1 0 2 daa.dat D-2-AMINO-ADENOSINE - with 5' - phosphate group and 3' - O(minus) group DAA 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 0.0431 15 H1' H2 E 14 13 11 1.09 109.50 -240.00 0.1838 16 N9 N* S 14 13 11 1.52 109.59 -127.70 0.025808 17 C8 CK B 16 14 13 1.37 131.20 81.59 0.118767 18 H8 H5 E 17 16 14 1.08 120.00 0.00 0.189502 19 N7 NB S 17 16 14 1.30 113.93 177.00 -0.648666 20 C5 CB S 19 17 16 1.39 104.00 0.00 0.32085 21 C6 CA B 20 19 17 1.40 132.42 180.00 0.399885 22 N6 N2 B 21 20 19 1.34 123.50 0.00 -0.828851 23 H61 H E 22 21 20 1.01 120.00 180.00 0.408105 24 H62 H E 22 21 20 1.01 120.00 0.00 0.408105 25 N1 NC S 21 20 19 1.34 117.43 180.00 -0.662095 26 C2 CA B 25 21 20 1.33 118.80 0.00 0.82052 27 N2 N2 B 26 25 21 1.34 116.02 180.00 -0.898822 28 H21 H E 27 26 25 1.01 127.00 -0.82 0.382157 29 H22 H E 27 26 25 1.01 116.53 -179.44 0.382157 30 N3 NC S 26 25 21 1.32 129.17 0.00 -0.669702 31 C4 CB E 30 26 25 1.35 110.80 0.00 0.14698 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' C6 H61 N6 H62 N7 N9 C8 H8 N1 N3 C2 N2 C5 N1 C6 N6 C2 H21 N2 H22 LOOP CLOSING EXPLICIT C1' C2' C4 C5 C4 N9 DONE STOP