0 0 2 This is a remark line M3L.res M3L 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 -0.347900 5 H H E 4 3 2 0.997 96.795 -93.879 0.274700 6 CA CT M 4 3 2 1.447 60.715 150.064 -0.203941 7 HA H1 E 6 4 3 1.079 106.733 -107.829 0.178693 8 CB CT 3 6 4 3 1.533 110.122 11.576 -0.073788 9 HB2 HC E 8 6 4 1.086 106.660 -53.917 0.030347 10 HB3 HC E 8 6 4 1.085 108.240 61.650 0.030347 11 CG CT 3 8 6 4 1.532 113.340 -176.377 0.005782 12 HG2 HC E 11 8 6 1.084 109.613 -52.998 -0.002858 13 HG3 HC E 11 8 6 1.087 110.066 63.601 -0.002858 14 CD CT 3 11 8 6 1.537 114.284 -172.558 0.026942 15 HD2 HC E 14 11 8 1.084 108.672 56.968 0.046379 16 HD3 HC E 14 11 8 1.084 108.065 173.338 0.046379 17 CE CT 3 14 11 8 1.527 111.449 -65.320 -0.060740 18 HE2 HP E 17 14 11 1.081 110.354 -56.050 0.107161 19 HE3 HP E 17 14 11 1.080 110.802 63.661 0.107161 20 NZ N3 3 17 14 11 1.519 116.131 -176.252 -0.018658 21 CM1 CT 3 20 17 14 1.496 107.703 -178.657 -0.089046 22 HM1 HP E 21 20 17 1.079 109.144 -59.613 0.108810 23 HM2 HP E 21 20 17 1.079 109.154 -179.658 0.108810 24 HM3 HP E 21 20 17 1.079 109.117 60.430 0.108810 25 CM2 CT 3 20 17 14 1.495 111.366 62.547 -0.089046 26 HM4 HP E 25 20 17 1.077 109.758 -66.244 0.108810 27 HM5 HP E 25 20 17 1.080 108.743 174.096 0.108810 28 HM6 HP E 25 20 17 1.079 109.076 54.377 0.108810 29 CM3 CT 3 20 17 14 1.495 111.199 -59.751 -0.089046 30 HM7 HP E 29 20 17 1.080 109.023 -54.149 0.108810 31 HM8 HP E 29 20 17 1.079 108.772 -173.802 0.108810 32 HM9 HP E 29 20 17 1.077 109.676 66.350 0.108810 33 C C M 6 4 3 1.530 108.362 132.068 0.734100 34 O O E 33 6 4 1.204 119.629 -62.542 -0.589400 LOOP IMPROPER -M CA N H CA +M C O DONE STOP