0 0 2 This is a remark line molecule.res RA3 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 O1P o M 3 2 1 1.540 111.208 180.000 -0.74783 5 P p4 M 4 3 2 1.480 104.921 -24.988 1.67062 6 O2P o E 5 4 3 1.481 117.228 121.704 -0.70420 7 O5* os M 5 4 3 1.600 105.493 -112.501 -0.53550 8 C5* c3 M 7 5 4 1.440 119.000 75.027 0.16045 9 H5*1 h1 E 8 7 5 1.090 109.467 60.055 0.05075 10 H5*2 h1 E 8 7 5 1.090 109.498 -59.942 0.05960 11 C4* c3 M 8 7 5 1.528 110.381 -175.369 0.10268 12 H4* h1 E 11 8 7 1.090 107.992 122.258 0.08210 13 C3* c3 3 11 8 7 1.531 111.529 4.268 -0.00844 14 H3* h1 E 13 11 8 1.090 111.152 84.468 0.09249 15 C2* c3 B 13 11 8 1.521 99.983 -156.517 0.41407 16 H2*1 h1 E 15 13 11 1.090 111.914 159.468 -0.03158 17 O2* o E 15 13 11 1.411 111.455 -74.925 -0.78454 18 O35 os E 13 11 8 1.514 111.481 -39.022 -0.40266 19 O4* os M 11 8 7 1.418 114.396 -118.840 -0.40417 20 C1* c3 M 19 11 8 1.410 106.479 128.539 0.11137 21 H1* h2 E 20 19 11 1.089 114.003 151.822 0.10808 22 N9 na M 20 19 11 1.457 103.895 -84.841 -0.26351 23 C8 cc M 22 20 19 1.355 125.019 76.814 0.61908 24 N7 nd M 23 22 20 1.303 115.220 178.386 -0.61016 25 C5 ca M 24 23 22 1.398 102.450 0.507 -0.19815 26 C6 ca M 25 24 23 1.404 132.614 179.157 0.69850 27 N6 nh B 26 25 24 1.339 123.338 -0.883 -0.93449 28 H61 hn E 27 26 25 1.010 120.030 -179.354 0.40263 29 H62 hn E 27 26 25 1.011 119.942 -0.198 0.42228 30 N1 nb M 26 25 24 1.341 117.546 179.495 -0.79742 31 C2 ca M 30 26 25 1.326 119.430 0.189 0.64485 32 H2 h5 E 31 30 26 1.080 115.408 -179.898 0.03234 33 N3 nb M 31 30 26 1.323 129.113 0.301 -0.71214 34 C4 ca M 33 31 30 1.351 110.057 -0.301 0.46291 LOOP C1* C2* C8 O35 C4 N9 C4 C5 IMPROPER C1* C4 N9 C8 N9 N7 C8 O35 C6 C4 C5 N7 C5 N1 C6 N6 C6 H61 N6 H62 H2 N1 C2 N3 C5 N9 C4 N3 DONE STOP