@MOLECULE (1r,3ar,4s,6z,8s,8as,9r,10s,11s,12r,12as,13s,13ar)-4-chloro-8,13a-dihydroxy-1,8a,12-trimethyl-5-methylene-2-oxo-1,2,3a,4,5,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-9,10-epoxybenzo[4,5]cyclodeca[1,2-b]furan-11,13-diyl diacetate 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.8188 -2.1572 1.9083 Cl 1 UNL11 -0.1551 2 O 3.8426 -0.5514 0.4501 O.3 1 UNL11 -0.3284 3 O 2.1359 -2.3581 -0.3048 O.3 1 UNL11 -0.4139 4 O -0.4757 2.1272 -0.1806 O.3 1 UNL11 -0.4276 5 O 3.2533 2.3572 1.5988 O.3 1 UNL11 -0.5664 6 O -0.9266 -1.2943 -0.5271 O.3 1 UNL11 -0.5405 7 O -3.5532 0.0074 0.7037 O.3 1 UNL11 -0.4198 8 O -5.0421 -0.3761 -0.8960 O.2 1 UNL11 -0.4163 9 O 0.6265 -3.4822 -1.5475 O.2 1 UNL11 -0.5347 10 O -1.6407 3.0491 -1.8741 O.2 1 UNL11 -0.5174 11 C 2.2021 1.2375 -0.1833 C.3 1 UNL11 0.0591 12 C 3.5709 0.5737 -0.3937 C.3 1 UNL11 -0.0055 13 C 1.0542 0.2924 -0.6059 C.3 1 UNL11 -0.1636 14 C 3.7476 -0.8013 -0.9505 C.3 1 UNL11 -0.0377 15 C 1.4116 -0.5971 -1.8270 C.3 1 UNL11 -0.1435 16 C 2.5324 -1.5713 -1.4294 C.3 1 UNL11 0.1011 17 C -0.3172 0.9241 -0.9289 C.3 1 UNL11 0.0932 18 C 2.1721 1.4538 1.3677 C.3 1 UNL11 0.1137 19 C -1.4950 -0.0234 -0.5302 C.3 1 UNL11 0.2174 20 C 2.2104 2.5867 -0.9013 C.3 1 UNL11 -0.4504 21 C 1.8254 0.1599 -3.0892 C.3 1 UNL11 -0.4537 22 C -2.1611 0.3166 0.8397 C.3 1 UNL11 0.0279 23 C -2.6981 0.0585 -1.5091 C.3 1 UNL11 -0.2806 24 C 0.9467 2.0959 1.9342 C.2 1 UNL11 -0.1399 25 C -1.6982 -0.3916 2.1070 C.3 1 UNL11 -0.0428 26 C -3.9045 -0.1393 -0.6217 C.2 1 UNL11 0.5808 27 C -2.6547 -0.9712 -2.6229 C.3 1 UNL11 -0.4189 28 C -0.1048 1.4706 2.4730 C.2 1 UNL11 -0.1997 29 C -0.3273 0.0226 2.5560 C.2 1 UNL11 -0.0087 30 C 1.1434 -3.2674 -0.4808 C.2 1 UNL11 0.6449 31 C -1.1648 3.1439 -0.7721 C.2 1 UNL11 0.6261 32 C 0.8677 -3.9426 0.8185 C.3 1 UNL11 -0.5050 33 C 0.5613 -0.8109 3.1013 C.2 1 UNL11 -0.2995 34 C -1.2438 4.3104 0.1472 C.3 1 UNL11 -0.5130 35 H 4.4021 1.2871 -0.4471 H 1 UNL11 0.1628 36 H 0.9103 -0.4121 0.2690 H 1 UNL11 0.1933 37 H 4.6946 -1.0972 -1.4098 H 1 UNL11 0.1539 38 H 0.5057 -1.2164 -2.0845 H 1 UNL11 0.1897 39 H 2.7791 -2.2646 -2.2652 H 1 UNL11 0.1451 40 H -0.3800 1.1655 -2.0189 H 1 UNL11 0.1644 41 H 2.4008 0.4858 1.8779 H 1 UNL11 0.1475 42 H 2.0837 2.4806 -1.9818 H 1 UNL11 0.1490 43 H 1.4192 3.2467 -0.5326 H 1 UNL11 0.1534 44 H 3.1510 3.1272 -0.7201 H 1 UNL11 0.1594 45 H 1.0689 0.8949 -3.3883 H 1 UNL11 0.1492 46 H 1.9509 -0.5291 -3.9340 H 1 UNL11 0.1492 47 H 2.7724 0.6964 -2.9596 H 1 UNL11 0.1517 48 H -2.1411 1.4225 1.0144 H 1 UNL11 0.1637 49 H -2.7548 1.0865 -1.9627 H 1 UNL11 0.2090 50 H 0.9973 3.1892 1.9162 H 1 UNL11 0.1571 51 H -2.4386 -0.1780 2.9265 H 1 UNL11 0.1788 52 H 3.5914 2.2561 2.5074 H 1 UNL11 0.3160 53 H -1.5941 -2.0146 -0.6261 H 1 UNL11 0.3466 54 H -1.7010 -0.9312 -3.1684 H 1 UNL11 0.1640 55 H -3.4623 -0.7992 -3.3506 H 1 UNL11 0.1665 56 H -2.7761 -2.0016 -2.2614 H 1 UNL11 0.1556 57 H -0.9176 2.0622 2.9098 H 1 UNL11 0.1542 58 H 1.0140 -3.2643 1.6756 H 1 UNL11 0.1892 59 H -0.1667 -4.3181 0.8531 H 1 UNL11 0.1876 60 H 1.5422 -4.8004 0.9626 H 1 UNL11 0.1819 61 H 0.4171 -1.8730 3.2310 H 1 UNL11 0.1635 62 H 1.5221 -0.4889 3.4770 H 1 UNL11 0.1531 63 H -0.4038 4.3540 0.8575 H 1 UNL11 0.1853 64 H -1.2553 5.2541 -0.4228 H 1 UNL11 0.1874 65 H -2.1744 4.2789 0.7383 H 1 UNL11 0.1901 @BOND 1 1 25 1 2 2 12 1 3 2 14 1 4 3 16 1 5 3 30 1 6 4 17 1 7 4 31 1 8 5 18 1 9 5 52 1 10 6 19 1 11 6 53 1 12 7 22 1 13 7 26 1 14 8 26 2 15 9 30 2 16 10 31 2 17 11 12 1 18 11 20 1 19 12 14 1 20 12 35 1 21 13 11 1 22 13 36 1 23 14 16 1 24 14 37 1 25 15 13 1 26 15 21 1 27 15 38 1 28 16 15 1 29 16 39 1 30 17 13 1 31 17 40 1 32 18 11 1 33 18 24 1 34 18 41 1 35 19 17 1 36 20 42 1 37 20 43 1 38 20 44 1 39 21 45 1 40 21 46 1 41 21 47 1 42 22 19 1 43 22 48 1 44 23 19 1 45 23 26 1 46 23 27 1 47 23 49 1 48 24 28 2 49 24 50 1 50 25 22 1 51 25 29 1 52 25 51 1 53 27 54 1 54 27 55 1 55 27 56 1 56 28 29 1 57 28 57 1 58 29 33 2 59 30 32 1 60 31 34 1 61 32 58 1 62 32 59 1 63 32 60 1 64 33 61 1 65 33 62 1 66 34 63 1 67 34 64 1 68 34 65 1