@MOLECULE [3-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)propyl]carbamic acid 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.9959 0.2643 -1.0475 O.2 1 UNL1 -0.2891 2 C -4.0653 0.6993 -0.4360 C.2 1 UNL1 0.5277 3 N -4.0254 1.9453 0.1943 N.am 1 UNL1 -0.3942 4 C -2.9194 2.8287 0.0469 C.1 1 UNL1 0.6492 5 O -3.0214 4.0075 -0.1100 O.2 1 UNL1 -0.2955 6 N -1.6698 2.1591 0.2138 N.am 1 UNL1 -0.5138 7 C -2.7601 -0.0419 -0.1809 C.2 1 UNL1 -0.0442 8 C -1.5928 0.8622 0.1100 C.2 1 UNL1 0.3868 9 N -2.7262 -1.3297 -0.2436 N.2 1 UNL1 -0.1521 10 C -1.5106 -1.9538 -0.0484 C.3 1 UNL1 -0.0143 11 C -1.2957 -3.2826 -0.0664 C.2 1 UNL1 0.1513 12 C -0.1647 -4.0927 0.0993 C.2 1 UNL1 -0.4689 13 C -0.2398 -5.4304 0.0646 C.3 1 UNL1 0.5177 14 C 1.0768 -3.3045 0.3155 C.2 1 UNL1 -0.4504 15 C 2.3189 -3.7832 0.4626 C.2 1 UNL1 0.5042 16 C 0.8333 -1.9221 0.3454 C.2 1 UNL1 0.0290 17 C -0.2627 -1.1678 0.2022 C.2 1 UNL1 0.0244 18 N -0.3535 0.2363 0.2623 N.pl3 1 UNL1 -0.2156 19 C 0.7674 0.9476 0.4936 C.1 1 UNL1 0.1612 20 C 1.7912 1.5739 0.6954 C.1 1 UNL1 -0.0841 21 C 2.9495 2.2693 0.9052 C.1 1 UNL1 0.1967 22 C 5.8362 0.9015 -0.8724 C.1 1 UNL1 0.6599 23 N 3.9404 2.8492 1.0723 N.1 1 UNL1 -0.2262 24 O 6.7836 1.4678 -1.2513 O.2 1 UNL1 -0.3151 25 O 4.8939 0.3132 -0.5077 O.2 1 UNL1 -0.3449 @BOND 1 24 22 2 2 1 2 2 3 22 25 2 4 2 7 1 5 2 3 1 6 9 7 2 7 9 10 1 8 7 8 1 9 5 4 2 10 11 10 1 11 11 12 2 12 10 17 1 13 4 3 2 14 4 6 1 15 13 12 1 16 12 14 1 17 8 6 2 18 8 18 1 19 17 18 1 20 17 16 2 21 18 19 1 22 14 16 1 23 14 15 2 24 19 20 3 25 20 21 1 26 21 23 3