@MOLECULE (4r,8r,9s,11s)-2,11-dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2z)-2-methyl-2-butenoate 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8988 -2.1956 0.7245 O.2 1 UNL1111111111 -0.3522 2 O 3.4683 0.9746 0.7897 O.3 1 UNL1111111111 -0.4096 3 O -1.0748 0.8372 -0.1157 O.3 1 UNL1111111111 -0.4592 4 O -2.4139 -1.8341 -0.3888 O.2 1 UNL1111111111 -0.4434 5 O 3.8215 3.1441 0.4392 O.2 1 UNL1111111111 -0.4239 6 O -2.4913 1.6519 1.4170 O.2 1 UNL1111111111 -0.5203 7 C 1.2168 0.7208 -0.0263 C.3 1 UNL1111111111 -0.1998 8 C -0.0431 0.7198 0.8716 C.3 1 UNL1111111111 0.1423 9 C -0.3571 -0.4888 1.7594 C.3 1 UNL1111111111 -0.3582 10 C -0.4659 -1.8515 1.0889 C.3 1 UNL1111111111 0.1564 11 C 2.4742 -0.0220 0.5098 C.3 1 UNL1111111111 0.1122 12 C 1.7030 2.1280 -0.2137 C.2 1 UNL1111111111 -0.1479 13 C -1.2244 -1.8986 -0.2698 C.2 1 UNL1111111111 0.4740 14 C 3.0765 -0.9613 -0.4972 C.2 1 UNL1111111111 -0.1707 15 C -0.9622 -2.9390 2.0176 C.3 1 UNL1111111111 -0.4701 16 C 1.0095 -2.1585 -0.6390 C.2 1 UNL1111111111 0.3062 17 C 2.4043 -1.9902 -1.0362 C.2 1 UNL1111111111 -0.0311 18 C 3.0757 2.2134 0.3377 C.2 1 UNL1111111111 0.5827 19 C -0.1789 -2.0794 -1.2820 C.2 1 UNL1111111111 -0.4699 20 C 1.0550 3.1430 -0.7769 C.2 1 UNL1111111111 -0.2009 21 C 2.9573 -2.9490 -2.0223 C.3 1 UNL1111111111 -0.4338 22 C -2.2880 1.3219 0.2762 C.2 1 UNL1111111111 0.6354 23 C -3.1983 1.3671 -0.8815 C.2 1 UNL1111111111 -0.1453 24 C -2.6598 2.0755 -2.0745 C.3 1 UNL1111111111 -0.4223 25 C -4.4064 0.7881 -0.8389 C.2 1 UNL1111111111 -0.0265 26 C -4.9340 0.0406 0.3286 C.3 1 UNL1111111111 -0.4739 27 H 0.9160 0.2931 -1.0222 H 1 UNL1111111111 0.1958 28 H -0.0574 1.6387 1.5137 H 1 UNL1111111111 0.1570 29 H 0.4034 -0.5487 2.5701 H 1 UNL1111111111 0.1745 30 H -1.3222 -0.2767 2.2836 H 1 UNL1111111111 0.1943 31 H 2.3140 -0.5174 1.4951 H 1 UNL1111111111 0.1757 32 H 4.1159 -0.7433 -0.7521 H 1 UNL1111111111 0.1828 33 H -0.4201 -2.9453 2.9719 H 1 UNL1111111111 0.1646 34 H -0.8330 -3.9358 1.5720 H 1 UNL1111111111 0.1671 35 H -2.0336 -2.8137 2.2330 H 1 UNL1111111111 0.1736 36 H -0.3881 -2.0898 -2.3298 H 1 UNL1111111111 0.1955 37 H 0.0503 3.0557 -1.1750 H 1 UNL1111111111 0.1620 38 H 1.4804 4.1359 -0.8754 H 1 UNL1111111111 0.1654 39 H 2.3337 -3.0040 -2.9289 H 1 UNL1111111111 0.1658 40 H 3.9753 -2.6870 -2.3450 H 1 UNL1111111111 0.1628 41 H 3.0057 -3.9680 -1.6040 H 1 UNL1111111111 0.1673 42 H -2.3921 3.1165 -1.8419 H 1 UNL1111111111 0.1535 43 H -1.7535 1.5739 -2.4536 H 1 UNL1111111111 0.1672 44 H -3.3786 2.1058 -2.9050 H 1 UNL1111111111 0.1545 45 H -5.0697 0.8241 -1.7069 H 1 UNL1111111111 0.1494 46 H -4.5216 -0.9869 0.3432 H 1 UNL1111111111 0.1890 47 H -6.0271 -0.0490 0.3157 H 1 UNL1111111111 0.1540 48 H -4.6547 0.5024 1.2900 H 1 UNL1111111111 0.1777 @BOND 1 1 10 1 2 1 16 1 3 2 11 1 4 2 18 1 5 3 8 1 6 3 22 1 7 4 13 2 8 5 18 2 9 6 22 2 10 7 8 1 11 7 11 1 12 7 12 1 13 7 27 1 14 8 9 1 15 8 28 1 16 9 10 1 17 9 29 1 18 9 30 1 19 10 13 1 20 10 15 1 21 11 14 1 22 11 31 1 23 12 18 1 24 12 20 2 25 13 19 1 26 14 17 2 27 14 32 1 28 15 33 1 29 15 34 1 30 15 35 1 31 16 17 1 32 16 19 2 33 17 21 1 34 19 36 1 35 20 37 1 36 20 38 1 37 21 39 1 38 21 40 1 39 21 41 1 40 22 23 1 41 23 24 1 42 23 25 2 43 24 42 1 44 24 43 1 45 24 44 1 46 25 26 1 47 25 45 1 48 26 46 1 49 26 47 1 50 26 48 1