@MOLECULE 2-amino-5,6,7,8-tetrahydropteridin-4-ol 21 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.6314 -2.6266 -0.0853 O.2 1 UNL1 -0.4413 2 N 1.4418 1.7036 -0.1528 N.pl3 1 UNL1 -0.5100 3 N 1.7489 -1.1372 0.2638 N.pl3 1 UNL1 -0.4558 4 N -0.9324 1.4165 -0.0294 N.ar 1 UNL1 -0.5483 5 N -1.9487 -0.7717 0.0744 N.ar 1 UNL1 -0.6020 6 N -3.2876 1.1510 -0.0420 N.pl3 1 UNL1 -0.6044 7 C 2.7348 1.0992 0.2521 C.3 1 UNL1 -0.1001 8 C 2.8436 -0.3359 -0.3197 C.3 1 UNL1 -0.1137 9 C 0.3492 0.8200 -0.0181 C.ar 1 UNL1 0.2756 10 C 0.4872 -0.5429 0.0462 C.ar 1 UNL1 -0.1667 11 C -0.7011 -1.4243 0.0027 C.ar 1 UNL1 0.5962 12 C -2.0343 0.5330 0.0111 C.ar 1 UNL1 0.5630 13 H 2.8363 1.0645 1.3608 H 1 UNL1 0.1455 14 H 3.5469 1.7375 -0.1532 H 1 UNL1 0.1470 15 H 2.8060 -0.3026 -1.4304 H 1 UNL1 0.1404 16 H 3.8074 -0.7915 -0.0224 H 1 UNL1 0.1495 17 H 1.2981 2.6274 0.2495 H 1 UNL1 0.2842 18 H 1.7708 -2.1262 0.0077 H 1 UNL1 0.3010 19 H -1.0360 2.3353 -0.4460 H 1 UNL1 0.3262 20 H -3.3963 2.0277 0.4327 H 1 UNL1 0.2935 21 H -4.0712 0.5201 0.0792 H 1 UNL1 0.3204 @BOND 1 15 8 1 2 19 4 1 3 8 16 1 4 8 7 1 5 8 3 1 6 14 7 1 7 2 9 1 8 2 17 1 9 2 7 1 10 1 11 2 11 6 12 1 12 6 21 1 13 6 20 1 14 4 9 ar 15 4 12 ar 16 9 10 ar 17 11 10 ar 18 11 5 ar 19 18 3 1 20 12 5 ar 21 10 3 1 22 7 13 1