@MOLECULE 10-methylbenzo[g]pteridine-2,4(3h,10h)-dione 25 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.0831 -2.7365 -0.0151 O.2 1 UNL1 -0.4007 2 O 4.1035 1.3132 0.0115 O.2 1 UNL1 -0.4189 3 N -0.5267 1.3175 -0.0050 N.ar 1 UNL1 -0.2817 4 N -0.4635 -1.5108 0.0067 N.ar 1 UNL1 -0.1781 5 N 1.8065 1.3516 0.0028 N.ar 1 UNL1 -0.5857 6 N 3.0816 -0.7098 -0.0030 N.ar 1 UNL1 -0.6752 7 C -1.7176 0.5969 -0.0036 C.ar 1 UNL1 0.1819 8 C 0.6936 0.6538 -0.0008 C.ar 1 UNL1 0.3752 9 C -1.6649 -0.8265 0.0064 C.ar 1 UNL1 -0.0300 10 C 0.6365 -0.8244 0.0010 C.ar 1 UNL1 -0.0669 11 C -0.5517 2.7858 -0.0022 C.3 1 UNL1 -0.2514 12 C -2.9807 1.2301 -0.0118 C.ar 1 UNL1 -0.2541 13 C -2.8614 -1.5810 0.0127 C.ar 1 UNL1 -0.0313 14 C 1.9537 -1.5395 -0.0058 C.ar 1 UNL1 0.5883 15 C -4.1323 0.4689 -0.0065 C.ar 1 UNL1 -0.0450 16 C -4.0793 -0.9376 0.0094 C.ar 1 UNL1 -0.2125 17 C 3.0569 0.7192 0.0050 C.ar 1 UNL1 0.7186 18 H -1.0449 3.1656 0.9094 H 1 UNL1 0.1589 19 H -1.0663 3.1695 -0.9000 H 1 UNL1 0.1585 20 H 0.4839 3.2041 -0.0137 H 1 UNL1 0.2159 21 H -3.0495 2.3159 -0.0241 H 1 UNL1 0.1729 22 H -2.7848 -2.6742 0.0208 H 1 UNL1 0.1864 23 H -5.1075 0.9622 -0.0130 H 1 UNL1 0.1595 24 H -5.0072 -1.5092 0.0194 H 1 UNL1 0.1687 25 H 4.0020 -1.1599 -0.0072 H 1 UNL1 0.3464 @BOND 1 19 11 1 2 21 12 1 3 1 14 2 4 20 11 1 5 23 15 1 6 12 15 ar 7 12 7 ar 8 25 6 1 9 15 16 ar 10 14 6 ar 11 14 10 ar 12 3 7 ar 13 3 11 1 14 3 8 ar 15 7 9 ar 16 6 17 ar 17 11 18 1 18 8 10 ar 19 8 5 ar 20 10 4 ar 21 5 17 ar 22 17 2 2 23 9 4 ar 24 9 13 ar 25 16 13 ar 26 16 24 1 27 13 22 1