0 0 2 This is a remark line molecule.res TAB 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 N2 N1 M 3 2 1 1.540 111.208 180.000 -0.21550 5 C5 CZ M 4 3 2 1.158 58.616 41.268 -0.06519 6 P P M 5 4 3 1.400 179.971 -107.367 1.67654 7 O3 O2 E 6 5 4 1.490 109.476 167.238 -0.85168 8 N1 NT B 6 5 4 1.834 109.232 -73.216 -0.90524 9 C2 CT 3 8 6 5 1.478 110.488 57.491 0.20821 10 H6 H1 E 9 8 6 1.100 109.482 -59.991 0.04142 11 H5 H1 E 9 8 6 1.100 109.466 59.976 0.03996 12 H4 H1 E 9 8 6 1.100 109.481 -179.985 0.03617 13 C1 CT 3 8 6 5 1.477 111.131 -175.152 0.19400 14 H3 H1 E 13 8 6 1.100 109.476 -60.013 0.03299 15 H2 H1 E 13 8 6 1.100 109.460 60.002 0.08073 16 H1 H1 E 13 8 6 1.100 109.473 179.989 0.03443 17 O2 OS M 6 5 4 1.597 109.246 47.648 -0.60151 18 C3 CT M 17 6 5 1.439 121.585 179.576 0.16456 19 H8 H1 E 18 17 6 1.100 109.248 59.662 0.02044 20 H7 H1 E 18 17 6 1.099 109.257 -60.089 0.06930 21 C4 CT M 18 17 6 1.546 110.332 179.775 -0.09593 22 H11 HC E 21 18 17 1.100 109.477 -60.025 0.04526 23 H10 HC E 21 18 17 1.100 109.479 60.014 0.04860 24 H9 HC E 21 18 17 1.100 109.489 179.993 0.04246 LOOP IMPROPER DONE STOP