0 0 2 This is a remark line PPA.res PPA 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 1.523 111.21 .0 .00000 4 C1 ca M 3 2 1 1.540 111.208 -180.000 -0.102818 5 H1 ha E 4 3 2 1.076 58.812 -1.059 0.154519 6 C2 ca M 4 3 2 1.383 178.572 -16.857 -0.164269 7 H2 ha E 6 4 3 1.075 119.936 15.614 0.145195 8 C3 ca M 6 4 3 1.390 119.910 -164.385 -0.094349 9 H3 ha E 8 6 4 1.075 119.785 179.989 0.139668 10 C4 ca M 8 6 4 1.385 120.249 0.043 -0.164269 11 H4 ha E 10 8 6 1.075 120.154 179.987 0.145195 12 C5 ca M 10 8 6 1.389 119.959 -0.039 -0.102818 13 H5 ha E 12 10 8 1.075 120.485 -179.953 0.154519 14 C6 ca M 12 10 8 1.390 119.998 -0.052 -0.107243 15 P1 py M 14 12 10 1.791 118.609 179.681 1.165814 16 O2 o E 15 14 12 1.458 115.033 -2.659 -0.759810 17 O3 oh S 15 14 12 1.598 107.014 -128.520 -0.618873 18 H7 ho E 17 15 14 0.947 112.901 104.185 0.414206 19 O1 oh M 15 14 12 1.585 102.758 125.143 -0.618873 20 H6 ho E 19 15 14 0.947 114.824 -174.134 0.414206 LOOP C6 C1 IMPROPER C6 C2 C1 H1 C1 C3 C2 H2 C2 C4 C3 H3 C5 C3 C4 H4 C6 C4 C5 H5 C5 C1 C6 P1 DONE STOP