@MOLECULE (1r,2s,3s,6r,7s,8s,10s,11r,12r,13s,17s,19r)-19-acetoxy-11-hydroxy-17-isopropenyl-4,8,12,15-tetramethyl-5,14,16,18-tetraoxahexacyclo[13.2.1.1~4,6~.0~2,11~.0~6,10~.0~13,17~]nonadecane-3,7-diyl dibenzoate 49 0 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 32.6773 17.0456 0.0000 C.3 1 UNL1 0.0000 2 C -55.3982 9.2792 -0.0000 C.3 2 UNL2 0.0000 3 C -58.3527 -0.2744 -0.0000 C.3 3 UNL3 0.0000 4 C -51.5563 -7.6099 -0.0000 C.3 4 UNL4 0.0000 5 C -41.8054 -5.3918 -0.0000 C.3 5 UNL5 0.0000 6 C -38.8509 4.1618 -0.0000 C.3 6 UNL6 0.0000 7 C -45.6473 11.4973 -0.0000 C.3 7 UNL7 0.0000 8 C -35.0090 -12.7272 -0.0000 C.3 8 UNL8 0.0000 9 O -25.2581 -10.5091 -0.0000 O.3 9 HOH9 -0.0000 10 O -37.9635 -22.2808 -0.0000 O.3 10 HOH10 0.0000 11 C -22.3036 -0.9556 -0.0000 C.3 11 UNL11 0.0000 12 C -12.3109 -1.3368 -0.0000 C.3 12 UNL12 0.0000 13 C -9.3605 8.2037 0.0000 C.3 13 UNL13 0.0000 14 C -17.5296 14.4812 0.0000 C.3 14 UNL14 0.0000 15 C -25.8381 8.9161 -0.0000 C.3 15 UNL15 0.0000 16 C -35.3354 12.0464 -0.0000 C.3 16 UNL16 0.0000 17 C -6.6914 -9.5919 -0.0000 C.3 17 UNL17 -0.0000 18 C 3.2664 -10.3455 -0.0000 C.3 18 UNL18 0.0000 19 C 10.0641 -3.0299 0.0000 C.3 19 UNL19 0.0000 20 C 8.5829 6.8459 0.0000 C.3 20 UNL20 0.0000 21 C -0.0618 11.8454 0.0000 C.3 21 UNL21 0.0000 22 C 17.2349 11.8328 0.0000 C.3 22 UNL22 0.0000 23 C 17.2422 21.8190 0.0000 C.3 23 UNL23 0.0000 24 C 8.5975 26.8185 0.0000 C.3 24 UNL24 0.0000 25 C -0.0545 21.8316 0.0000 C.3 25 UNL25 0.0000 26 O 26.7744 8.8826 0.0000 O.3 26 HOH26 -0.0000 27 O 26.8134 25.1290 0.0000 O.3 27 HOH27 -0.0000 28 O -8.5251 17.1718 0.0000 O.3 28 HOH28 -0.0000 29 O 19.6177 -5.9844 0.0000 O.3 29 HOH29 -0.0000 30 C 21.8358 -15.7354 -0.0000 C.3 30 UNL30 -0.0000 31 O 14.5004 -22.5317 -0.0000 O.3 31 HOH31 -0.0000 32 C 31.3894 -18.6899 0.0000 C.3 32 UNL32 0.0000 33 C 33.6075 -28.4407 -0.0000 C.3 33 UNL33 0.0000 34 C 43.1611 -31.3952 -0.0000 C.3 34 UNL34 0.0000 35 C 50.4966 -24.5989 0.0000 C.3 35 UNL35 0.0000 36 C 48.2785 -14.8479 0.0000 C.3 36 UNL36 0.0000 37 C 38.7249 -11.8934 0.0000 C.3 37 UNL37 0.0000 38 O -11.6977 -18.2486 -0.0000 O.3 38 HOH38 0.0000 39 C -6.7040 -26.9124 -0.0000 C.3 39 UNL39 0.0000 40 C 3.2960 -26.9198 -0.0000 C.3 40 UNL40 0.0000 41 O -11.7103 -35.5690 -0.0000 O.3 41 HOH41 0.0000 42 C 6.9130 -19.6569 -0.0000 C.3 42 UNL42 0.0000 43 O -2.3181 -1.7180 -0.0000 O.3 43 HOH43 0.0000 44 C -8.7112 26.8379 0.0000 C.3 44 UNL44 0.0000 45 C 18.1976 31.7733 0.0000 C.3 45 UNL45 -0.0000 46 C 10.0547 37.5779 0.0000 C.3 46 UNL46 0.0000 47 C 27.2961 35.9230 0.0000 C.3 47 UNL47 0.0000 48 O 8.2163 16.8258 0.0000 O.3 48 HOH48 -0.0000 49 C 42.6700 16.6645 0.0000 C.3 49 UNL49 0.0000 @BOND