0 0 2 This is a remark line molecule.res Nva 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 O o M 3 2 1 1.540 111.208 180.000 -0.48252 5 C1 c M 4 3 2 1.224 10.493 -0.000 1.00234 6 O1 o E 5 4 3 1.270 120.035 0.000 -0.46917 7 C c3 M 5 4 3 1.524 119.998 -180.000 0.05939 8 H h1 E 7 5 4 1.090 109.470 60.003 0.04937 9 H1 h1 E 7 5 4 1.090 109.470 -60.003 0.10434 10 N n2 M 7 5 4 1.437 109.505 180.000 -0.50352 11 C2 c3 M 10 7 5 1.437 120.027 -180.000 0.14245 12 C4 c3 3 11 10 7 1.523 109.550 180.000 -0.07935 13 H6 hc E 12 11 10 1.090 109.479 59.970 0.03852 14 H7 hc E 12 11 10 1.090 109.523 -180.000 0.03241 15 H8 hc E 12 11 10 1.090 109.479 -59.970 0.04761 16 H2 h1 E 11 10 7 1.090 109.485 59.996 0.05993 17 C3 c3 M 11 10 7 1.524 109.489 -59.975 -0.12054 18 H3 hc E 17 11 10 1.090 109.534 59.966 0.03506 19 H4 hc E 17 11 10 1.090 109.503 179.975 0.04237 20 H5 hc E 17 11 10 1.090 109.501 -60.020 0.04131 LOOP IMPROPER C O C1 O1 DONE STOP