0 0 2 --THYMINE PNA - with 5' - NH and 3' - O TPN.dat TPN INT 0 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 N N M 3 2 1 1.60 119.04 200.00 -0.4491 5 H H E 4 3 2 1.48 109.61 150.00 0.2642 6 CD CT M 4 3 2 1.48 109.58 20.00 0.0838 7 HD1 H1 E 6 4 3 1.60 101.43 -98.89 0.0390 8 HD2 H1 E 6 4 3 1.44 119.00 -39.22 0.0390 9 CG CT M 6 4 3 1.09 109.50 -60.00 0.0179 10 HG1 H1 E 9 6 4 1.09 109.50 60.00 0.0170 11 HG2 H1 E 9 6 4 1.52 110.00 180.00 0.0170 12 NB N M 9 6 4 1.09 109.50 -200.00 0.0130 13 CE C B 12 9 6 1.46 108.86 -86.31 0.4781 14 OE O E 13 12 9 1.42 110.04 105.60 -0.5264 15 CF CT 3 13 12 9 1.09 109.50 -240.00 0.0601 16 HF1 H1 E 15 13 12 1.49 108.10 -127.70 0.0656 17 HF2 H1 E 15 13 12 1.36 121.10 81.59 0.0656 18 N1 N* S 15 13 12 1.08 120.00 0.00 -0.1028 19 C6 CM B 18 15 13 1.36 121.00 180.00 -0.2579 20 H6 H4 E 19 18 15 1.09 120.00 180.00 0.2071 21 C5 CM B 19 18 15 1.43 116.90 0.00 0.0688 22 C7 CT 3 21 19 18 1.32 120.10 180.00 -0.2371 23 H71 HC E 22 21 19 1.01 117.70 60.00 0.0829 24 H72 HC E 22 21 19 1.01 117.70 180.00 0.0829 25 H73 HC E 22 21 19 1.01 117.70 240.00 0.0829 26 C4 C B 21 19 18 1.01 120.27 180.00 0.5083 27 O4 O E 26 21 19 1.33 121.70 0.00 -0.5290 28 N3 NA B 26 21 19 1.24 122.40 180.00 -0.4279 29 H3 H E 28 26 21 1.00 120.00 180.00 0.3514 30 C2 C S 28 26 21 1.53 115.78 -329.11 0.5749 31 O2 O E 30 28 26 1.09 109.50 30.00 -0.5841 32 CA CT M 12 9 6 1.53 102.80 -86.30 -0.5612 33 HA1 H1 E 32 12 9 1.09 109.50 -200.00 0.2176 34 HA2 H1 E 32 12 9 1.09 109.50 -320.00 0.2176 35 C C M 32 12 9 1.42 116.52 -203.47 0.6924 36 O O E 35 32 12 1.23 122.00 177.00 -0.5710 IMPROPER N1 N3 C2 O2 N1 C5 C6 H6 C6 C4 C5 C7 N3 C5 C4 O4 C2 C4 N3 H3 C6 C2 N1 CF CE CG NB CA CF NB CE OE -M CD N H CA +M C O LOOP CLOSING EXPLICIT C2 N1 DONE STOP