@MOLECULE (1r,3ar,4s,8s,8ar,9s,12s,12as,13s,13ar)-9,13-diacetoxy-4-chloro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxotetradecahydro-2h-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxiran]-8-yl 2-methylpropanoate 78 81 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.7296 -2.2179 -1.2247 C.3 1 UNL1 0.1663 2 C 3.4069 0.0850 -0.6943 C.3 1 UNL1 0.1143 3 C 1.8646 0.3251 -0.8445 C.3 1 UNL1 0.0411 4 C 1.0423 -0.9770 -0.6456 C.3 1 UNL1 -0.1714 5 C -0.4286 -0.9710 -1.1469 C.3 1 UNL1 0.0504 6 C 1.5498 1.4357 0.2178 C.3 1 UNL1 0.1124 7 C -1.8808 0.0365 2.2350 C.3 1 UNL1 -0.0488 8 C -1.9376 0.0316 0.7089 C.3 1 UNL1 0.0599 9 C -1.4611 -1.2640 -0.0077 C.3 1 UNL1 0.2055 10 C -2.7643 -1.8963 -0.5648 C.3 1 UNL1 -0.2725 11 C -3.1008 -3.2648 0.0022 C.3 1 UNL1 -0.4328 12 C 4.9024 -0.4948 2.6124 C.3 1 UNL1 -0.5139 13 C -1.7906 1.6798 -3.2889 C.3 1 UNL1 -0.5097 14 C 1.7033 0.9031 -2.2578 C.3 1 UNL1 -0.4590 15 C -2.0274 4.0121 0.9735 C.3 1 UNL1 -0.4381 16 C -1.3738 4.8213 -1.3276 C.3 1 UNL1 -0.4448 17 H -0.7768 -2.9942 0.6824 H 1 UNL1 0.3219 18 O -5.0238 -0.9381 -0.4209 O.2 1 UNL1 -0.4290 19 O 5.8140 0.2728 0.5032 O.2 1 UNL1 -0.5067 20 O -1.9877 -0.7231 -3.3122 O.2 1 UNL1 -0.5174 21 O 1.0022 4.0833 0.2003 O.2 1 UNL1 -0.5095 22 C 0.9967 -3.5144 -1.3974 C.3 1 UNL1 -0.1890 23 C 3.9148 -1.0862 -1.5244 C.3 1 UNL1 -0.3137 24 C 3.2218 -2.3504 -1.0329 C.3 1 UNL1 -0.2885 25 C 0.3120 1.2342 2.5296 C.3 1 UNL1 -0.2780 26 C 1.5692 0.9707 1.6887 C.3 1 UNL1 -0.3014 27 O -0.8363 -2.0550 0.9613 O.3 1 UNL1 -0.5255 28 C 4.8898 -0.1052 1.1736 C.2 1 UNL1 0.6342 29 C -1.5566 0.2878 -2.8203 C.2 1 UNL1 0.6264 30 C 0.1063 3.3216 -0.0495 C.2 1 UNL1 0.5890 31 O -0.7755 0.2920 -1.7019 O.3 1 UNL1 -0.4028 32 O 3.6287 -0.2256 0.6867 O.3 1 UNL1 -0.4661 33 O 0.2715 1.9739 -0.1046 O.3 1 UNL1 -0.4360 34 C -0.4810 -0.0281 2.7493 C.2 1 UNL1 0.0057 35 C -3.8471 -0.8985 -0.2196 C.2 1 UNL1 0.6021 36 C -1.3405 3.6530 -0.3440 C.3 1 UNL1 -0.1388 37 CL -2.8876 -1.3032 2.8504 Cl 1 UNL1 -0.1664 38 O 1.2963 -2.6658 -2.5125 O.3 1 UNL1 -0.3424 39 O -3.3051 0.2301 0.3550 O.3 1 UNL1 -0.4239 40 C 0.0469 -1.0804 3.3766 C.2 1 UNL1 -0.3100 41 H 1.0166 -1.1455 0.4761 H 1 UNL1 0.1995 42 H 1.5310 -4.4608 -1.3818 H 1 UNL1 0.1530 43 H -0.0579 -3.6289 -1.1722 H 1 UNL1 0.1426 44 H 3.7151 -0.9217 -2.6019 H 1 UNL1 0.1648 45 H 5.0162 -1.1748 -1.4328 H 1 UNL1 0.1645 46 H 3.4488 -2.5329 0.0376 H 1 UNL1 0.1590 47 H 3.6104 -3.2324 -1.5826 H 1 UNL1 0.1564 48 H 3.9679 1.0211 -0.9273 H 1 UNL1 0.1450 49 H -0.5576 -1.7323 -1.9627 H 1 UNL1 0.1799 50 H 2.3079 2.2515 0.0871 H 1 UNL1 0.1479 51 H -2.4076 0.9451 2.6244 H 1 UNL1 0.1672 52 H 0.6143 1.6425 3.5191 H 1 UNL1 0.1516 53 H -0.3022 2.0371 2.0827 H 1 UNL1 0.1512 54 H -0.4678 -2.0145 3.5441 H 1 UNL1 0.1634 55 H 1.0530 -1.0941 3.7648 H 1 UNL1 0.1408 56 H -1.4194 0.9365 0.3035 H 1 UNL1 0.1983 57 H -2.7226 -1.9771 -1.6878 H 1 UNL1 0.2110 58 H -4.1433 -3.5362 -0.2342 H 1 UNL1 0.1735 59 H -2.4652 -4.0512 -0.4191 H 1 UNL1 0.1440 60 H -3.0153 -3.3033 1.0973 H 1 UNL1 0.1721 61 H 3.9518 -0.9401 2.9437 H 1 UNL1 0.1841 62 H 5.7052 -1.2233 2.8077 H 1 UNL1 0.1840 63 H 5.1031 0.3822 3.2490 H 1 UNL1 0.1869 64 H 1.7953 -0.1185 1.7336 H 1 UNL1 0.1723 65 H 2.4354 1.4579 2.1816 H 1 UNL1 0.1454 66 H -1.0336 2.3910 -2.9270 H 1 UNL1 0.1820 67 H -1.7951 1.7189 -4.3911 H 1 UNL1 0.1882 68 H -2.7795 2.0362 -2.9509 H 1 UNL1 0.1926 69 H 2.5814 1.4673 -2.5909 H 1 UNL1 0.1437 70 H 1.5239 0.1036 -2.9893 H 1 UNL1 0.1657 71 H 0.8564 1.5978 -2.3176 H 1 UNL1 0.1684 72 H -1.8554 2.7626 -0.7935 H 1 UNL1 0.1746 73 H -2.0739 3.1576 1.6590 H 1 UNL1 0.1487 74 H -1.5123 4.8320 1.4906 H 1 UNL1 0.1577 75 H -3.0624 4.3358 0.7986 H 1 UNL1 0.1622 76 H -0.8785 4.5790 -2.2742 H 1 UNL1 0.1447 77 H -2.4040 5.1199 -1.5547 H 1 UNL1 0.1549 78 H -0.8607 5.7036 -0.9175 H 1 UNL1 0.1648 @BOND 1 67 13 1 2 20 29 2 3 13 68 1 4 13 66 1 5 13 29 1 6 70 14 1 7 29 31 1 8 44 23 1 9 69 14 1 10 38 22 1 11 38 1 1 12 71 14 1 13 76 16 1 14 14 3 1 15 49 5 1 16 31 5 1 17 57 10 1 18 47 24 1 19 77 16 1 20 23 45 1 21 23 24 1 22 23 2 1 23 22 42 1 24 22 1 1 25 22 43 1 26 16 78 1 27 16 36 1 28 1 24 1 29 1 4 1 30 5 4 1 31 5 9 1 32 24 46 1 33 48 2 1 34 3 2 1 35 3 4 1 36 3 6 1 37 72 36 1 38 2 32 1 39 4 41 1 40 10 35 1 41 10 9 1 42 10 11 1 43 18 35 2 44 59 11 1 45 36 30 1 46 36 15 1 47 58 11 1 48 35 39 1 49 33 30 1 50 33 6 1 51 30 21 2 52 9 8 1 53 9 27 1 54 11 60 1 55 50 6 1 56 6 26 1 57 56 8 1 58 39 8 1 59 19 28 2 60 17 27 1 61 32 28 1 62 8 7 1 63 75 15 1 64 15 74 1 65 15 73 1 66 28 12 1 67 26 64 1 68 26 65 1 69 26 25 1 70 53 25 1 71 7 51 1 72 7 34 1 73 7 37 1 74 25 34 1 75 25 52 1 76 12 62 1 77 12 61 1 78 12 63 1 79 34 40 2 80 40 54 1 81 40 55 1