1 0 2 dmc.dat D-5-METHYL-CYTOSINE - with 5' - phosphate group and 3' - O(minus) group DMC 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 -0.0116 15 H1' H2 E 14 13 11 1.09 109.50 -240.00 0.1963 16 N1 N* S 14 13 11 1.49 108.10 -127.70 -0.0888 17 C6 CM B 16 14 13 1.36 121.10 81.59 -0.082693 18 H6 H4 E 17 16 14 1.08 120.00 0.00 0.231353 19 C5 CM B 17 16 14 1.36 121.00 180.00 -0.157695 20 C7 CT 3 19 17 16 1.50 121.63 180.00 -0.310870 21 H71 HC E 20 19 17 1.09 109.50 60.00 0.097824 22 H72 HC E 20 19 17 1.09 109.50 180.00 0.097824 23 H73 HC E 20 19 17 1.09 109.50 300.00 0.097824 24 C4 CA B 19 17 16 1.43 116.90 0.00 0.80698 25 N4 N2 B 24 19 17 1.32 120.10 180.00 -0.976814 26 H41 H E 25 24 19 1.01 117.70 180.00 0.428276 27 H42 H E 25 24 19 1.01 120.27 0.00 0.428276 28 N3 NC S 24 19 17 1.33 121.70 0.00 -0.794899 29 C2 C S 28 24 19 1.36 120.50 0.00 0.827845 30 O2 O E 29 28 24 1.24 122.40 180.00 -0.667531 31 C3' CT M 11 8 7 1.53 115.78 -329.11 0.0713 32 H3' H1 E 31 11 8 1.09 109.50 30.00 0.0985 33 C2' CT B 31 11 8 1.53 102.80 -86.30 -0.0854 34 H2'1 HC E 33 31 11 1.09 109.50 120.00 0.0718 32 H2'2 HC E 33 31 11 1.09 109.50 240.00 0.0718 33 O3' OS M 31 11 8 1.42 116.52 -203.47 -0.5232 IMPROPER C6 C2 N1 C1' N1 N3 C2 O2 C4 H41 N4 H42 N1 C5 C6 H6 C4 C6 C5 C7 N3 C5 C4 N4 LOOP CLOSING EXPLICIT C1' C2' C2 N1 DONE STOP