@MOLECULE 4-[(1z,3z)-2,3-diisocyano-4-(4-methoxyphenyl)-1,3-butadien-1-yl]phenol 37 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.7874 0.1151 0.3579 O.3 1 UNL1 -0.3142 2 O 7.5193 -0.2134 -0.1600 O.3 1 UNL1 -0.4717 3 N -0.7078 1.4722 0.0129 N.1 1 UNL1 -0.5472 4 N 1.4434 -1.4442 -0.3405 N.1 1 UNL1 -0.5495 5 C -2.7314 -0.5822 0.1261 C.ar 1 UNL1 -0.0861 6 C 3.4833 0.5324 0.1326 C.ar 1 UNL1 -0.0812 7 C -1.2923 -0.8384 0.0975 C.2 1 UNL1 -0.1785 8 C -3.4205 -0.6133 1.3454 C.ar 1 UNL1 -0.0794 9 C -3.4166 -0.3213 -1.0602 C.ar 1 UNL1 -0.0762 10 C -0.3595 0.1333 0.0273 C.2 1 UNL1 0.1807 11 C 2.0470 0.7970 0.2049 C.2 1 UNL1 -0.1891 12 C -5.4579 -0.1052 0.1779 C.ar 1 UNL1 0.2512 13 C 1.1050 -0.1392 -0.0290 C.2 1 UNL1 0.1883 14 C -4.7846 -0.3720 1.3821 C.ar 1 UNL1 -0.2458 15 C -4.7897 -0.0812 -1.0455 C.ar 1 UNL1 -0.2929 16 C 4.1991 0.2642 1.3010 C.ar 1 UNL1 -0.0712 17 C 4.1331 0.5566 -1.1079 C.ar 1 UNL1 -0.0805 18 C 5.5661 0.0055 1.2427 C.ar 1 UNL1 -0.3038 19 C 5.4960 0.3054 -1.1882 C.ar 1 UNL1 -0.2393 20 C 6.1914 0.0290 -0.0052 C.ar 1 UNL1 0.2908 21 C -7.5580 0.4096 -0.7989 C.3 1 UNL1 -0.2030 22 C -1.0480 2.6069 0.0064 C.1 1 UNL1 0.3398 23 C 1.7781 -2.5489 -0.6067 C.1 1 UNL1 0.3418 24 H -1.0129 -1.8951 0.1326 H 1 UNL1 0.1806 25 H -2.8757 -0.8221 2.2664 H 1 UNL1 0.1586 26 H -2.8754 -0.3029 -2.0063 H 1 UNL1 0.1548 27 H 1.7789 1.8243 0.4654 H 1 UNL1 0.1816 28 H -5.3394 -0.3852 2.3171 H 1 UNL1 0.1739 29 H -5.3115 0.1186 -1.9740 H 1 UNL1 0.1638 30 H 3.6837 0.2507 2.2604 H 1 UNL1 0.1567 31 H 3.5633 0.7721 -2.0123 H 1 UNL1 0.1583 32 H 6.1261 -0.2087 2.1460 H 1 UNL1 0.1619 33 H 6.0250 0.3174 -2.1382 H 1 UNL1 0.1775 34 H -7.2156 1.3352 -1.2723 H 1 UNL1 0.1351 35 H -8.5646 0.5429 -0.3794 H 1 UNL1 0.1527 36 H -7.5460 -0.4292 -1.5017 H 1 UNL1 0.1347 37 H 7.9670 -0.4037 0.6989 H 1 UNL1 0.3269 @BOND 1 33 19 1 2 31 17 1 3 26 9 1 4 29 15 1 5 36 21 1 6 34 21 1 7 19 17 ar 8 19 20 ar 9 17 6 ar 10 9 15 ar 11 9 5 ar 12 15 12 ar 13 21 35 1 14 21 1 1 15 23 4 3 16 4 13 1 17 2 20 1 18 2 37 1 19 13 10 1 20 13 11 2 21 20 18 ar 22 22 3 3 23 3 10 1 24 10 7 2 25 7 5 1 26 7 24 1 27 5 8 ar 28 6 11 1 29 6 16 ar 30 12 1 1 31 12 14 ar 32 11 27 1 33 18 16 ar 34 18 32 1 35 16 30 1 36 8 14 ar 37 8 25 1 38 14 28 1