0 0 2 R-GUANOSINE - with 5' - triphosphate group and 3' - OH group gtp.db94 gtp INT 1 CORRECT OMIT DU BEG 0.0 1 DUMM DU M 0 0 0 0.00 0.00 0.00 0.0000 2 DUMM DU M 1 0 0 1.00 0.00 0.00 0.0000 3 DUMM DU M 2 1 0 1.00 90.00 0.00 0.0000 4 O1G O3 M 3 2 1 1.086 160.811 148.238 -0.9526 5 PG P M 4 3 2 1.379 92.848 -159.681 1.2650 6 O2G O3 E 5 4 3 1.417 116.381 -173.072 -0.9526 7 O3G O3 E 5 4 3 1.443 104.744 40.954 -0.9526 8 O3B OS M 5 4 3 1.742 94.444 -63.733 -0.5322 9 PB P M 8 5 3 1.512 135.464 -125.176 1.3852 10 O1B O2 E 9 8 5 1.415 113.542 -28.935 -0.8894 11 O2B O2 E 9 8 5 1.617 103.881 -164.747 -0.8894 12 O3A OS M 9 8 5 1.734 96.237 83.499 -0.5689 13 PA P M 12 9 8 1.516 131.613 -127.461 1.2532 14 O1A O2 E 13 12 9 1.526 115.352 -92.892 -0.8799 15 O2A O2 E 13 12 9 1.410 109.213 53.806 -0.8799 16 O5' OS M 13 12 9 1.60 101.43 -98.89 -0.5987 17 C5' CT M 16 13 12 1.44 119.00 -39.22 0.0558 18 H5'1 H1 E 17 16 13 1.09 109.50 60.00 0.0679 19 H5'2 H1 E 17 16 13 1.09 109.50 -60.00 0.0679 20 C4' CT M 17 16 13 1.52 110.00 180.00 0.1065 21 H4' H1 E 20 17 16 1.09 109.50 -200.00 0.1174 22 O4' OS S 20 17 16 1.46 108.86 -86.31 -0.3548 23 C1' CT B 22 20 17 1.42 110.04 105.60 0.0191 24 H1' H2 E 23 22 20 1.09 109.50 -240.00 0.2006 25 N9 N* S 23 22 20 1.49 108.06 -127.70 0.0492 26 C8 CK B 25 23 22 1.38 129.20 81.59 0.1374 27 H8 H5 E 26 25 23 1.08 120.00 0.00 0.1640 28 N7 NB S 26 25 23 1.31 114.00 -179.90 -0.5709 29 C5 CB S 28 26 25 1.39 103.90 0.00 0.1744 30 C6 C B 29 28 26 1.42 130.40 180.00 0.4770 31 O6 O E 30 29 28 1.23 128.80 0.00 -0.5597 32 N1 NA B 30 29 28 1.40 111.38 180.00 -0.4787 33 H1 H E 32 30 29 1.00 117.36 179.90 0.3424 34 C2 CA B 32 30 29 1.38 125.24 -0.10 0.7657 35 N2 N2 B 34 32 30 1.34 116.02 180.00 -0.9672 36 H21 H E 35 34 32 1.01 127.00 -0.82 0.4364 37 H22 H E 35 34 32 1.01 116.53 -179.44 0.4364 38 N3 NC S 34 32 30 1.33 123.30 0.00 -0.6323 39 C4 CB E 38 34 32 1.36 112.20 0.00 0.1222 40 C3' CT M 20 17 16 1.53 115.78 -329.11 0.2022 41 O3' OH S 40 20 17 1.42 116.52 -203.47 -0.6541 42 H3T HO E 41 40 20 0.96 114.97 180.00 0.4376 43 H3' H1 E 40 20 17 1.09 109.50 5.00 0.0615 44 C2' CT M 40 20 17 1.53 102.80 -86.30 0.0670 45 H2'1 H1 E 44 40 20 1.09 109.50 120.00 0.0972 46 O2' OH S 44 40 20 1.43 109.50 240.00 -0.6139 47 HO'2 HO E 46 44 40 0.96 107.00 180.00 0.4186 IMPROPER C8 C4 N9 C1' C5 N1 C6 O6 C6 C2 N1 H1 C2 H21 N2 H22 N7 N9 C8 H8 N1 N3 C2 N2 LOOP CLOSING EXPLICIT C1' C2' C4 C5 C4 N9 DONE STOP