1 0 2 di.dat D-INOSINE - with 5' - phosphate group and 3' - O(minus) group DI 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' CI 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 -0.009401 17 C8 CK B 16 14 13 1.38 129.20 81.59 0.07763 18 H8 H5 E 17 16 14 1.08 120.00 0.00 0.211563 19 N7 NB S 17 16 14 1.31 114.00 -179.90 -0.53829 20 C5 CB S 19 17 16 1.39 103.90 0.00 0.049936 21 C6 C B 20 19 17 1.42 130.40 180.00 0.586826 22 O6 O E 21 20 19 1.23 128.80 0.00 -0.581501 23 N1 NA B 21 20 19 1.40 111.38 180.00 -0.497411 24 H1 H E 23 21 20 1.00 117.36 179.90 0.331128 25 C2 CA B 23 21 20 1.33 118.80 0.00 0.421687 26 H2 H5 E 25 23 21 1.08 120.00 180.00 0.144911 27 N3 NC S 25 23 21 1.33 123.30 0.00 -0.715215 28 C4 CB E 27 25 23 1.36 112.20 0.00 0.429337 29 C3' CT M 11 8 7 1.53 115.78 -329.11 0.0713 30 H3' H1 E 29 11 8 1.09 109.50 30.00 0.0985 31 C2' CT B 29 11 8 1.53 102.80 -86.30 -0.0854 32 H2'1 HC E 31 29 11 1.09 109.50 120.00 0.0718 33 H2'2 HC E 31 29 11 1.09 109.50 240.00 0.0718 34 O3' OS M 29 11 8 1.42 116.52 -203.47 -0.5232 IMPROPER C8 C4 N9 C1' C5 N1 C6 O6 C6 C2 N1 H1 N7 N9 C8 H8 N1 N3 C2 H2 LOOP CLOSING EXPLICIT C1' C2' C4 C5 C4 N9 DONE STOP