@MOLECULE 10-(3,5-dichlorophenyl)-3,7,8-trimethylbenzo[g]pteridine-2,4(3h,10h)-dione 41 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 3.9204 -1.0923 -2.6615 Cl 1 UNL1 -0.0479 2 CL 3.9673 -0.9061 2.6629 Cl 1 UNL1 -0.0487 3 O -4.8721 -1.1454 0.0144 O.2 1 UNL1 -0.4151 4 O -1.5391 -4.2453 0.0449 O.2 1 UNL1 -0.4093 5 N -0.2479 0.1896 -0.0035 N.ar 1 UNL1 -0.3265 6 N -2.9730 0.9340 -0.0048 N.ar 1 UNL1 -0.1733 7 N -3.2086 -2.6937 0.0278 N.ar 1 UNL1 -0.5695 8 N -0.8697 -2.0529 0.0181 N.ar 1 UNL1 -0.5650 9 C -0.5949 1.5420 -0.0125 C.ar 1 UNL1 0.1954 10 C -1.9718 1.8902 -0.0147 C.ar 1 UNL1 -0.0258 11 C -1.2312 -0.7960 0.0074 C.ar 1 UNL1 0.3821 12 C -2.6319 -0.3160 0.0058 C.ar 1 UNL1 -0.0627 13 C 0.3798 2.5566 -0.0193 C.ar 1 UNL1 -0.2849 14 C -0.0033 3.8877 -0.0275 C.ar 1 UNL1 0.1234 15 C -1.3774 4.2414 -0.0330 C.ar 1 UNL1 -0.0498 16 C 1.1373 -0.2020 -0.0023 C.ar 1 UNL1 0.2009 17 C -2.3409 3.2533 -0.0271 C.ar 1 UNL1 -0.0696 18 C -3.6902 -1.3804 0.0162 C.ar 1 UNL1 0.5820 19 C 1.0415 4.9477 -0.0294 C.3 1 UNL1 -0.4583 20 C -1.7841 5.6742 -0.0451 C.3 1 UNL1 -0.4383 21 C 1.8000 -0.3479 1.2204 C.ar 1 UNL1 -0.1861 22 C 1.7787 -0.4329 -1.2232 C.ar 1 UNL1 -0.1828 23 C -1.8301 -3.0786 0.0313 C.ar 1 UNL1 0.7115 24 C -4.1827 -3.7966 0.0394 C.3 1 UNL1 -0.2123 25 C 3.1160 -0.8074 -1.1868 C.ar 1 UNL1 0.0526 26 C 3.1367 -0.7248 1.1863 C.ar 1 UNL1 0.0526 27 C 3.8236 -0.9606 0.0004 C.ar 1 UNL1 -0.1925 28 H 1.4375 2.2939 -0.0178 H 1 UNL1 0.1800 29 H -3.4091 3.4959 -0.0316 H 1 UNL1 0.1866 30 H 2.0646 4.5450 -0.0180 H 1 UNL1 0.1637 31 H 0.9621 5.5898 -0.9213 H 1 UNL1 0.1692 32 H 0.9484 5.6058 0.8494 H 1 UNL1 0.1691 33 H -2.8758 5.8070 -0.0386 H 1 UNL1 0.1605 34 H -1.3954 6.2121 0.8331 H 1 UNL1 0.1600 35 H -1.4080 6.1932 -0.9400 H 1 UNL1 0.1602 36 H 1.2721 -0.1890 2.1634 H 1 UNL1 0.1969 37 H 1.2343 -0.3408 -2.1659 H 1 UNL1 0.1973 38 H -5.2198 -3.4156 0.0411 H 1 UNL1 0.1700 39 H -4.0362 -4.4230 0.9383 H 1 UNL1 0.1559 40 H -4.0443 -4.4353 -0.8520 H 1 UNL1 0.1556 41 H 4.8727 -1.2649 0.0018 H 1 UNL1 0.1929 @BOND 1 1 25 1 2 37 22 1 3 22 25 ar 4 22 16 ar 5 25 27 ar 6 35 20 1 7 31 19 1 8 40 24 1 9 20 33 1 10 20 15 1 11 20 34 1 12 15 14 ar 13 15 17 ar 14 29 17 1 15 19 14 1 16 19 30 1 17 19 32 1 18 14 13 ar 19 17 10 ar 20 13 28 1 21 13 9 ar 22 10 9 ar 23 10 6 ar 24 9 5 ar 25 6 12 ar 26 5 16 1 27 5 11 ar 28 16 21 ar 29 27 41 1 30 27 26 ar 31 12 11 ar 32 12 18 ar 33 11 8 ar 34 3 18 2 35 18 7 ar 36 8 23 ar 37 7 23 ar 38 7 24 1 39 23 4 2 40 24 38 1 41 24 39 1 42 26 21 ar 43 26 2 1 44 21 36 1