@MOLECULE 2-amino-7-[(Z)-(2-amino-4,6-dioxo-1H-pteridine-3,5,8-triium-7-ylidene)methyl]-1,5-dihydropteridine-3,8-diium-4a-ide-4,6-dione 37 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4371 -3.5301 0.3814 O.2 1 UNL1 -0.2471 2 O -2.3860 -3.5386 -0.3161 O.2 1 UNL1 -0.2548 3 O 6.1365 -0.3028 -0.1634 O.2 1 UNL1 -0.2366 4 O -6.0989 -0.2587 -0.6193 O.2 1 UNL1 -0.2631 5 N 1.3762 -0.0966 0.1678 N.ar 1 UNL1 -0.7609 6 N 3.6971 -1.6830 0.1512 N.ar 1 UNL1 -0.6096 7 N 2.7074 1.8715 -0.0720 N.ar 1 UNL1 -0.7977 8 N -3.6715 -1.6895 -0.3144 N.ar 1 UNL1 -0.5727 9 N -1.4035 -0.1490 0.3162 N.ar 1 UNL1 -0.5826 10 N -2.7481 1.7938 0.4253 N.ar 1 UNL1 -0.8248 11 N 5.1099 1.7357 -0.2241 N.ar 1 UNL1 -0.7019 12 N -5.0963 1.7346 -0.1190 N.ar 1 UNL1 -0.7546 13 N 4.0285 3.7995 -0.4737 N.pl3 1 UNL1 -0.9780 14 N -4.1079 3.7257 0.6033 N.pl3 1 UNL1 -0.9783 15 C 2.6372 0.4722 0.0287 C.ar 1 UNL1 0.4203 16 C 1.2299 -1.4768 0.2065 C.ar 1 UNL1 0.6987 17 C 3.7774 -0.2981 0.0197 C.ar 1 UNL1 -0.0547 18 C 0.0145 -2.0906 0.1958 C.2 1 UNL1 -0.9675 19 C -1.2693 -1.4483 0.1350 C.ar 1 UNL1 0.6602 20 C 2.4748 -2.3270 0.2561 C.ar 1 UNL1 0.1864 21 C -3.7838 -0.3279 -0.1328 C.ar 1 UNL1 -0.0863 22 C -2.6641 0.4076 0.2104 C.ar 1 UNL1 0.3658 23 C -2.4390 -2.3398 -0.1719 C.ar 1 UNL1 0.1979 24 C 5.1143 0.3326 -0.1331 C.ar 1 UNL1 0.3887 25 C 3.9979 2.4279 -0.2387 C.ar 1 UNL1 0.8293 26 C -5.1073 0.3520 -0.3123 C.ar 1 UNL1 0.4771 27 C -4.0150 2.3799 0.2746 C.ar 1 UNL1 0.8822 28 H 0.5295 0.4781 0.1773 H 1 UNL1 0.5164 29 H -0.0114 -3.1981 0.2216 H 1 UNL1 0.3524 30 H 4.5707 -2.2131 0.1669 H 1 UNL1 0.4554 31 H 1.8692 2.3957 -0.2784 H 1 UNL1 0.4750 32 H -4.5095 -2.2193 -0.5747 H 1 UNL1 0.4496 33 H -1.9839 2.2503 0.9038 H 1 UNL1 0.5016 34 H 3.3576 4.3866 -0.0164 H 1 UNL1 0.4413 35 H 4.9577 4.2043 -0.5458 H 1 UNL1 0.4680 36 H -4.9935 4.1726 0.3916 H 1 UNL1 0.4714 37 H -3.3042 4.3143 0.5109 H 1 UNL1 0.4333 @BOND 1 4 26 2 2 32 8 1 3 35 13 1 4 13 25 1 5 13 34 1 6 2 23 2 7 8 23 ar 8 8 21 ar 9 26 21 ar 10 26 12 ar 11 31 7 1 12 25 11 ar 13 25 7 ar 14 11 24 ar 15 23 19 ar 16 3 24 2 17 24 17 ar 18 21 22 ar 19 12 27 ar 20 7 15 ar 21 17 15 ar 22 17 6 ar 23 15 5 ar 24 19 18 1 25 19 9 ar 26 6 30 1 27 6 20 ar 28 5 28 1 29 5 16 ar 30 18 16 2 31 18 29 1 32 16 20 ar 33 22 9 ar 34 22 10 ar 35 20 1 2 36 27 10 ar 37 27 14 1 38 36 14 1 39 10 33 1 40 37 14 1