0 0 2 This is a remark line molecule.res NTB XYZ 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 -0.42730 5 H hn E 4 3 2 1.030 133.101 -158.722 0.28609 6 C c3 M 4 3 2 1.451 74.527 -45.609 0.36116 7 C2 c3 3 6 4 3 1.506 111.149 -15.853 -0.54171 8 H21 hc E 7 6 4 1.090 109.526 -179.999 0.15613 9 H22 hc E 7 6 4 1.090 109.489 -60.032 0.15613 10 H23 hc E 7 6 4 1.090 109.495 59.989 0.15613 11 C3 c3 3 6 4 3 1.530 112.163 109.373 -0.54171 12 H31 hc E 11 6 4 1.090 109.504 -179.981 0.15613 13 H32 hc E 11 6 4 1.090 109.515 -60.016 0.15613 14 H33 hc E 11 6 4 1.090 109.487 60.015 0.15613 15 C1 c3 M 6 4 3 1.506 105.892 -131.765 -0.54171 16 H11 hc E 15 6 4 1.090 109.526 179.988 0.15613 17 H12 hc E 15 6 4 1.090 109.524 -60.010 0.15613 18 H13 hc E 15 6 4 1.090 109.526 59.987 0.15613 LOOP IMPROPER DONE STOP