0 0 2 This is a remark line molecule.res YLY 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 N4 nb M 3 2 1 1.540 111.208 180.000 -0.81861 5 C5 ca B 4 3 2 1.327 63.688 -0.819 0.81813 6 C3 ca S 5 4 3 1.401 118.462 -64.447 -0.01698 7 N2 nd S 6 5 4 1.383 133.177 -178.975 -0.63987 8 C2 cc S 7 6 5 1.286 104.073 178.591 0.23291 9 H4 h5 E 8 7 6 1.067 125.165 -178.933 0.15348 10 N5 nh B 5 4 3 1.343 118.990 114.550 -0.99499 11 H1 hn E 10 5 4 0.994 119.583 168.330 0.43802 12 H2 hn E 10 5 4 0.994 118.059 10.452 0.43802 13 C4 ca M 4 3 2 1.326 82.417 -128.204 0.65000 14 H3 h5 E 13 4 3 1.074 115.308 -125.471 0.05154 15 N3 nb M 13 4 3 1.314 128.592 54.745 -0.78402 16 C1 ca M 15 13 4 1.331 111.756 0.103 0.40045 17 N1 na M 16 15 13 1.366 128.287 179.832 -0.04790 18 C6 c3 M 17 16 15 1.466 127.453 7.378 0.03991 19 C9 c3 3 18 17 16 1.539 111.603 57.564 0.19425 20 C8 c3 B 19 18 17 1.521 99.356 82.814 0.35078 21 O4 oh S 20 19 18 1.381 115.486 165.653 -0.70134 22 H10 ho E 21 20 19 0.952 107.467 150.882 0.45717 23 H7 h1 E 20 19 18 1.080 106.319 -71.750 -0.05417 24 O5 oh S 19 18 17 1.395 109.542 -162.458 -0.62828 25 H9 ho E 24 19 18 0.947 109.839 90.192 0.42620 26 H6 h1 E 19 18 17 1.080 112.843 -37.203 0.08529 27 H5 h2 E 18 17 16 1.079 109.093 -67.341 0.14692 28 O1 os M 18 17 16 1.392 107.911 173.368 -0.42694 29 C7 c3 M 28 18 17 1.422 110.987 -108.054 0.18271 30 H8 h1 E 29 28 18 1.084 108.971 -99.236 0.09139 31 C10 c3 M 29 28 18 1.511 111.049 143.523 0.02474 32 H11 h1 E 31 29 28 1.078 109.518 173.942 0.09522 33 H12 h1 E 31 29 28 1.078 110.202 54.032 0.09522 34 O2 os M 31 29 28 1.437 112.919 -63.304 -0.50938 35 P1 p5 M 34 31 29 1.570 124.549 -97.426 1.38527 36 O6 oh S 35 34 31 1.564 103.371 158.274 -0.71030 37 H13 ho E 36 35 34 0.956 118.129 -47.977 0.48885 38 O7 o E 35 34 31 1.451 114.132 27.368 -0.69275 39 O3 os M 35 34 31 1.609 107.527 -100.438 -0.46340 40 C11 c M 39 35 34 1.351 123.900 70.305 0.76077 41 O8 o E 40 39 35 1.182 121.857 -14.170 -0.52990 42 C12 c3 M 40 39 35 1.518 111.864 170.233 0.16705 43 N6 n3 B 42 40 39 1.450 110.010 -38.759 -1.03107 44 H14 hn E 43 42 40 1.001 110.120 -179.391 0.40492 45 H15 hn E 43 42 40 1.000 111.692 60.659 0.40492 46 H16 h1 E 42 40 39 1.094 103.706 82.102 0.02646 47 C13 c3 M 42 40 39 1.532 111.014 -162.440 -0.16968 48 H17 hc E 47 42 40 1.084 108.127 -55.460 0.04435 49 H18 hc E 47 42 40 1.089 107.475 -170.049 0.04435 50 C14 c3 M 47 42 40 1.531 114.683 67.661 0.32166 51 H19 hc E 50 47 42 1.085 109.788 62.990 -0.03296 52 H20 hc E 50 47 42 1.083 109.589 -53.595 -0.03296 53 C15 c3 M 50 47 42 1.529 112.050 -174.941 -0.27294 54 H21 hc E 53 50 47 1.088 109.953 -58.780 0.05113 55 H22 hc E 53 50 47 1.089 109.751 57.584 0.05113 56 C16 c3 M 53 50 47 1.528 113.564 -179.645 0.19410 57 H23 h1 E 56 53 50 1.088 109.658 174.334 0.05192 58 H24 h1 E 56 53 50 1.080 110.827 56.030 0.05192 59 N7 n M 56 53 50 1.450 111.913 -63.290 -0.67227 60 H25 hn E 59 56 53 0.995 117.630 -50.867 0.34054 61 C17 c M 59 56 53 1.350 123.253 141.450 0.68612 62 O9 o E 61 59 56 1.202 123.303 -4.020 -0.57310 63 C18 c3 M 61 59 56 1.530 115.504 177.028 0.17809 64 H26 h1 E 63 61 59 1.084 109.723 1.009 0.02016 65 N8 n2 M 63 61 59 1.463 107.446 -117.470 -0.63617 66 C19 c2 M 65 63 61 1.254 108.535 -103.375 0.30438 67 H31 ha E 66 65 63 1.079 120.272 177.536 0.06481 68 C20 c3 M 66 65 63 1.507 116.638 -2.129 -0.19813 69 H32 hc E 68 66 65 1.085 109.907 103.930 0.07899 70 H33 hc E 68 66 65 1.086 112.755 -135.468 0.07899 71 C21 c3 M 68 66 65 1.538 100.501 -14.524 0.17641 72 H27 hc E 71 68 66 1.087 107.258 -87.533 0.03731 73 C22 c3 M 71 68 66 1.527 115.840 151.633 -0.62197 74 H28 hc E 73 71 68 1.086 111.449 -179.597 0.15773 75 H29 hc E 73 71 68 1.085 110.034 61.832 0.15773 76 H30 hc E 73 71 68 1.083 111.514 -58.165 0.15773 LOOP C1 C3 N1 C2 C7 C8 C21 C18 IMPROPER C3 N4 C5 N5 C1 C5 C3 N2 H4 N1 C2 N2 C5 H1 N5 H2 H3 N3 C4 N4 C3 N1 C1 N3 C6 C1 N1 C2 C12 O8 C11 O3 C18 N7 C17 O9 C20 H31 C19 N8 DONE STOP