0 0 2 This is a remark line benzoamida.res BZA 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 ca M -1.675000 0.170000 -0.077000 0.008 5 C2 ca M -1.166000 1.452000 0.137000 -0.094 6 H2 ha E -1.840000 2.267000 0.363000 0.125 7 C3 ca M 0.192000 1.697000 0.047000 -0.160 8 H3 ha E 0.580000 2.697000 0.202000 0.138 9 C4 ca M 1.081000 0.668000 -0.249000 -0.127 10 C5 ca B 0.580000 -0.611000 -0.469000 -0.160 11 H5 ha E 1.254000 -1.421000 -0.717000 0.138 12 C6 ca S -0.780000 -0.854000 -0.385000 -0.094 13 H6 ha E -1.150000 -1.856000 -0.553000 0.125 14 C7 c M 2.566000 0.997000 -0.349000 0.840 15 O7 o E 2.983000 2.131000 -0.526000 -0.582 16 N8 n M 3.453000 -0.142000 -0.277000 -0.726 17 H8 hn E 3.160000 -0.802000 0.455000 0.347 18 C9 c3 M 4.883000 0.200000 -0.103000 0.082 19 H9A h1 E 5.225000 0.742000 -0.985000 0.063 20 H9B h1 E 5.047000 0.842000 0.768000 0.063 LOOP C6 C1 IMPROPER DONE STOP