@MOLECULE 3-ethyl-2-[(1e,3e,5z)-5-(3-ethyl-1,3-benzoxazol-2(3h)-ylidene)-1,3-pentadien-1-yl]-1,3-benzoxazol-3-ium 32 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.8123 1.6301 -0.0601 O.2 1 UNL1 -0.1471 2 O 4.8067 1.6276 0.0629 O.2 1 UNL1 -0.1473 3 N -4.0770 -0.5536 -0.0078 N.ar 1 UNL1 0.1415 4 N 4.0784 -0.5587 -0.0192 N.ar 1 UNL1 0.1417 5 C -5.4795 -0.5847 0.0214 C.ar 1 UNL1 -0.0292 6 C 5.4816 -0.5855 -0.0034 C.ar 1 UNL1 -0.0290 7 C -3.2957 -1.5925 0.0054 C.1 1 UNL1 -0.6640 8 C -3.6895 0.7860 -0.0514 C.ar 1 UNL1 0.1465 9 C 3.2987 -1.5982 -0.0599 C.1 1 UNL1 -0.6635 10 C 3.6870 0.7801 0.0182 C.ar 1 UNL1 0.1465 11 C -5.9117 0.8248 -0.0124 C.ar 1 UNL1 0.1044 12 C 5.9091 0.8253 0.0504 C.ar 1 UNL1 0.1044 13 C -6.4821 -1.5227 0.0729 C.ar 1 UNL1 0.0341 14 C 6.4888 -1.5194 -0.0250 C.ar 1 UNL1 0.0337 15 C -7.2516 1.0822 0.0111 C.ar 1 UNL1 -0.0282 16 C 7.2486 1.0864 0.0747 C.ar 1 UNL1 -0.0284 17 C -2.5552 -2.6221 0.0183 C.1 1 UNL1 0.3052 18 C 2.5563 -2.6254 -0.0979 C.1 1 UNL1 0.3048 19 C -2.4516 1.4199 -0.0739 C.2 1 UNL1 -0.1758 20 C 2.4496 1.4142 0.0115 C.2 1 UNL1 -0.1761 21 C -7.7571 -1.1778 0.0934 C.ar 1 UNL1 -0.0033 22 C 7.7625 -1.1713 0.0008 C.ar 1 UNL1 -0.0033 23 C -8.1353 0.0994 0.0627 C.ar 1 UNL1 0.0470 24 C 8.1367 0.1066 0.0500 C.ar 1 UNL1 0.0473 25 C -1.2238 0.7578 -0.0569 C.3 1 UNL1 -0.1142 26 C 1.2211 0.7550 -0.0215 C.2 1 UNL1 -0.1139 27 C -0.0006 1.4422 -0.0445 C.2 1 UNL1 -0.1345 28 H -2.4729 2.5179 -0.1016 H 1 UNL1 0.1873 29 H 2.4723 2.5122 0.0343 H 1 UNL1 0.1873 30 H -1.2119 -0.3404 -0.0469 H 1 UNL1 0.1843 31 H 1.2067 -0.3430 -0.0293 H 1 UNL1 0.1840 32 H 0.0009 2.5339 -0.0497 H 1 UNL1 0.1579 @BOND 1 28 19 1 2 18 9 3 3 19 25 1 4 19 8 2 5 1 8 ar 6 1 11 ar 7 9 4 1 8 25 30 1 9 25 27 1 10 8 3 ar 11 32 27 1 12 27 26 2 13 31 26 1 14 14 6 ar 15 14 22 ar 16 26 20 1 17 4 6 ar 18 4 10 ar 19 11 15 ar 20 11 5 ar 21 3 7 1 22 3 5 ar 23 6 12 ar 24 22 24 ar 25 7 17 3 26 15 23 ar 27 20 10 2 28 20 29 1 29 10 2 ar 30 5 13 ar 31 24 16 ar 32 12 2 ar 33 12 16 ar 34 23 21 ar 35 13 21 ar