0 0 2 R-ADENOSINE - with triphosphate linker atp.db94 atp INT 1 CORRECT OMIT DU BEG 0.0 1 DUMM DU M 0 0 0 1.000 90.000 180.000 0.000 2 DUMM DU M 1 0 0 0.967 90.000 180.000 0.000 3 DUMM DU M 2 1 0 0.967 109.443 180.000 0.000 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 1.749 97.280 164.349 -0.5987 17 C5* CT M 16 13 12 1.427 117.355 64.264 0.0558 18 H50 H1 E 17 16 13 1.059 109.461 103.970 0.0679 19 H51 H1 E 17 16 13 1.059 109.491 -16.065 0.0679 20 C4* CT M 17 16 13 1.446 107.888 -136.043 0.1065 21 H40 H1 E 20 17 16 1.059 106.572 -167.965 0.1174 22 O4* OS S 20 17 16 1.577 105.136 -48.024 -0.3548 23 C1* CT B 22 20 17 1.562 99.310 148.198 0.0394 24 H10 H2 E 23 22 20 1.059 104.667 127.006 0.2007 25 N9 N* S 23 22 20 1.651 99.707 -129.444 -0.0251 26 C8 CK B 25 23 22 1.400 121.683 69.274 0.2006 27 H80 H5 E 26 25 23 1.077 128.168 2.532 0.1553 28 N7 NB S 26 25 23 1.327 111.806 -177.463 -0.6073 29 C5 CB S 28 26 25 1.365 104.681 2.256 0.0515 30 C6 CA B 29 28 26 1.448 131.894 -177.019 0.7009 31 N6 N2 B 30 29 28 1.312 123.747 -3.485 -0.9019 32 H60 H E 31 30 29 1.000 120.000 176.690 0.4115 33 H61 H E 31 30 29 1.000 120.000 -3.310 0.4115 34 N1 NC S 30 29 28 1.362 114.694 173.408 -0.7615 35 C2 CQ B 34 30 29 1.370 122.869 5.034 0.5875 36 H2 H5 E 35 34 30 1.078 119.995 174.203 0.0473 37 N3 NC S 35 34 30 1.309 125.548 -5.799 -0.6997 38 C4 CB E 37 35 34 1.340 112.610 1.051 0.3053 39 C3* CT M 20 17 16 1.539 120.245 66.848 0.2022 40 H30 H1 E 39 20 17 1.059 109.025 -37.638 0.0615 41 O3* OH S 39 20 17 1.390 114.084 86.172 -0.6541 42 H3' HO E 41 39 20 0.967 109.487 -2.526 0.4376 43 C2* CT M 39 20 17 1.606 106.034 -155.382 0.0670 44 H20 H1 E 43 39 20 1.059 123.901 158.202 0.0972 45 O2* OH S 43 39 20 1.368 107.234 -72.414 -0.6139 46 H2' HO E 45 43 39 0.967 109.442 -16.862 0.4186 IMPROPER C8 C4 N9 C1* C6 H60 N6 H61 N7 N9 C8 H80 N1 N3 C2 H2 C5 N1 C6 N6 LOOP CLOSING EXPLICIT C1* C2* C4 C5 C4 N9 DONE STOP