0 0 2 This is a remark line molecule.res RA5 INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 O2* o M 3 2 1 1.540 111.208 180.000 -0.78229 5 C2* c3 M 4 3 2 1.410 102.995 31.515 0.41827 6 H2*1 h1 E 5 4 3 1.091 111.584 -150.927 -0.03735 7 C1* c3 M 5 4 3 1.523 111.025 -25.029 0.10885 8 H1* h2 E 7 5 4 1.090 113.985 -52.324 0.10728 9 O4* os M 7 5 4 1.412 106.649 74.271 -0.41477 10 C4* c3 M 9 7 5 1.421 106.834 24.023 0.08237 11 C5* c3 3 10 9 7 1.526 113.331 129.921 0.12183 12 O5* oh S 11 10 9 1.440 109.391 -117.959 -0.61706 13 H5T ho E 12 11 10 0.960 118.995 -178.790 0.40899 14 H5*1 h1 E 11 10 9 1.089 110.470 2.623 0.03629 15 H5*2 h1 E 11 10 9 1.090 108.534 122.659 0.05660 16 H4* h1 E 10 9 7 1.089 107.192 -110.747 0.08022 17 C3* c3 M 10 9 7 1.532 107.606 4.874 -0.01053 18 H3* h1 E 17 10 9 1.090 110.905 -149.790 0.09256 19 O32 os M 17 10 9 1.515 112.678 86.172 -0.39614 20 C8 cc M 19 17 10 1.404 110.827 -69.031 0.62540 21 N7 nd E 20 19 17 1.303 124.013 -178.903 -0.60707 22 N9 na M 20 19 17 1.355 120.708 -0.420 -0.27298 23 C4 ca M 22 20 19 1.372 105.476 -178.514 0.45775 24 C5 ca M 23 22 20 1.372 105.859 0.281 -0.19820 25 C6 ca M 24 23 22 1.405 116.427 178.508 0.68501 26 N6 nh B 25 24 23 1.340 123.567 -178.215 -0.92708 27 H61 hn E 26 25 24 1.011 119.937 178.810 0.39628 28 H62 hn E 26 25 24 1.009 120.003 0.276 0.41620 29 N1 nb M 25 24 23 1.341 117.545 0.853 -0.79400 30 C2 ca M 29 25 24 1.325 119.469 -0.345 0.64012 31 H2 h5 E 30 29 25 1.080 115.506 179.920 0.03223 32 N3 nb M 30 29 25 1.324 129.105 -0.428 -0.70879 LOOP C3* C2* N9 C1* C5 N7 N3 C4 IMPROPER N9 N7 C8 O32 C1* C4 N9 C8 C5 N9 C4 N3 C4 C6 C5 N7 C5 N1 C6 N6 C6 H61 N6 H62 H2 N1 C2 N3 DONE STOP