@MOLECULE (2r,4s,5r,9r,10r,13r,14r,15s,16r,18r,19r)-9-(3-furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.0~2,4~.0~4,13~.0~5,10~.0~14,18~]nonadec-19-yl (2e)-2-methyl-2-butenoate 41 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.9455 0.7670 0.1526 C.2 1 UNL1 -0.5573 2 C -2.1616 2.6136 0.4507 C.1 1 UNL1 -0.5109 3 C 0.9207 2.5814 -1.0596 C.2 1 UNL1 -0.5470 4 C -3.3322 -0.4844 0.0179 C.2 1 UNL1 0.3911 5 C -1.9794 0.0466 0.0216 C.2 1 UNL1 -0.3828 6 C 1.1340 1.2499 -0.5401 C.ar 1 UNL1 0.3198 7 C 3.4408 0.3904 -0.2882 C.ar 1 UNL1 0.1075 8 C 2.5890 1.4019 -0.5714 C.ar 1 UNL1 -0.2799 9 C 2.8834 -0.9153 0.0361 C.ar 1 UNL1 -0.3169 10 C 1.5053 -1.0405 0.0749 C.ar 1 UNL1 0.2580 11 C 0.7057 -2.1880 0.2865 C.2 1 UNL1 -0.2526 12 C 1.0001 -3.4791 0.5415 C.1 1 UNL1 0.6011 13 O 3.1912 -3.1752 0.5274 O.2 1 UNL1 -0.5536 14 C 3.7417 -2.1036 0.2974 C.2 1 UNL1 0.5508 15 C 5.1594 -1.9187 0.2568 C.ar 1 UNL1 -0.6168 16 C 6.1894 -2.9005 0.4859 C.ar 1 UNL1 0.5115 17 O 7.4025 -2.1684 0.3126 O.2 1 UNL1 -0.5107 18 C 7.3673 -0.9214 0.0207 C.ar 1 UNL1 0.5494 19 C 5.7696 -0.6287 -0.0479 C.ar 1 UNL1 -0.2113 20 O 1.1172 -4.5990 0.7624 O.2 1 UNL1 -0.1058 21 O -3.9225 -1.6525 -0.0826 O.2 1 UNL1 -0.2436 22 C -5.3433 -1.5526 -0.0613 C.2 1 UNL1 0.3849 23 C -5.9889 -2.6966 -0.1993 C.2 1 UNL1 -0.3829 24 O -5.9340 -0.3412 0.0908 O.2 1 UNL1 -0.2915 25 C -5.7677 -4.1127 -0.3793 C.2 1 UNL1 -0.8006 26 C -7.1371 -3.5503 -0.2969 C.3 1 UNL1 0.5077 27 C -5.0378 -5.1725 -0.5187 C.2 1 UNL1 0.4791 28 C -5.3578 0.8450 0.2032 C.3 1 UNL1 0.3977 29 C -1.8251 3.7881 0.7951 C.1 1 UNL1 0.4736 30 C -1.4257 4.9604 1.1191 C.1 1 UNL1 -0.6644 31 O -0.7343 7.2006 1.8016 O.3 1 UNL1 -0.2850 32 C -1.0692 6.1357 1.4801 C.1 1 UNL1 0.6042 33 O 3.1290 3.7227 -1.3280 O.2 1 UNL1 -0.3716 34 C 2.4270 2.8113 -1.0532 C.2 1 UNL1 0.5827 35 C -2.6259 1.4153 0.2099 C.2 1 UNL1 0.4376 36 C -0.0746 3.3324 -1.4974 C.1 1 UNL1 0.6086 37 C 4.8168 0.2130 -0.2419 C.3 1 UNL1 0.2679 38 C 0.5851 0.0617 -0.1628 C.ar 1 UNL1 -0.2375 39 C -0.7433 -0.4822 0.0027 C.3 1 UNL1 0.3994 40 O -0.6724 -1.8459 0.2075 O.2 1 UNL1 -0.1650 41 O -0.8891 4.0101 -1.9424 O.2 1 UNL1 -0.1447 @BOND 1 41 36 2 2 36 3 2 3 33 34 2 4 3 34 1 5 3 6 1 6 34 8 1 7 8 6 ar 8 8 7 ar 9 6 38 ar 10 27 25 2 11 25 26 1 12 25 23 1 13 26 23 1 14 7 37 1 15 7 9 ar 16 37 19 1 17 23 22 2 18 38 39 1 19 38 10 ar 20 21 22 1 21 21 4 1 22 22 24 1 23 19 18 ar 24 19 15 ar 25 39 5 1 26 39 40 1 27 4 5 2 28 4 1 1 29 18 17 ar 30 5 35 1 31 9 10 ar 32 9 14 1 33 10 11 1 34 24 28 1 35 1 28 1 36 1 35 2 37 40 11 1 38 35 2 1 39 15 14 1 40 15 16 ar 41 11 12 2 42 14 13 2 43 17 16 ar 44 2 29 3 45 12 20 2 46 29 30 1 47 30 32 3 48 32 31 1