0 0 2 This is a remark line molecule.res ABI 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 N1 nh M 3 2 1 1.540 111.208 180.000 -0.813700 5 HH1 hn E 4 3 2 1.010 105.684 -174.037 0.392300 6 H1 hn E 4 3 2 1.010 106.743 -45.251 0.382500 7 C7 c2 M 4 3 2 1.296 56.090 70.049 0.261300 8 N2 nh B 7 4 3 1.305 121.620 -90.536 -0.815200 9 H5 hn E 8 7 4 1.010 120.022 179.820 0.394100 10 H7 hn E 8 7 4 1.010 119.982 -0.172 0.383700 11 C1 ce M 7 4 3 1.387 119.376 89.284 -0.214900 12 C2 c3 3 11 7 4 1.428 122.525 167.799 0.021600 13 HH2 hc E 12 11 7 1.090 106.160 57.135 0.051900 14 H2 hc E 12 11 7 1.090 106.135 -59.262 0.037100 15 C3 c2 S 12 11 7 1.415 122.458 178.925 -0.122900 16 H3 ha E 15 12 11 1.080 121.704 179.985 0.141700 17 C6 ce M 11 7 4 1.407 120.151 -13.534 -0.093800 18 H6 ha E 17 11 7 1.080 120.935 0.988 0.122400 19 C5 cd M 17 11 7 1.371 118.104 -179.002 -0.152500 20 C4 cd M 19 17 11 1.354 123.825 0.138 0.272200 21 N3 nd M 20 19 17 1.302 108.955 -179.530 -0.668900 22 C8 cc M 21 20 19 1.327 105.205 0.173 0.469700 23 H8 h5 E 22 21 20 1.080 124.823 -179.907 0.053500 24 N4 na M 22 21 20 1.300 110.388 0.082 -0.362100 25 H4 hn E 24 22 21 1.010 125.909 179.656 0.260100 LOOP C4 C3 N4 C5 IMPROPER C1 N1 C7 N2 C7 C2 C1 C6 C2 C4 C3 H3 C5 C1 C6 H6 C4 C6 C5 N4 C3 C5 C4 N3 H8 N4 C8 N3 C8 C5 N4 H4 DONE STOP