0 0 2 This is a remark line molecule.res PAM 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 C1 c3 M 3 2 1 1.540 111.208 180.000 -0.08780 5 H14 hc E 4 3 2 1.000 34.406 44.355 0.04659 6 H16 hc E 4 3 2 1.000 96.890 158.991 0.04807 7 H18 hc E 4 3 2 1.001 84.783 -92.070 0.04032 8 C2 c3 M 4 3 2 1.551 142.605 23.598 0.13869 9 O7 oh S 8 4 3 1.430 107.415 -46.730 -0.60387 10 H38 ho E 9 8 4 1.000 109.488 179.983 0.39551 11 H20 h1 E 8 4 3 1.000 106.317 75.674 0.04246 12 C3 c3 M 8 4 3 1.589 115.695 -167.699 0.14328 13 H22 h1 E 12 8 4 1.000 107.400 54.846 0.04261 14 H24 h1 E 12 8 4 1.001 107.377 172.554 0.03273 15 N4 n3 M 12 8 4 1.515 117.589 -66.372 -0.75230 16 C6 c3 3 15 12 8 1.470 108.039 -166.481 0.16544 17 H32 h1 E 16 15 12 1.000 109.432 -179.972 0.04469 18 H34 h1 E 16 15 12 1.000 109.455 60.072 0.04139 19 H36 h1 E 16 15 12 1.000 109.491 -59.999 0.00419 20 C5 c3 M 15 12 8 1.481 114.602 74.347 0.16334 21 H26 h1 E 20 15 12 1.000 109.468 -179.981 0.04352 22 H28 h1 E 20 15 12 0.999 109.500 60.015 0.00487 23 H30 h1 E 20 15 12 1.000 109.485 -60.093 0.04630 LOOP IMPROPER DONE STOP