0 0 2 This is a remark line molecule.res HPH 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 -0.38408 5 H hn E 4 3 2 1.030 135.370 31.493 0.25384 6 CA c3 M 4 3 2 1.454 89.685 -103.444 0.09744 7 CB c3 3 6 4 3 1.537 108.624 103.162 -0.02808 8 CG ca S 7 6 4 1.510 111.826 -46.755 -0.00881 9 CD1 ca B 8 7 6 1.391 119.744 -72.150 -0.14988 10 CE1 ca B 9 8 7 1.391 119.107 177.739 -0.15146 11 CZ ca B 10 9 8 1.385 120.032 -0.194 -0.11304 12 CE2 ca B 11 10 9 1.392 120.370 0.316 -0.15146 13 CD2 ca S 12 11 10 1.382 120.297 -0.293 -0.14988 14 HD2 ha E 13 12 11 1.090 120.484 -179.843 0.13130 15 HE2 ha E 12 11 10 1.090 119.830 179.711 0.13203 16 HZ ha E 11 10 9 1.090 119.816 -179.655 0.11785 17 HE1 ha E 10 9 8 1.090 120.010 179.811 0.13203 18 HD1 ha E 9 8 7 1.090 120.459 -2.256 0.13130 19 HB1 hc E 7 6 4 1.091 111.811 -166.753 0.05743 20 HB2 hc E 7 6 4 1.090 111.806 73.234 0.05743 21 HA h1 E 6 4 3 1.090 111.638 -17.223 0.10137 22 C c3 M 6 4 3 1.543 107.226 -134.373 0.13871 23 O oh S 22 6 4 1.422 106.918 -74.589 -0.66574 24 HO ho E 23 22 6 1.030 109.496 134.492 0.40394 25 HC h1 E 22 6 4 1.089 111.901 42.155 0.04778 LOOP CD2 CG IMPROPER CB CD2 CG CD1 CG CE1 CD1 HD1 CZ CD1 CE1 HE1 CE2 CE1 CZ HZ CZ CD2 CE2 HE2 CE2 CG CD2 HD2 DONE STOP