@MOLECULE (1r,4s,5e,8r,9r)-4-hydroxy-8-isopropenyl-5-methyl-10-oxabicyclo[7.2.1]dodec-5-en-11-one 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7467 0.8996 -1.0903 O.3 1 UNL111111111 -0.3946 2 O 1.2763 1.2844 -1.8951 O.2 1 UNL111111111 -0.4787 3 O 3.7560 -1.6588 0.1621 O.3 1 UNL111111111 -0.5526 4 C -1.5166 1.1220 0.0935 C.3 1 UNL111111111 0.1141 5 C 0.7561 2.0113 0.3964 C.3 1 UNL111111111 -0.2033 6 C -0.6096 1.8729 1.0955 C.3 1 UNL111111111 -0.3378 7 C -2.0576 -0.2286 0.6086 C.3 1 UNL111111111 -0.1634 8 C 1.9093 1.4415 1.2445 C.3 1 UNL111111111 -0.2505 9 C -1.1473 -1.4254 0.2521 C.3 1 UNL111111111 -0.2551 10 C 0.5343 1.3575 -0.9536 C.2 1 UNL111111111 0.6083 11 C 2.9322 0.5700 0.5128 C.3 1 UNL111111111 -0.3434 12 C 2.6672 -0.9409 0.6986 C.3 1 UNL111111111 0.1438 13 C -3.4226 -0.4962 0.0182 C.2 1 UNL111111111 0.0397 14 C 0.2296 -1.2414 0.7913 C.2 1 UNL111111111 -0.2174 15 C 1.3544 -1.3458 0.0706 C.2 1 UNL111111111 -0.0212 16 C -4.4674 -0.9085 1.0006 C.3 1 UNL111111111 -0.4600 17 C 1.4299 -1.8056 -1.3406 C.3 1 UNL111111111 -0.4552 18 C -3.6683 -0.3892 -1.2890 C.2 1 UNL111111111 -0.3628 19 H -2.3490 1.7724 -0.2611 H 1 UNL111111111 0.1451 20 H 0.9774 3.0906 0.1915 H 1 UNL111111111 0.1693 21 H -0.5310 1.3324 2.0532 H 1 UNL111111111 0.1592 22 H -1.0345 2.8586 1.3466 H 1 UNL111111111 0.1511 23 H -2.1365 -0.1654 1.7224 H 1 UNL111111111 0.1468 24 H 1.4964 0.8683 2.1004 H 1 UNL111111111 0.1464 25 H 2.4412 2.2964 1.7138 H 1 UNL111111111 0.1425 26 H -1.1397 -1.5534 -0.8531 H 1 UNL111111111 0.1674 27 H -1.5936 -2.3591 0.6546 H 1 UNL111111111 0.1490 28 H 2.9846 0.8191 -0.5650 H 1 UNL111111111 0.1763 29 H 3.9514 0.7846 0.8957 H 1 UNL111111111 0.1576 30 H 2.7222 -1.2342 1.7739 H 1 UNL111111111 0.1440 31 H 0.2612 -0.9732 1.8464 H 1 UNL111111111 0.1391 32 H -4.1603 -1.8051 1.5580 H 1 UNL111111111 0.1568 33 H -4.6635 -0.1148 1.7348 H 1 UNL111111111 0.1529 34 H -5.4269 -1.1439 0.5202 H 1 UNL111111111 0.1558 35 H 1.8778 -1.0388 -1.9954 H 1 UNL111111111 0.1731 36 H 0.4448 -2.0308 -1.7745 H 1 UNL111111111 0.1612 37 H 2.0318 -2.7243 -1.4225 H 1 UNL111111111 0.1652 38 H -4.6267 -0.5842 -1.7397 H 1 UNL111111111 0.1483 39 H -2.9184 -0.0989 -2.0128 H 1 UNL111111111 0.1650 40 H 3.8578 -1.4887 -0.7962 H 1 UNL111111111 0.3180 @BOND 1 1 4 1 2 1 10 1 3 2 10 2 4 3 12 1 5 3 40 1 6 4 6 1 7 4 7 1 8 4 19 1 9 5 6 1 10 5 8 1 11 5 10 1 12 5 20 1 13 6 21 1 14 6 22 1 15 7 9 1 16 7 13 1 17 7 23 1 18 8 11 1 19 8 24 1 20 8 25 1 21 9 14 1 22 9 26 1 23 9 27 1 24 11 12 1 25 11 28 1 26 11 29 1 27 12 15 1 28 12 30 1 29 13 16 1 30 13 18 2 31 14 15 2 32 14 31 1 33 15 17 1 34 16 32 1 35 16 33 1 36 16 34 1 37 17 35 1 38 17 36 1 39 17 37 1 40 18 38 1 41 18 39 1