0 0 2 This is a remark line molecule.res ETN XYZ 0 CHANGE OMIT DU BEG 0.0000 1 DUMM DU M 999.000 999.0 -999.0 .00000 2 DUMM DU M 999.000 -999.0 999.0 .00000 3 DUMM DU M -999.000 999.0 999.0 .00000 4 C1 c3 M 0.000000 0.000000 -0.775000 .00000 5 H1 hc E -0.873651 0.504402 -1.131666 .00000 6 H2 hc E 0.873651 0.504403 -1.131666 .00000 7 H3 hc E 0.000000 -1.008805 -1.131666 .00000 8 C2 c3 M 0.000000 0.000000 0.765000 .00000 9 H4 hc E 0.873651 -0.504402 1.121666 .00000 10 H5 hc E -0.873651 -0.504403 1.121666 .00000 11 H6 hd M -0.000000 1.451926 1.278332 .00000 12 D1 DH E -0.000001 1.451926 2.348332 .00000 13 D2 DH E 0.873650 1.956328 0.921666 .00000 14 D3 DH E -0.873652 1.956328 0.921665 .00000 LOOP IMPROPER DONE STOP