@MOLECULE 1-(4-chloro-1-oxo-3-propoxy-1h-isochromen-7-yl)-3-phenylurea 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -3.3906 -2.6415 -0.1918 Cl 1 UNL1 -0.0124 2 O -3.7448 1.2526 0.0535 O.2 1 UNL1 -0.4362 3 O -5.2565 -0.4131 0.1299 O.3 1 UNL1 -0.2992 4 O -2.3947 2.9561 0.0001 O.2 1 UNL1 -0.3913 5 O 3.3924 -0.9723 0.2047 O.2 1 UNL1 -0.5184 6 N 2.3182 0.9073 -0.5615 N.am 1 UNL1 -0.5889 7 N 4.6449 0.9034 -0.2854 N.am 1 UNL1 -0.5906 8 C -1.6252 -0.5830 -0.2584 C.ar 1 UNL1 0.1252 9 C -1.3555 0.7939 -0.2055 C.ar 1 UNL1 -0.2094 10 C 1.0094 0.3779 -0.4442 C.ar 1 UNL1 0.1766 11 C -0.0430 1.2775 -0.2915 C.ar 1 UNL1 -0.1560 12 C -0.5471 -1.4769 -0.4184 C.ar 1 UNL1 -0.1645 13 C -2.9873 -0.9994 -0.1449 C.ar 1 UNL1 -0.3208 14 C 0.7476 -1.0089 -0.5172 C.ar 1 UNL1 -0.1099 15 C -3.9748 -0.0729 0.0096 C.ar 1 UNL1 0.4874 16 C -2.4270 1.7620 -0.0530 C.ar 1 UNL1 0.6158 17 C -6.1963 0.6735 0.3151 C.3 1 UNL1 -0.0254 18 C -7.5238 -0.0649 0.4663 C.3 1 UNL1 -0.2779 19 C 3.4531 0.1761 -0.1741 C.2 1 UNL1 0.7285 20 C -8.6519 0.9433 0.6569 C.3 1 UNL1 -0.4334 21 C 5.9237 0.3788 0.0237 C.ar 1 UNL1 0.2379 22 C 7.0056 1.2747 -0.0715 C.ar 1 UNL1 -0.2638 23 C 6.1438 -0.9503 0.4029 C.ar 1 UNL1 -0.2225 24 C 8.2913 0.8301 0.2135 C.ar 1 UNL1 -0.0893 25 C 7.4395 -1.3738 0.6850 C.ar 1 UNL1 -0.0924 26 C 8.5145 -0.4927 0.5923 C.ar 1 UNL1 -0.2025 27 H 0.1322 2.3533 -0.2325 H 1 UNL1 0.1747 28 H -0.7359 -2.5514 -0.4658 H 1 UNL1 0.1789 29 H 1.5732 -1.7171 -0.6500 H 1 UNL1 0.1962 30 H -6.1617 1.3277 -0.5727 H 1 UNL1 0.1445 31 H -5.9140 1.2440 1.2167 H 1 UNL1 0.1453 32 H -7.7117 -0.7005 -0.4229 H 1 UNL1 0.1563 33 H -7.4753 -0.7674 1.3229 H 1 UNL1 0.1563 34 H 2.3889 1.8921 -0.7808 H 1 UNL1 0.3142 35 H -8.7503 1.6122 -0.2065 H 1 UNL1 0.1480 36 H -9.6159 0.4352 0.7842 H 1 UNL1 0.1497 37 H -8.4959 1.5676 1.5452 H 1 UNL1 0.1483 38 H 4.6253 1.8599 -0.6196 H 1 UNL1 0.3133 39 H 6.8457 2.3086 -0.3625 H 1 UNL1 0.1538 40 H 5.3196 -1.6624 0.4836 H 1 UNL1 0.2001 41 H 9.1293 1.5224 0.1405 H 1 UNL1 0.1482 42 H 7.6099 -2.4091 0.9817 H 1 UNL1 0.1523 43 H 9.5217 -0.8346 0.8147 H 1 UNL1 0.1532 @BOND 1 34 6 1 2 29 14 1 3 38 7 1 4 30 17 1 5 6 10 1 6 6 19 am 7 14 10 ar 8 14 12 ar 9 28 12 1 10 10 11 ar 11 32 18 1 12 12 8 ar 13 39 22 1 14 11 27 1 15 11 9 ar 16 7 19 am 17 7 21 1 18 8 9 ar 19 8 13 ar 20 35 20 1 21 9 16 ar 22 1 13 1 23 19 5 2 24 13 15 ar 25 22 21 ar 26 22 24 ar 27 16 4 2 28 16 2 ar 29 15 2 ar 30 15 3 1 31 21 23 ar 32 3 17 1 33 41 24 1 34 24 26 ar 35 17 18 1 36 17 31 1 37 23 40 1 38 23 25 ar 39 18 20 1 40 18 33 1 41 26 25 ar 42 26 43 1 43 20 36 1 44 20 37 1 45 25 42 1