@MOLECULE (1s,4r,5z,8r,9r)-8-hydroxy-6,10,10-trimethyl-2-methylene-3,7-dioxobicyclo[7.2.0]undec-5-en-4-yl acetate 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1134 2.7605 0.2930 O.3 1 UNL1111111111 -0.5231 2 O 1.4070 2.2500 -0.2789 O.2 1 UNL1111111111 -0.4439 3 O 0.3581 -2.5703 1.3681 O.2 1 UNL1111111111 -0.3878 4 O 1.6923 -0.2134 0.7335 O.3 1 UNL1111111111 -0.4447 5 O 3.9257 -0.4852 0.7771 O.2 1 UNL1111111111 -0.4962 6 C -2.8201 0.3324 0.7558 C.3 1 UNL1111111111 0.1250 7 C -1.3373 0.3609 0.2286 C.3 1 UNL1111111111 -0.2099 8 C -1.6603 -0.8316 -0.7292 C.3 1 UNL1111111111 -0.1300 9 C -3.0943 -0.9216 -0.1334 C.3 1 UNL1111111111 -0.3153 10 C -0.8775 1.6201 -0.4925 C.3 1 UNL1111111111 0.0489 11 C -2.8935 0.0475 2.2472 C.3 1 UNL1111111111 -0.4675 12 C -3.6792 1.5261 0.3869 C.3 1 UNL1111111111 -0.4601 13 C -0.8620 -2.0770 -0.5926 C.2 1 UNL1111111111 -0.0897 14 C 0.6166 1.5207 -0.8229 C.2 1 UNL1111111111 0.4312 15 C 0.3269 -2.0305 0.2951 C.2 1 UNL1111111111 0.4293 16 C -1.1757 -3.2100 -1.2229 C.2 1 UNL1111111111 -0.2899 17 C 1.0062 0.5348 -1.8645 C.2 1 UNL1111111111 -0.0621 18 C 1.5668 -1.2689 -0.2114 C.3 1 UNL1111111111 0.0182 19 C 1.4124 -0.7069 -1.5857 C.2 1 UNL1111111111 -0.1938 20 C 0.9090 1.0742 -3.2475 C.3 1 UNL1111111111 -0.4425 21 C 2.9552 0.1020 1.1688 C.2 1 UNL1111111111 0.6523 22 C 2.8602 1.2189 2.1425 C.3 1 UNL1111111111 -0.5078 23 H -0.6302 0.1061 1.0407 H 1 UNL1111111111 0.1695 24 H -1.6736 -0.5134 -1.7925 H 1 UNL1111111111 0.1528 25 H -3.8971 -0.8009 -0.8610 H 1 UNL1111111111 0.1423 26 H -3.2889 -1.8370 0.4324 H 1 UNL1111111111 0.1541 27 H -1.4759 1.8256 -1.4115 H 1 UNL1111111111 0.1592 28 H -2.2963 -0.8296 2.5284 H 1 UNL1111111111 0.1552 29 H -2.5214 0.8988 2.8312 H 1 UNL1111111111 0.1541 30 H -3.9245 -0.1462 2.5652 H 1 UNL1111111111 0.1489 31 H -3.3218 2.4403 0.8857 H 1 UNL1111111111 0.1724 32 H -3.6686 1.7306 -0.6886 H 1 UNL1111111111 0.1431 33 H -4.7222 1.3728 0.6849 H 1 UNL1111111111 0.1430 34 H -0.3779 2.9013 0.9339 H 1 UNL1111111111 0.3288 35 H -2.0263 -3.3071 -1.8811 H 1 UNL1111111111 0.1532 36 H -0.6171 -4.1294 -1.1224 H 1 UNL1111111111 0.1558 37 H 2.4609 -1.9476 -0.1544 H 1 UNL1111111111 0.1869 38 H 1.6776 -1.4059 -2.3826 H 1 UNL1111111111 0.1672 39 H 1.5685 1.9505 -3.3754 H 1 UNL1111111111 0.1737 40 H -0.1122 1.3988 -3.4945 H 1 UNL1111111111 0.1586 41 H 1.2079 0.3415 -4.0109 H 1 UNL1111111111 0.1624 42 H 1.9662 1.1468 2.7811 H 1 UNL1111111111 0.1868 43 H 2.7972 2.1873 1.6087 H 1 UNL1111111111 0.2055 44 H 3.7496 1.2526 2.7910 H 1 UNL1111111111 0.1858 @BOND 1 1 10 1 2 1 34 1 3 2 14 2 4 3 15 2 5 4 18 1 6 4 21 1 7 5 21 2 8 6 7 1 9 6 9 1 10 6 11 1 11 6 12 1 12 7 8 1 13 7 10 1 14 7 23 1 15 8 9 1 16 8 13 1 17 8 24 1 18 9 25 1 19 9 26 1 20 10 14 1 21 10 27 1 22 11 28 1 23 11 29 1 24 11 30 1 25 12 31 1 26 12 32 1 27 12 33 1 28 13 15 1 29 13 16 2 30 14 17 1 31 15 18 1 32 16 35 1 33 16 36 1 34 17 19 2 35 17 20 1 36 18 19 1 37 18 37 1 38 19 38 1 39 20 39 1 40 20 40 1 41 20 41 1 42 21 22 1 43 22 42 1 44 22 43 1 45 22 44 1