@MOLECULE 2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-5-sulfobenzenesulfonate 37 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.4605 -0.2279 -2.6726 S.3 1 UNL1 2.3755 2 S 5.7964 -0.7281 1.3420 S.3 1 UNL1 2.4394 3 O 1.5195 -1.5176 -3.2712 O.3 1 UNL1 -0.7982 4 O 1.8944 0.9582 -3.3271 O.3 1 UNL1 -0.7932 5 O -0.1320 0.0212 -2.1129 O.3 1 UNL1 -0.6722 6 O 6.1503 -0.8436 -0.0513 O.3 1 UNL1 -0.8886 7 O 5.9229 0.5447 1.9931 O.3 1 UNL1 -0.8389 8 O 5.6173 -1.9182 2.1229 O.3 1 UNL1 -0.8370 9 N -4.0833 -4.4043 0.6674 N.pl3 1 UNL1 0.5154 10 N -2.7279 5.3223 0.6676 N.pl3 1 UNL1 0.5168 11 C -0.3221 0.0268 -0.7199 C.3 1 UNL1 0.3566 12 C 1.0302 -0.1487 -0.0644 C.ar 1 UNL1 0.0737 13 C -1.2391 -1.0993 -0.3765 C.ar 1 UNL1 0.0578 14 C -0.9212 1.3484 -0.3620 C.ar 1 UNL1 0.0795 15 C -3.1694 -3.3501 0.3247 C.ar 1 UNL1 0.0742 16 C 2.0977 -0.2941 -1.0311 C.ar 1 UNL1 -0.4788 17 C -2.1497 4.0493 0.3372 C.ar 1 UNL1 0.0696 18 C -2.1065 -1.8186 -1.1941 C.ar 1 UNL1 0.0357 19 C -1.4887 -1.6976 0.8577 C.ar 1 UNL1 -0.0670 20 C -2.1890 1.6468 0.1326 C.ar 1 UNL1 -0.0313 21 C -0.3670 2.6243 -0.4531 C.ar 1 UNL1 -0.0423 22 C -2.9150 -2.7597 -0.9132 C.ar 1 UNL1 -0.0519 23 C -2.2953 -2.6345 1.1491 C.ar 1 UNL1 0.0034 24 C 1.4503 -0.1921 1.2331 C.ar 1 UNL1 -0.1477 25 C -2.7037 2.7705 0.4289 C.ar 1 UNL1 -0.0133 26 C -0.8801 3.7505 -0.1640 C.ar 1 UNL1 -0.0072 27 C -4.7828 -4.8976 -0.2995 C.1 1 UNL1 -0.7106 28 C -4.1131 -4.7549 1.9114 C.1 1 UNL1 -0.7191 29 C -1.9793 6.3583 0.4795 C.1 1 UNL1 -0.7176 30 C -3.9380 5.3030 1.1192 C.1 1 UNL1 -0.7155 31 C 3.2958 -0.4417 -0.4191 C.ar 1 UNL1 0.3823 32 C 3.7390 -0.4871 0.8129 C.ar 1 UNL1 -0.3056 33 C 2.6572 -0.3434 1.6237 C.ar 1 UNL1 0.1974 34 C -5.4914 -5.4107 -1.2328 C.1 1 UNL1 0.4160 35 C -4.1737 -5.1339 3.1305 C.1 1 UNL1 0.4103 36 C -1.2731 7.4106 0.3059 C.1 1 UNL1 0.4164 37 C -5.1357 5.3273 1.5674 C.1 1 UNL1 0.4162 @BOND 1 4 1 1 2 3 1 1 3 1 5 1 4 1 16 1 5 5 11 1 6 34 27 3 7 18 22 ar 8 18 13 ar 9 16 31 ar 10 16 12 ar 11 22 15 ar 12 11 13 1 13 11 14 1 14 11 12 1 15 21 14 ar 16 21 26 ar 17 31 32 ar 18 13 19 ar 19 14 20 ar 20 27 9 1 21 26 17 ar 22 12 24 ar 23 6 2 1 24 20 25 ar 25 36 29 3 26 15 9 1 27 15 23 ar 28 17 25 ar 29 17 10 1 30 29 10 1 31 9 28 1 32 10 30 1 33 32 2 1 34 32 33 ar 35 19 23 ar 36 30 37 3 37 24 33 ar 38 2 7 1 39 2 8 1 40 28 35 3