0 0 2 This is a remark line CC4.res CC4 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 N N M 3 2 1 1.540 111.208 180.000 -0.415700 5 H H E 4 3 2 0.996 93.626 -89.539 0.271900 6 CA CT M 4 3 2 1.449 59.622 151.795 -0.026261 7 HA H1 E 6 4 3 1.078 106.510 -104.875 0.104302 8 CB CT 3 6 4 3 1.533 110.740 14.513 -0.007294 9 HB2 HC E 8 6 4 1.084 106.902 -54.197 0.016537 10 HB3 HC E 8 6 4 1.086 108.602 61.438 0.016537 11 CG CT 3 8 6 4 1.531 113.413 -176.336 -0.003667 12 HG2 HC E 11 8 6 1.087 109.221 -56.799 -0.010205 13 HG3 HC E 11 8 6 1.089 109.444 59.300 -0.010205 14 CD CT 3 11 8 6 1.535 114.281 -177.856 0.004631 15 HD2 HC E 14 11 8 1.087 108.601 56.807 0.017963 16 HD3 HC E 14 11 8 1.085 107.674 171.604 0.017963 17 CE CT 3 14 11 8 1.533 113.923 -66.487 -0.044496 18 HE2 HC E 17 14 11 1.090 108.401 -51.749 0.013035 19 HE3 HC E 17 14 11 1.087 109.173 63.269 0.013035 20 CZ CT 3 17 14 11 1.547 117.096 -174.206 0.115669 21 CM1 CT 3 20 17 14 1.536 111.063 -59.521 -0.053490 22 HM1 HC E 21 20 17 1.086 111.193 -55.156 0.006370 23 HM2 HC E 21 20 17 1.087 110.597 -174.712 0.006370 24 HM3 HC E 21 20 17 1.085 111.916 65.603 0.006370 25 CM2 CT 3 20 17 14 1.537 107.724 -178.474 -0.053490 26 HM4 HC E 25 20 17 1.087 111.190 -59.771 0.006370 27 HM5 HC E 25 20 17 1.086 111.038 -179.750 0.006370 28 HM6 HC E 25 20 17 1.086 111.216 60.298 0.006370 29 CM3 CT 3 20 17 14 1.537 111.255 62.693 -0.053490 30 HM7 HC E 29 20 17 1.085 112.101 -65.713 0.006370 31 HM8 HC E 29 20 17 1.086 110.562 174.693 0.006370 32 HM9 HC E 29 20 17 1.086 111.200 55.200 0.006370 33 C C M 6 4 3 1.529 107.724 135.971 0.597300 34 O O E 33 6 4 1.205 120.446 -60.915 -0.567900 LOOP IMPROPER -M CA N H CA +M C O DONE STOP