0 0 2 This is a remark line molecule.res IHP 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 O21 o M 3 2 1 1.540 111.208 180.000 -0.850000 5 P1 p5 M 4 3 2 1.490 51.868 -79.678 1.200000 6 O31 o E 5 4 3 1.490 113.913 -163.628 -0.850000 7 O41 oh S 5 4 3 1.601 119.692 73.517 -0.500000 8 H41 ho E 7 5 4 0.960 109.429 -40.573 0.350000 9 O11 os M 5 4 3 1.600 105.966 -42.720 -0.500000 10 C1 c3 M 9 5 4 1.422 127.250 -151.671 0.050000 11 H1 h1 E 10 9 5 1.069 115.070 11.645 0.100000 12 C2 c3 M 10 9 5 1.522 104.960 -108.972 0.050000 13 O12 os S 12 10 9 1.425 108.170 -55.830 -0.500000 14 P2 p5 3 13 12 10 1.600 128.864 97.423 1.200000 15 O22 o E 14 13 12 1.490 107.668 -126.980 -0.850000 16 O32 o E 14 13 12 1.490 109.056 -0.754 -0.850000 17 O42 oh S 14 13 12 1.600 102.507 112.545 -0.500000 18 H42 ho E 17 14 13 0.960 109.420 124.358 0.350000 19 H2 h1 E 12 10 9 1.071 109.233 67.111 0.100000 20 C3 c3 M 12 10 9 1.515 109.491 -170.713 0.050000 21 O13 os S 20 12 10 1.417 105.711 178.083 -0.500000 22 P3 p5 3 21 20 12 1.600 122.082 85.995 1.200000 23 O23 o E 22 21 20 1.490 117.470 -54.964 -0.850000 24 O33 oh S 22 21 20 1.600 106.141 176.663 -0.500000 25 H33 ho E 24 22 21 0.960 109.498 33.437 0.350000 26 O43 o E 22 21 20 1.490 100.674 66.801 -0.850000 27 H3 h1 E 20 12 10 1.070 111.095 -59.204 0.100000 28 C4 c3 M 20 12 10 1.553 110.338 60.835 0.050000 29 O14 os S 28 20 12 1.414 106.650 -178.677 -0.500000 30 P4 p5 3 29 28 20 1.600 126.723 -127.693 1.200000 31 O24 o E 30 29 28 1.490 111.527 -130.782 -0.850000 32 O34 o E 30 29 28 1.490 110.677 -1.589 -0.850000 33 O44 oh S 30 29 28 1.600 103.294 107.215 -0.500000 34 H44 ho E 33 30 29 0.959 109.489 -121.711 0.350000 35 H4 h1 E 28 20 12 1.070 110.096 58.773 0.100000 36 C5 c3 M 28 20 12 1.538 110.622 -61.546 0.050000 37 O15 os S 36 28 20 1.443 108.550 174.264 -0.500000 38 P5 p5 3 37 36 28 1.600 121.623 125.007 1.200000 39 O25 o E 38 37 36 1.490 106.555 51.621 -0.850000 40 O35 oh S 38 37 36 1.601 103.065 -70.749 -0.500000 41 H35 ho E 40 38 37 0.959 109.449 -79.380 0.350000 42 O45 o E 38 37 36 1.490 99.468 172.942 -0.850000 43 H5 h1 E 36 28 20 1.071 109.687 -65.409 0.100000 44 C6 c3 M 36 28 20 1.540 110.278 53.875 0.050000 45 H6 h1 E 44 36 28 1.071 104.247 69.039 0.100000 46 O16 os M 44 36 28 1.438 111.210 -170.919 -0.500000 47 P6 p5 M 46 44 36 1.600 122.435 -108.377 1.200000 48 O36 o E 47 46 44 1.490 100.548 -135.435 -0.850000 49 O46 oh S 47 46 44 1.600 101.070 112.204 -0.500000 50 H46 ho E 49 47 46 0.960 109.488 29.457 0.350000 51 O26 o M 47 46 44 1.491 113.343 -10.774 -0.850000 LOOP C6 C1 IMPROPER DONE STOP