@MOLECULE (1s,3r,7r,9s,13s)-9-isopropenyl-7-methoxy-1-methyl-4,16-dioxatricyclo[11.2.1.1~3,6~]heptadec-6(17)-ene-5,11,14-trione 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5816 0.3502 0.4275 O.3 1 UNL1111111111 -0.4327 2 O -0.7044 2.9953 -0.5618 O.3 1 UNL1111111111 -0.4135 3 O 4.9809 -0.4747 0.1632 O.2 1 UNL1111111111 -0.4162 4 O -3.1291 0.0976 1.9481 O.3 1 UNL1111111111 -0.3783 5 O 1.2149 -2.8140 1.8340 O.2 1 UNL1111111111 -0.4546 6 O -2.4372 2.0264 -1.5913 O.2 1 UNL1111111111 -0.4468 7 C 2.0009 1.4125 -0.4423 C.3 1 UNL1111111111 0.3192 8 C 1.5482 2.7058 0.2552 C.3 1 UNL1111111111 -0.3420 9 C 3.5407 1.3343 -0.5331 C.3 1 UNL1111111111 -0.4628 10 C 2.6078 -0.5998 0.6464 C.3 1 UNL1111111111 0.0337 11 C 0.0733 2.7687 0.6339 C.3 1 UNL1111111111 0.0970 12 C 3.8908 0.0147 0.1000 C.2 1 UNL1111111111 0.4382 13 C 1.3479 1.1899 -1.7997 C.3 1 UNL1111111111 -0.4916 14 C 2.2625 -1.8956 -0.0806 C.3 1 UNL1111111111 -0.4211 15 C -0.9569 -1.7722 -0.4095 C.3 1 UNL1111111111 -0.1132 16 C -1.7029 -1.3843 0.8760 C.3 1 UNL1111111111 -0.3065 17 C -2.4583 -0.0559 0.7014 C.3 1 UNL1111111111 0.1253 18 C -0.5052 1.5115 1.2443 C.2 1 UNL1111111111 -0.0572 19 C -1.5378 1.0954 0.4944 C.2 1 UNL1111111111 -0.2304 20 C -0.0650 -3.0044 -0.1574 C.3 1 UNL1111111111 -0.3875 21 C 1.1373 -2.5962 0.6520 C.2 1 UNL1111111111 0.4983 22 C -1.6827 2.0145 -0.6621 C.2 1 UNL1111111111 0.5810 23 C -1.9240 -2.0733 -1.5286 C.2 1 UNL1111111111 0.0589 24 C -1.7925 -1.2038 -2.7328 C.3 1 UNL1111111111 -0.4713 25 C -2.8373 -3.0435 -1.4473 C.2 1 UNL1111111111 -0.3739 26 C -4.1624 1.0637 1.9195 C.3 1 UNL1111111111 -0.1992 27 H 1.7814 3.5678 -0.4071 H 1 UNL1111111111 0.1720 28 H 2.1470 2.8486 1.1802 H 1 UNL1111111111 0.1632 29 H 4.0502 2.1640 -0.0104 H 1 UNL1111111111 0.1840 30 H 3.9097 1.3926 -1.5734 H 1 UNL1111111111 0.1893 31 H 2.6434 -0.7381 1.7542 H 1 UNL1111111111 0.1837 32 H -0.1352 3.6634 1.2694 H 1 UNL1111111111 0.1551 33 H 1.3724 2.0965 -2.4167 H 1 UNL1111111111 0.1673 34 H 1.8267 0.3813 -2.3611 H 1 UNL1111111111 0.1513 35 H 0.2888 0.9166 -1.6908 H 1 UNL1111111111 0.1713 36 H 3.1509 -2.5660 -0.1048 H 1 UNL1111111111 0.1908 37 H 1.9981 -1.6906 -1.1353 H 1 UNL1111111111 0.1722 38 H -0.2949 -0.9116 -0.6983 H 1 UNL1111111111 0.1601 39 H -0.9957 -1.3069 1.7270 H 1 UNL1111111111 0.1678 40 H -2.4232 -2.1733 1.1709 H 1 UNL1111111111 0.1655 41 H -3.2079 -0.1325 -0.1244 H 1 UNL1111111111 0.1486 42 H -0.0982 1.0773 2.1421 H 1 UNL1111111111 0.1856 43 H 0.2389 -3.4621 -1.1182 H 1 UNL1111111111 0.1664 44 H -0.6406 -3.7883 0.3781 H 1 UNL1111111111 0.1783 45 H -2.0796 -0.1625 -2.5044 H 1 UNL1111111111 0.1763 46 H -0.7641 -1.1837 -3.1146 H 1 UNL1111111111 0.1505 47 H -2.4384 -1.5261 -3.5607 H 1 UNL1111111111 0.1592 48 H -3.5362 -3.2719 -2.2342 H 1 UNL1111111111 0.1476 49 H -2.9613 -3.6811 -0.5880 H 1 UNL1111111111 0.1477 50 H -4.9367 0.7901 1.1958 H 1 UNL1111111111 0.1262 51 H -3.7649 2.0597 1.7043 H 1 UNL1111111111 0.1229 52 H -4.5624 1.0235 2.9402 H 1 UNL1111111111 0.1442 @BOND 1 1 7 1 2 1 10 1 3 2 11 1 4 2 22 1 5 3 12 2 6 4 17 1 7 4 26 1 8 5 21 2 9 6 22 2 10 7 8 1 11 7 9 1 12 7 13 1 13 8 11 1 14 8 27 1 15 8 28 1 16 9 12 1 17 9 29 1 18 9 30 1 19 10 12 1 20 10 14 1 21 10 31 1 22 11 18 1 23 11 32 1 24 13 33 1 25 13 34 1 26 13 35 1 27 14 21 1 28 14 36 1 29 14 37 1 30 15 16 1 31 15 20 1 32 15 23 1 33 15 38 1 34 16 17 1 35 16 39 1 36 16 40 1 37 17 19 1 38 17 41 1 39 18 19 2 40 18 42 1 41 19 22 1 42 20 21 1 43 20 43 1 44 20 44 1 45 23 24 1 46 23 25 2 47 24 45 1 48 24 46 1 49 24 47 1 50 25 48 1 51 25 49 1 52 26 50 1 53 26 51 1 54 26 52 1