@MOLECULE (1'r,2s,3'r,8'r,12'z,15'r,17's,18's,19'z,21'z,25'r,26's)-5',13',17',26'-tetramethyl-11'h,23'h-spiro[oxirane-2,27'-[2,10,16,24,29]pentaoxapentacyclo[23.2.1.1~15,18~.0~3,8~.0~8,26~]nonacosa[4,12,19,21]tetraene]-11',23'-dione 42 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.7204 -1.3760 -0.4613 C.1 1 UNL1 -0.0603 2 O 1.9310 -1.5164 -0.0275 O.3 1 UNL1 -0.2794 3 C 1.8087 -2.9481 -0.0989 C.2 1 UNL1 0.5910 4 C 3.1228 -3.5334 -0.2525 C.2 1 UNL1 -0.2813 5 C 4.2678 -2.8668 -0.2930 C.2 1 UNL1 -0.0674 6 C 4.9628 -1.6332 -0.2265 C.2 1 UNL1 -0.6204 7 C 4.9572 -0.3015 -0.0840 C.2 1 UNL1 0.5814 8 O 6.1391 0.3794 0.0053 O.2 1 UNL1 -0.1783 9 C 5.8008 1.7356 0.1770 C.2 1 UNL1 -0.4138 10 C 4.3653 1.8249 0.1810 C.2 1 UNL1 0.1318 11 C 3.5100 2.8887 0.3342 C.2 1 UNL1 -0.1878 12 C 2.1205 2.8471 0.2357 C.2 1 UNL1 -0.0990 13 C 1.3631 4.0275 0.4995 C.2 1 UNL1 -0.0864 14 C 0.0299 4.1732 0.2995 C.2 1 UNL1 -0.2336 15 C -0.8107 3.1312 -0.2964 C.2 1 UNL1 0.5938 16 O -2.0114 3.1409 0.3974 O.3 1 UNL1 -0.3596 17 C -2.9550 2.2039 0.1317 C.2 1 UNL1 0.2761 18 C -2.6688 0.7840 -0.0185 C.2 1 UNL1 -0.1205 19 C -5.4035 1.7176 0.0214 C.2 1 UNL1 0.5086 20 C -6.6861 2.0431 0.0398 C.1 1 UNL1 -0.7529 21 O -2.8950 -5.1987 1.9164 O.2 1 UNL1 -0.2241 22 C -3.0775 -4.5848 0.9568 C.1 1 UNL1 0.6443 23 C -3.2874 -3.9154 -0.1414 C.2 1 UNL1 -0.6773 24 C -3.5356 -2.6189 -0.7292 C.2 1 UNL1 -0.1278 25 C 0.8336 -0.8599 0.0170 C.1 1 UNL1 0.1749 26 C -0.2894 -0.3144 0.0342 C.1 1 UNL1 -0.1473 27 C -3.8265 -0.0845 -0.2034 C.2 1 UNL1 0.1468 28 O 0.7278 -3.4472 -0.0280 O.2 1 UNL1 -0.4097 29 C 5.7487 -2.8269 -0.3991 C.3 1 UNL1 0.3868 30 O 3.8799 0.5184 -0.0012 O.2 1 UNL1 -0.1856 31 C 6.7617 2.6669 0.2938 C.3 1 UNL1 0.5232 32 O -0.5995 2.4073 -1.2240 O.2 1 UNL1 -0.4080 33 C -1.4402 0.2790 0.0196 C.3 1 UNL1 0.0853 34 O -5.1370 0.3736 -0.1146 O.2 1 UNL1 -0.2509 35 C -3.3440 -3.8038 -1.5809 C.3 1 UNL1 0.4519 36 C -4.2487 2.5087 0.1227 C.2 1 UNL1 -0.1649 37 C -7.9192 2.3545 0.0533 C.1 1 UNL1 0.3338 38 H 3.1113 -4.6288 -0.3383 H 1 UNL1 0.2009 39 H 3.9832 3.8586 0.5458 H 1 UNL1 0.1701 40 H 1.6072 1.9240 -0.0496 H 1 UNL1 0.1917 41 H 1.9172 4.8842 0.9085 H 1 UNL1 0.1551 42 H -0.4935 5.0939 0.5712 H 1 UNL1 0.1886 @BOND 1 35 24 1 2 35 23 1 3 32 15 2 4 24 1 2 5 24 23 1 6 1 27 2 7 29 5 1 8 29 6 1 9 38 4 1 10 15 14 1 11 15 16 1 12 5 4 2 13 5 6 1 14 4 3 1 15 6 7 2 16 27 34 1 17 27 18 1 18 23 22 2 19 34 19 1 20 3 28 2 21 3 2 1 22 7 30 1 23 7 8 1 24 40 12 1 25 2 25 1 26 18 33 1 27 18 17 2 28 30 10 1 29 8 9 1 30 25 26 3 31 33 26 1 32 19 20 1 33 19 36 2 34 20 37 3 35 36 17 1 36 17 16 1 37 9 10 2 38 9 31 1 39 10 11 1 40 12 11 2 41 12 13 1 42 14 13 2 43 14 42 1 44 11 39 1 45 13 41 1 46 22 21 2