@MOLECULE (3ar,8ar,8bs)-1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium 26 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6225 -0.2238 0.0015 O.3 1 UNL1 0.2295 2 C 0.2544 0.0398 0.0005 C.3 1 UNL1 0.2174 3 N -0.2665 1.3157 0.0002 N.pl3 1 UNL1 -0.2951 4 C 0.4845 2.4619 -0.0010 C.3 1 UNL1 0.2370 5 C 1.9056 2.2311 -0.0020 C.ar 1 UNL1 -0.2625 6 C 2.5160 0.8936 -0.0003 C.ar 1 UNL1 0.0141 7 C 3.8836 0.8948 -0.0004 C.ar 1 UNL1 -0.1420 8 C 4.6640 1.9049 -0.0016 C.ar 1 UNL1 0.1072 9 C 4.1258 3.1369 -0.0039 C.ar 1 UNL1 -0.0941 10 C 2.8553 3.2356 -0.0036 C.ar 1 UNL1 0.0570 11 C -1.7019 1.1828 0.0002 C.2 1 UNL1 -0.1036 12 C -2.5535 2.2062 0.0016 C.1 1 UNL1 0.0294 13 S -3.4995 3.3394 0.0044 S.3 1 UNL1 0.3029 14 C -6.6111 -2.5848 0.0022 C.1 1 UNL1 0.4121 15 C -5.4710 -2.0013 -0.0036 C.1 1 UNL1 -0.7597 16 C -4.3157 -1.4352 -0.0046 C.1 1 UNL1 0.5327 17 C -3.1949 -0.8386 -0.0038 C.1 1 UNL1 -0.5305 18 C -2.0148 -0.2596 -0.0018 C.2 1 UNL1 0.4417 19 N -0.7363 -0.9329 -0.0010 N.pl3 1 UNL1 -0.3909 20 C -0.4651 -2.2911 -0.0021 C.3 1 UNL1 0.3308 21 C 0.9508 -2.6004 -0.0007 C.ar 1 UNL1 -0.2808 22 C 2.0229 -1.5995 0.0027 C.ar 1 UNL1 0.0154 23 C 3.2878 -2.1165 0.0059 C.ar 1 UNL1 -0.1483 24 C 3.6234 -3.3494 0.0048 C.ar 1 UNL1 0.1085 25 C 2.6585 -4.2833 0.0005 C.ar 1 UNL1 -0.0995 26 C 1.4450 -3.8900 -0.0018 C.ar 1 UNL1 0.0714 @BOND 1 16 17 3 2 16 15 1 3 9 10 ar 4 9 8 ar 5 17 18 1 6 10 5 ar 7 15 14 3 8 20 19 1 9 20 21 1 10 5 4 1 11 5 6 ar 12 26 21 ar 13 26 25 ar 14 18 19 1 15 18 11 2 16 8 7 ar 17 19 2 1 18 4 3 1 19 21 22 ar 20 7 6 ar 21 6 1 1 22 3 11 1 23 3 2 1 24 11 12 1 25 25 24 ar 26 2 1 1 27 12 13 3 28 22 23 ar 29 24 23 ar