@MOLECULE 4,4-bis(2-benzoxazolyl)stilbene 50 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.1083 1.2832 -0.0130 C.ar 1 UNL1 -0.0967 2 C -3.8609 -1.1298 0.0253 C.ar 1 UNL1 -0.0829 3 C -2.7264 1.4201 0.0095 C.ar 1 UNL1 -0.1720 4 C -2.4787 -0.9857 0.0500 C.ar 1 UNL1 -0.1712 5 C -9.4162 -1.4716 0.0052 C.ar 1 UNL1 -0.1081 6 C -9.3177 1.4086 -0.0008 C.ar 1 UNL1 -0.1840 7 C -10.5714 -0.6930 0.0038 C.ar 1 UNL1 -0.1744 8 C -10.5249 0.7102 0.0013 C.ar 1 UNL1 -0.1195 9 C 2.7261 -1.4199 -0.0289 C.ar 1 UNL1 -0.1720 10 C 2.4790 0.9858 -0.0778 C.ar 1 UNL1 -0.1713 11 C 4.1077 -1.2828 0.0099 C.ar 1 UNL1 -0.0967 12 C 3.8612 1.1299 -0.0364 C.ar 1 UNL1 -0.0828 13 C 9.4161 1.4715 0.0106 C.ar 1 UNL1 -0.1082 14 C 9.3179 -1.4087 0.0117 C.ar 1 UNL1 -0.1839 15 C 10.5713 0.6931 0.0013 C.ar 1 UNL1 -0.1743 16 C 10.5251 -0.7101 0.0019 C.ar 1 UNL1 -0.1195 17 C -6.1149 -0.1596 -0.0028 C.ar 1 UNL1 0.3177 18 C -4.6791 0.0053 0.0002 C.ar 1 UNL1 -0.0710 19 C -1.8980 0.2880 0.0455 C.ar 1 UNL1 0.0350 20 C 1.8982 -0.2879 -0.0757 C.ar 1 UNL1 0.0350 21 C 4.6789 -0.0051 0.0013 C.ar 1 UNL1 -0.0710 22 C 6.1147 0.1594 0.0185 C.ar 1 UNL1 0.3178 23 C -0.4524 0.4826 0.0980 C.2 1 UNL1 -0.1560 24 C 0.4529 -0.4824 -0.1360 C.2 1 UNL1 -0.1560 25 N -6.8637 -1.2413 0.0013 N.ar 1 UNL1 -0.3965 26 N 6.8638 1.2410 0.0200 N.ar 1 UNL1 -0.3965 27 C -8.2009 -0.7965 0.0021 C.ar 1 UNL1 0.0502 28 C -8.1774 0.6280 -0.0011 C.ar 1 UNL1 0.1030 29 C 8.2009 0.7963 0.0180 C.ar 1 UNL1 0.0502 30 C 8.1774 -0.6282 0.0179 C.ar 1 UNL1 0.1030 31 O -6.8627 1.0386 -0.0041 O.2 1 UNL1 -0.2603 32 O 6.8626 -1.0389 0.0203 O.2 1 UNL1 -0.2604 33 H -4.7460 2.1690 -0.0372 H 1 UNL1 0.1689 34 H -4.3166 -2.1249 0.0300 H 1 UNL1 0.1793 35 H -2.2844 2.4158 0.0008 H 1 UNL1 0.1593 36 H -1.8494 -1.8739 0.0832 H 1 UNL1 0.1593 37 H -9.4514 -2.5587 0.0086 H 1 UNL1 0.1730 38 H -9.2753 2.4928 -0.0021 H 1 UNL1 0.1738 39 H -11.5435 -1.1859 0.0052 H 1 UNL1 0.1584 40 H -11.4614 1.2688 0.0010 H 1 UNL1 0.1570 41 H -0.1354 1.4987 0.3531 H 1 UNL1 0.1577 42 H 0.1361 -1.4983 -0.3926 H 1 UNL1 0.1578 43 H 2.2843 -2.4156 -0.0227 H 1 UNL1 0.1593 44 H 1.8501 1.8740 -0.1164 H 1 UNL1 0.1593 45 H 4.7448 -2.1686 0.0443 H 1 UNL1 0.1689 46 H 4.3166 2.1250 -0.0377 H 1 UNL1 0.1792 47 H 9.4509 2.5586 0.0114 H 1 UNL1 0.1730 48 H 9.2756 -2.4929 0.0133 H 1 UNL1 0.1738 49 H 11.5433 1.1861 -0.0072 H 1 UNL1 0.1584 50 H 11.4614 -1.2689 -0.0059 H 1 UNL1 0.1570 @BOND 1 42 24 1 2 24 20 1 3 24 23 2 4 44 10 1 5 10 20 ar 6 10 12 ar 7 20 9 ar 8 46 12 1 9 33 1 1 10 12 21 ar 11 9 43 1 12 9 11 ar 13 1 18 ar 14 1 3 ar 15 49 15 1 16 50 16 1 17 31 17 ar 18 31 28 ar 19 17 18 1 20 17 25 ar 21 38 6 1 22 28 6 ar 23 28 27 ar 24 6 8 ar 25 18 2 ar 26 35 3 1 27 40 8 1 28 21 11 ar 29 21 22 1 30 15 16 ar 31 15 13 ar 32 8 7 ar 33 25 27 ar 34 16 14 ar 35 27 5 ar 36 7 5 ar 37 7 39 1 38 5 37 1 39 3 19 ar 40 11 45 1 41 13 47 1 42 13 29 ar 43 14 48 1 44 14 30 ar 45 30 29 ar 46 30 32 ar 47 29 26 ar 48 22 26 ar 49 22 32 ar 50 2 34 1 51 2 4 ar 52 19 4 ar 53 19 23 1 54 4 36 1 55 23 41 1