0 0 2 D-8-oxo-GUANOSINE - with 5' - phosphate group and 3' - O(minus) group 8OG INT 1 CORRECT OMIT DU BEG 0.0 1 DUMM DU M 0 -1 -2 0.00 0.00 0.00 0.0000 2 DUMM DU M 1 0 -1 1.00 0.00 0.00 0.0000 3 DUMM DU M 2 1 0 1.00 90.00 0.00 0.0000 4 P P M 3 2 1 1.60 119.04 200.00 1.1659 5 O1P O2 E 4 3 2 1.48 109.61 150.00 -0.7761 6 O2P O2 E 4 3 2 1.48 109.58 20.00 -0.7761 7 O5' OS M 4 3 2 1.60 101.43 -98.89 -0.4954 8 C5' CT M 7 4 3 1.44 119.00 -39.22 -0.0069 9 H5'1 H1 E 8 7 4 1.09 109.50 60.00 0.0754 10 H5'2 H1 E 8 7 4 1.09 109.50 -60.00 0.0754 11 C4' CT M 8 7 4 1.52 110.00 180.00 0.1629 12 H4' H1 E 11 8 7 1.09 109.50 -200.00 0.1176 13 O4' OS S 11 8 7 1.46 108.86 -86.31 -0.3691 14 C1' CT B 13 11 8 1.42 110.04 105.60 0.0358 15 H1' H2 E 14 13 11 1.09 109.50 -240.00 0.1746 16 N9 N* S 14 13 11 1.49 108.06 -127.70 0.1110 17 C8 CK B 16 14 13 1.38 129.20 81.59 0.4468 18 O8 O E 17 16 14 1.23 120.00 0.00 -0.5558 19 N7 NA B 17 16 14 1.31 114.00 -179.90 -0.5129 20 H7 H E 19 17 16 1.01 117.36 179.90 0.4077 21 C5 CB S 19 17 16 1.39 103.90 0.00 -0.0211 22 C6 C B 21 19 17 1.42 130.40 180.00 0.4299 23 O6 O E 22 21 19 1.23 128.80 0.00 -0.5500 24 N1 NA B 22 21 19 1.40 111.38 180.00 -0.4025 25 H1 H E 24 22 21 1.00 117.36 179.90 0.3266 26 C2 CA B 24 22 21 1.38 125.24 -0.10 0.7208 27 N2 N2 B 26 24 22 1.34 116.02 180.00 -0.9625 28 H21 H E 27 26 24 1.01 127.00 -0.82 0.4371 29 H22 H E 27 26 24 1.01 116.53 -179.44 0.4371 30 N3 NC S 26 24 22 1.33 123.30 0.00 -0.6118 31 C4 CB E 30 26 24 1.36 112.20 0.00 0.2108 32 C3' CT M 11 8 7 1.53 115.78 -329.11 0.0713 33 H3' H1 E 32 11 8 1.09 109.50 30.00 0.0985 34 C2' CT B 32 11 8 1.53 102.80 -86.30 -0.0854 35 H2'1 HC E 34 32 11 1.09 109.50 120.00 0.0718 36 H2'2 HC E 34 32 11 1.09 109.50 240.00 0.0718 37 O3' OS M 32 11 8 1.42 116.52 -203.47 -0.5232 IMPROPER C8 C4 N9 C1' C8 C5 N7 H7 C5 N1 C6 O6 C6 C2 N1 H1 C2 H21 N2 H22 N7 N9 C8 O8 N1 N3 C2 N2 LOOP CLOSING EXPLICIT C1' C2' C4 C5 C4 N9 DONE STOP