0 0 2 This is a remark line molecule.res DIQ 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 CM c3 M 3 2 1 1.540 111.208 180.000 0.32569 5 HM1 h1 E 4 3 2 1.089 147.718 -153.787 -0.01250 6 HM2 h1 E 4 3 2 1.090 77.066 -53.766 -0.01250 7 N1 n3 M 4 3 2 1.461 44.455 176.134 -0.47130 8 C8 c3 3 7 4 3 1.458 106.013 -154.779 -0.03070 9 C7A c3 B 8 7 4 1.520 113.763 178.472 0.00593 10 C3A c3 3 9 8 7 1.572 108.983 53.993 -0.01271 11 C3 c3 B 10 9 8 1.509 110.097 -52.536 -0.18133 12 H31 hc E 11 10 9 1.090 108.061 177.602 0.11501 13 H32 hc E 11 10 9 1.090 108.069 -65.699 0.11501 14 C4 c3 3 10 9 8 1.517 110.743 -173.112 -0.04261 15 C5 c3 3 14 10 9 1.522 112.907 48.231 0.06812 16 C6 c3 3 15 14 10 1.517 111.006 -56.763 -0.00312 17 C7 c3 B 16 15 14 1.513 106.836 63.046 0.04932 18 H71 hc E 17 16 15 1.090 110.221 175.606 -0.00199 19 H72 hc E 17 16 15 1.090 110.248 55.626 -0.00199 20 H61 hc E 16 15 14 1.090 106.864 -56.962 -0.01227 21 H62 hc E 16 15 14 1.090 106.816 -176.933 -0.01227 22 H51 hc E 15 14 10 1.090 111.031 -176.750 -0.00344 23 H52 hc E 15 14 10 1.090 111.013 63.217 -0.00344 24 H41 hc E 14 10 9 1.090 112.908 -71.757 -0.00230 25 H42 hc E 14 10 9 1.090 112.879 168.223 -0.00230 26 H3A hc E 10 9 8 1.090 108.050 66.362 0.03362 27 H7A hc E 9 8 7 1.090 105.568 173.890 0.03898 28 H81 h1 E 8 7 4 1.089 113.764 58.481 0.03303 29 H82 h1 E 8 7 4 1.090 113.747 -61.513 0.03303 30 C2 c3 M 7 4 3 1.472 113.353 82.941 -0.07621 31 H2 h1 E 30 7 4 1.090 107.585 60.004 0.09357 32 C c M 30 7 4 1.523 117.213 -59.972 0.48103 33 O o E 32 30 7 1.231 119.469 -51.652 -0.50936 LOOP C7 C7A C2 C3 IMPROPER +M C2 C O DONE STOP