0 0 2 This is a remark line molecule.res NTC 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 C4 c3 M 3 2 1 1.540 111.208 180.000 0.43852 5 C5 c3 3 4 3 2 1.540 60.164 -173.508 -0.60902 6 H5 hc E 5 4 3 1.090 109.506 97.743 0.16914 7 H6 hc E 5 4 3 1.090 109.488 -142.283 0.16914 8 H7 hc E 5 4 3 1.090 109.518 -22.289 0.16914 9 C6 c3 3 4 3 2 1.386 154.711 -99.430 -0.60902 10 H8 hc E 9 4 3 1.089 109.520 -2.805 0.16914 11 H9 hc E 9 4 3 1.091 109.504 117.209 0.16914 12 H10 hc E 9 4 3 1.090 109.499 -122.819 0.16914 13 C7 c3 3 4 3 2 1.466 57.819 -38.818 -0.60902 14 H11 hc E 13 4 3 1.090 109.511 -103.357 0.16914 15 H12 hc E 13 4 3 1.090 109.501 16.650 0.16914 16 H13 hc E 13 4 3 1.090 109.484 136.667 0.16914 17 N2 n M 4 3 2 1.428 91.926 77.989 -0.39304 18 H4 hn E 17 4 3 1.030 114.826 68.427 0.25584 19 C3 c M 17 4 3 1.319 130.352 -111.575 0.58894 20 O1 o E 19 17 4 1.224 122.686 4.298 -0.58547 LOOP IMPROPER +M N2 C3 O1 DONE STOP