0.2244 -0.9242 -1.2691 C.3 1 UNL1111111111 0.0400 12 C -1.1149 1.9654 1.0407 C.3 1 UNL1111111111 -0.3819 13 C 1.1725 0.9000 0.5671 C.3 1 UNL1111111111 -0.3046 14 C 1.0698 -1.1896 -0.4836 C.3 1 UNL1111111111 0.0663 15 C 1.9231 0.1068 -0.5241 C.3 1 UNL1111111111 -0.1739 16 C -2.1998 -1.4847 -0.1601 C.2 1 UNL1111111111 0.5768 17 C -1.4175 1.0901 -2.2116 C.3 1 UNL1111111111 -0.4359 18 C 0.7939 -0.1901 1.5590 C.2 1 UNL1111111111 0.5757 19 C 3.3687 -0.1724 -0.2458 C.2 1 UNL1111111111 0.0417 20 C 4.1683 -0.4949 -1.4659 C.3 1 UNL1111111111 -0.4601 21 C 3.9156 -0.1452 0.9705 C.2 1 UNL1111111111 -0.3494 22 H -2.5316 0.5840 2.1444 H 1 UNL1111111111 0.1840 23 H -0.0563 -1.0589 -2.3605 H 1 UNL1111111111 0.1635 24 H -1.5760 2.9234 0.7251 H 1 UNL1111111111 0.1859 25 H -0.6130 2.1602 2.0045 H 1 UNL1111111111 0.1781 26 H 1.7876 1.6932 1.0300 H 1 UNL1111111111 0.1836 27 H 1.5832 -2.1217 -0.7791 H 1 UNL1111111111 0.1736 28 H 1.8327 0.6302 -1.5085 H 1 UNL1111111111 0.1821 29 H -2.0225 1.9818 -1.9804 H 1 UNL1111111111 0.1748 30 H -0.5960 1.4327 -2.8549 H 1 UNL1111111111 0.1628 31 H -2.0548 0.4134 -2.7944 H 1 UNL1111111111 0.1565 32 H 0.6795 3.2489 -0.4309 H 1 UNL1111111111 0.3239 33 H 3.6922 -1.2760 -2.0748 H 1 UNL1111111111 0.1572 34 H 4.2935 0.3910 -2.1058 H 1 UNL1111111111 0.1589 35 H 5.1782 -0.8549 -1.2231 H 1 UNL1111111111 0.1601 36 H 4.9576 -0.3550 1.1579 H 1 UNL1111111111 0.1547 37 H 3.3806 0.0725 1.8812 H 1 UNL1111111111 0.1555 @BOND 1 1 8 1 2 1 10 1 3 2 11 1 4 2 16 1 5 3 9 1 6 3 32 1 7 4 14 1 8 4 18 1 9 5 16 2 10 6 18 2 11 7 8 1 12 7 9 1 13 7 11 1 14 7 17 1 15 8 10 1 16 8 16 1 17 9 12 1 18 9 13 1 19 10 12 1 20 10 22 1 21 11 14 1 22 11 23 1 23 12 24 1 24 12 25 1 25 13 15 1 26 13 18 1 27 13 26 1 28 14 15 1 29 14 27 1 30 15 19 1 31 15 28 1 32 17 29 1 33 17 30 1 34 17 31 1 35 19 20 1 36 19 21 2 37 20 33 1 38 20 34 1 39 20 35 1 40 21 36 1 41 21 37 1