0 0 2 --ADENINE PNA - with 5' - NH and 3' - O APN.dat APN INT 0 CHANGE 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 N N M -2.33 5.73 -0.16 -0.4491 5 H H E -1.69 6.42 -0.46 0.2642 6 CD CT M -2.55 4.61 -1.03 0.0838 7 HD1 H1 E -2.75 4.99 -2.07 0.0390 8 HD2 H1 E -3.46 4.06 -0.68 0.0390 9 CG CT M -1.35 3.63 -1.14 0.0179 10 HG1 H1 E -1.65 2.88 -1.93 0.0170 11 HG2 H1 E -0.46 4.20 -1.53 0.0170 12 NB N M -1.03 2.90 0.04 0.0130 13 CE C B 0.10 3.12 0.82 0.4781 14 OE O E 0.28 2.41 1.83 -0.5264 15 CF CT 3 1.04 4.23 0.37 0.1020 16 HF1 H1 E 0.49 5.20 0.55 0.0206 17 HF2 H1 E 1.27 4.08 -0.72 0.0206 18 N9 N* S 2.33 4.41 0.98 -0.0649 19 C8 CK B 3.15 5.48 0.50 0.0922 20 H8 H5 E 2.80 6.13 -0.2 0.1629 21 N7 NB S 4.33 5.58 1.12 -0.5291 22 C5 CB S 4.34 4.54 2.06 0.0471 23 C6 CA B 5.32 4.12 3.02 0.6615 24 N6 N2 B 6.51 4.79 3.13 -0.9272 25 H61 H E 7.19 4.51 3.79 0.4196 26 H62 H E 6.68 5.56 2.53 0.4196 27 N1 NC S 5.04 3.05 3.83 -0.6638 28 C2 CQ B 3.83 2.44 3.66 0.3876 29 H2 H5 E 3.65 1.58 4.34 0.0987 30 N3 NC S 2.82 2.72 2.81 -0.4870 31 C4 CB E 3.08 3.79 1.99 0.2504 32 CA CT M -1.98 1.92 0.49 -0.5612 33 HA1 H1 E -3.01 2.19 0.09 0.2176 34 HA2 H1 E -2.10 1.99 1.61 0.2176 35 C C M -1.74 0.46 0.11 0.6924 36 O O E -2.32 -0.4 0.75 -0.5710 IMPROPER C8 C4 N9 CF N7 N9 C8 H8 C5 N1 C6 N6 C6 H61 N6 H62 C6 H62 N6 H61 N1 N3 C2 H2 CE CG NB CA CF NB CE OE -M CD N H CA +M C O LOOP CLOSING EXPLICIT C4 C5 C4 N9 DONE STOP