@MOLECULE (1r,4as,7z,9r,11ar)-4-[(2r)-1,2-diacetoxy-4-methyl-3-penten-1-yl]-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-1,9-diyl diacetate 75 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.6608 2.5734 -1.6935 O.2 1 UNL1 -0.3961 2 O -0.0257 3.1944 0.4083 O.3 1 UNL1 -0.4957 3 O 3.0432 -0.7259 -1.5063 O.3 1 UNL1 -0.4798 4 O -5.1595 -0.4180 0.2803 O.3 1 UNL1 -0.4506 5 O 3.0458 -1.5865 1.4634 O.3 1 UNL1 -0.4524 6 O 1.1387 4.5097 1.6775 O.2 1 UNL1 -0.4519 7 O 3.7562 -1.3396 -3.4548 O.2 1 UNL1 -0.4515 8 O -6.8241 -1.4074 1.2537 O.2 1 UNL1 -0.4524 9 O 3.8550 -3.5837 1.6281 O.2 1 UNL1 -0.4691 10 C -0.3917 0.1537 -0.5833 C.3 1 UNL1 -0.0712 11 C -1.2356 1.4591 -0.5180 C.3 1 UNL1 -0.2065 12 C -0.6834 -0.7018 0.6671 C.3 1 UNL1 -0.2895 13 C 1.0656 0.4098 -0.8093 C.2 1 UNL1 -0.2139 14 C -0.4594 2.7390 -0.8605 C.3 1 UNL1 0.3435 15 C -2.4270 1.3204 -1.4288 C.2 1 UNL1 0.0300 16 C 2.0490 -0.6636 -0.4816 C.3 1 UNL1 0.1055 17 C -1.2156 -2.1033 0.3378 C.3 1 UNL1 -0.2959 18 C -3.7378 1.0605 -0.7605 C.3 1 UNL1 -0.3237 19 C 1.4970 1.5485 -1.3688 C.2 1 UNL1 0.1101 20 C -3.7613 -0.2895 -0.0072 C.3 1 UNL1 0.1630 21 C -2.2451 -2.1799 -0.7517 C.2 1 UNL1 0.0653 22 C 2.9252 -0.3495 0.7759 C.3 1 UNL1 0.1409 23 C -3.3394 -1.4203 -0.8841 C.2 1 UNL1 -0.2945 24 C -2.3161 1.4234 -2.7552 C.2 1 UNL1 -0.3566 25 C -1.9833 -3.2677 -1.7482 C.3 1 UNL1 -0.4647 26 C 2.2827 0.6357 1.6895 C.2 1 UNL1 -0.3358 27 C 0.7161 4.3337 0.5659 C.2 1 UNL1 0.6449 28 C 2.8187 -1.3470 -2.7014 C.2 1 UNL1 0.6344 29 C 1.7961 0.4387 2.9226 C.2 1 UNL1 0.1451 30 C -5.6266 -1.3634 1.1428 C.2 1 UNL1 0.6248 31 C 0.9072 5.2372 -0.6003 C.3 1 UNL1 -0.5503 32 C 4.0279 -2.4883 1.1583 C.2 1 UNL1 0.6288 33 C 1.4919 -1.9705 -2.9623 C.3 1 UNL1 -0.5519 34 C 1.8202 -0.8591 3.6517 C.3 1 UNL1 -0.4628 35 C 1.1832 1.5787 3.6695 C.3 1 UNL1 -0.4799 36 C -4.6623 -2.2353 1.8751 C.3 1 UNL1 -0.5535 37 C 5.2004 -2.0720 0.3448 C.3 1 UNL1 -0.5559 38 H -4.0374 -1.5893 -1.7090 H 1 UNL1 0.1691 39 H -0.7423 -0.4200 -1.4904 H 1 UNL1 0.1643 40 H -1.5856 1.5994 0.5460 H 1 UNL1 0.1879 41 H -1.3910 -0.1813 1.3410 H 1 UNL1 0.1445 42 H 0.2297 -0.7948 1.2946 H 1 UNL1 0.1736 43 H -1.0444 3.5231 -1.3872 H 1 UNL1 0.1440 44 H 1.5730 -1.6644 -0.3667 H 1 UNL1 0.1531 45 H -1.6414 -2.5520 1.2634 H 1 UNL1 0.1552 46 H -0.3504 -2.7573 0.0912 H 1 UNL1 0.1515 47 H -4.5744 1.0644 -1.4965 H 1 UNL1 0.1787 48 H -3.9889 1.8794 -0.0531 H 1 UNL1 0.1685 49 H 2.5043 1.8052 -1.6833 H 1 UNL1 0.1771 50 H -3.2084 -0.2298 0.9543 H 1 UNL1 0.1305 51 H 3.9287 0.0282 0.4568 H 1 UNL1 0.1538 52 H -1.3833 1.6146 -3.2648 H 1 UNL1 0.1567 53 H -3.1454 1.3175 -3.4366 H 1 UNL1 0.1565 54 H -1.8392 -4.2403 -1.2554 H 1 UNL1 0.1613 55 H -1.0798 -3.0578 -2.3375 H 1 UNL1 0.1556 56 H -2.8051 -3.3972 -2.4662 H 1 UNL1 0.1574 57 H 2.2269 1.6349 1.2439 H 1 UNL1 0.1743 58 H -0.0461 5.5737 -1.0309 H 1 UNL1 0.1798 59 H 1.4814 4.7500 -1.4071 H 1 UNL1 0.1991 60 H 1.4684 6.1408 -0.3058 H 1 UNL1 0.1906 61 H 1.2891 -2.8056 -2.2756 H 1 UNL1 0.1827 62 H 1.4498 -2.3761 -3.9880 H 1 UNL1 0.1914 63 H 0.6710 -1.2421 -2.8694 H 1 UNL1 0.1872 64 H 2.8568 -1.1725 3.8606 H 1 UNL1 0.1738 65 H 1.3829 -1.6765 3.0562 H 1 UNL1 0.1708 66 H 1.2888 -0.8278 4.6096 H 1 UNL1 0.1470 67 H 1.0886 2.4931 3.0568 H 1 UNL1 0.1813 68 H 1.7889 1.8492 4.5458 H 1 UNL1 0.1628 69 H 0.1743 1.3350 4.0253 H 1 UNL1 0.1552 70 H -4.0499 -2.8329 1.1828 H 1 UNL1 0.1856 71 H -5.2027 -2.9446 2.5249 H 1 UNL1 0.1893 72 H -3.9865 -1.6565 2.5188 H 1 UNL1 0.1786 73 H 4.9167 -1.7662 -0.6791 H 1 UNL1 0.2069 74 H 5.9151 -2.9052 0.2373 H 1 UNL1 0.1893 75 H 5.7466 -1.2333 0.8004 H 1 UNL1 0.1844 @BOND 1 62 33 1 2 7 28 2 3 53 24 1 4 52 24 1 5 33 63 1 6 33 28 1 7 33 61 1 8 24 15 2 9 28 3 1 10 56 25 1 11 55 25 1 12 25 54 1 13 25 21 1 14 38 23 1 15 1 19 1 16 1 14 1 17 49 19 1 18 3 16 1 19 47 18 1 20 39 10 1 21 15 18 1 22 15 11 1 23 59 31 1 24 43 14 1 25 19 13 2 26 58 31 1 27 23 21 2 28 23 20 1 29 14 11 1 30 14 2 1 31 13 10 1 32 13 16 1 33 18 48 1 34 18 20 1 35 21 17 1 36 73 37 1 37 31 60 1 38 31 27 1 39 10 11 1 40 10 12 1 41 11 40 1 42 16 44 1 43 16 22 1 44 20 4 1 45 20 50 1 46 46 17 1 47 74 37 1 48 4 30 1 49 17 12 1 50 17 45 1 51 37 75 1 52 37 32 1 53 2 27 1 54 51 22 1 55 27 6 2 56 12 42 1 57 12 41 1 58 22 5 1 59 22 26 1 60 30 8 2 61 30 36 1 62 32 5 1 63 32 9 2 64 70 36 1 65 57 26 1 66 26 29 2 67 36 72 1 68 36 71 1 69 29 34 1 70 29 35 1 71 65 34 1 72 67 35 1 73 34 64 1 74 34 66 1 75 35 69 1 76 35 68 1