0 0 2 This is a remark line CH4.res CH4 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 0.995 75.511 -71.358 0.271900 6 CA CT M 4 3 2 1.458 57.477 151.642 0.013027 7 HA H1 E 6 4 3 1.080 106.536 -106.248 0.067113 8 CB CT 3 6 4 3 1.528 109.984 12.727 -0.042699 9 HB2 HC E 8 6 4 1.084 107.306 -49.290 0.029697 10 HB3 HC E 8 6 4 1.086 108.939 67.175 0.029697 11 CG CT 3 8 6 4 1.532 113.017 -171.023 -0.028483 12 HG2 HC E 11 8 6 1.084 108.876 -56.212 0.007333 13 HG3 HC E 11 8 6 1.089 109.309 60.172 0.007333 14 CD CT 3 11 8 6 1.533 114.021 -177.296 0.008053 15 HD2 HC E 14 11 8 1.088 109.155 57.417 0.015302 16 HD3 HC E 14 11 8 1.087 108.136 172.384 0.015302 17 CE CT 3 14 11 8 1.531 115.094 -66.073 0.015771 18 HE2 HC E 17 14 11 1.088 109.271 -54.020 0.002818 19 HE3 HC E 17 14 11 1.087 110.152 62.486 0.002818 20 CZ CT 3 17 14 11 1.529 112.550 -175.739 -0.059376 21 HZ1 HC E 20 17 14 1.086 111.173 60.130 0.010231 22 HZ2 HC E 20 17 14 1.086 111.221 -179.860 0.010231 23 HZ3 HC E 20 17 14 1.086 111.117 -59.782 0.010231 24 C C M 6 4 3 1.536 108.838 136.140 0.597300 25 O O E 24 6 4 1.203 121.931 -96.007 -0.567900 LOOP IMPROPER -M CA N H CA +M C O DONE STOP