0 0 2 This is a remark line molecule.res FK5 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 O1 os M 3 2 1 1.540 111.208 180.000 -0.407600 5 C1 c M 4 3 2 1.338 44.153 45.696 0.623800 6 O2 o E 5 4 3 1.223 126.104 -168.714 -0.547900 7 C2 c3 M 5 4 3 1.513 113.862 14.385 0.039500 8 H1 h1 E 7 5 4 1.090 106.981 -111.631 0.127800 9 C3 c3 M 7 5 4 1.527 109.411 132.842 -0.095600 10 H2 hc E 9 7 5 1.090 108.932 43.740 0.080500 11 H3 hc E 9 7 5 1.090 108.951 163.193 0.060000 12 C4 c3 M 9 7 5 1.522 111.479 -76.544 -0.085200 13 H4 hc E 12 9 7 1.090 109.436 58.955 0.045100 14 H5 hc E 12 9 7 1.090 109.416 178.947 0.051800 15 C5 c3 M 12 9 7 1.516 109.682 -61.056 -0.100300 16 H6 hc E 15 12 9 1.090 110.092 -178.676 0.054800 17 H7 hc E 15 12 9 1.090 110.065 -57.857 0.060300 18 C6 c3 M 15 12 9 1.516 107.007 61.744 0.093700 19 H8 h1 E 18 15 12 1.090 109.429 61.681 0.058300 20 H9 h1 E 18 15 12 1.090 109.440 -178.353 0.068000 21 N7 n M 18 15 12 1.479 109.685 -58.347 -0.438000 22 C8 c M 21 18 15 1.349 123.863 -120.333 0.589600 23 O3 o E 22 21 18 1.247 121.247 178.136 -0.587400 24 C9 c M 22 21 18 1.503 122.066 -1.230 0.502600 25 O4 o E 24 22 21 1.233 118.691 87.453 -0.481100 26 C10 c3 M 24 22 21 1.544 119.543 -93.066 0.270700 27 O5 os E 26 24 22 1.446 100.535 82.539 -0.460000 28 O6 oh S 26 24 22 1.408 112.112 -162.040 -0.590600 29 H67 ho E 28 26 24 1.050 109.512 -60.014 0.429400 30 C11 c3 M 26 24 22 1.532 114.205 -36.400 -0.052300 31 C35 c3 3 30 26 24 1.522 112.256 -77.427 -0.091400 32 H38 hc E 31 30 26 1.090 109.521 179.993 0.043800 33 H39 hc E 31 30 26 1.090 109.489 59.991 0.053200 34 H40 hc E 31 30 26 1.090 109.529 -60.010 0.057100 35 H10 hc E 30 26 24 1.090 108.395 42.250 0.072800 36 C12 c3 M 30 26 24 1.530 109.651 160.406 -0.111800 37 H11 hc E 36 30 26 1.090 108.074 74.439 0.070500 38 H12 hc E 36 30 26 1.090 108.029 -167.185 0.051400 39 C13 c3 M 36 30 26 1.553 115.042 -46.380 0.127900 40 O7 os S 39 36 30 1.455 112.563 174.977 -0.405200 41 C43 c3 3 40 39 36 1.446 115.161 91.891 0.114000 42 H58 h1 E 41 40 39 1.090 109.501 179.976 0.061700 43 H59 h1 E 41 40 39 1.090 109.522 60.015 0.036400 44 H60 h1 E 41 40 39 1.090 109.474 -59.998 0.022800 45 H13 h1 E 39 36 30 1.090 108.878 -64.253 0.055600 46 C14 c3 M 39 36 30 1.571 107.224 53.334 0.115900 47 H14 h1 E 46 39 36 1.090 108.806 55.996 0.069500 48 C15 c3 M 46 39 36 1.535 118.127 -179.323 0.154000 49 O8 os S 48 46 39 1.437 107.945 -80.658 -0.407300 50 C44 c3 3 49 48 46 1.443 114.015 -83.611 0.113100 51 H61 h1 E 50 49 48 1.091 109.502 179.999 0.061900 52 H62 h1 E 50 49 48 1.090 109.514 59.988 0.027700 53 H63 h1 E 50 49 48 1.090 109.491 -59.986 0.015800 54 H15 h1 E 48 46 39 1.090 108.545 161.907 0.049700 55 C16 c3 M 48 46 39 1.537 111.933 42.149 -0.080900 56 H16 hc E 55 48 46 1.090 107.534 -70.542 0.061400 57 H17 hc E 55 48 46 1.090 107.505 47.258 0.051100 58 C17 c3 M 55 48 46 1.551 117.163 168.358 -0.050900 59 C36 c3 3 58 55 48 1.538 111.972 -28.704 -0.091600 60 H41 hc E 59 58 55 1.090 109.503 -179.984 0.033600 61 H42 hc E 59 58 55 1.090 109.527 60.005 0.042600 62 H43 hc E 59 58 55 1.090 109.483 -59.988 0.033100 63 H18 hc E 58 55 48 1.090 109.174 -149.647 0.043300 64 C18 c3 M 58 55 48 1.539 108.316 91.613 -0.056500 65 H19 hc E 64 58 55 1.091 108.780 -155.498 0.045600 66 H20 hc E 64 58 55 1.090 108.804 -36.255 0.078200 67 C19 c2 M 64 58 55 1.505 112.159 84.115 -0.098800 68 C37 c3 3 67 64 58 1.543 113.704 79.749 -0.064300 69 H44 hc E 68 67 64 1.091 109.488 179.998 0.035800 70 H45 hc E 68 67 64 1.090 109.487 60.019 0.051800 71 H46 hc E 68 67 64 1.090 109.490 -60.026 0.044100 72 C20 c2 M 67 64 58 1.326 118.872 -99.977 -0.186300 73 H21 ha E 72 67 64 1.090 117.123 -2.880 0.142000 74 C21 c3 M 72 67 64 1.521 125.692 177.125 -0.125200 75 C38 c3 3 74 72 67 1.562 110.107 140.370 -0.037900 76 C39 c2 B 75 74 72 1.538 118.357 173.578 -0.161000 77 C40 c2 B 76 75 74 1.320 125.563 45.691 -0.228300 78 H50 ha E 77 76 75 1.090 119.977 -0.007 0.105500 79 H51 ha E 77 76 75 1.090 119.979 -179.993 0.116800 80 H49 ha E 76 75 74 1.090 117.202 -134.326 0.127600 81 H47 hc E 75 74 72 1.090 107.207 -65.149 0.058200 82 H48 hc E 75 74 72 1.090 107.230 52.355 0.062700 83 H22 hc E 74 72 67 1.090 109.565 19.804 0.069200 84 C22 c M 74 72 67 1.522 107.232 -99.016 0.591400 85 O9 o E 84 74 72 1.239 121.374 -86.708 -0.543000 86 C23 c3 M 84 74 72 1.523 115.854 91.981 -0.221900 87 H23 hc E 86 84 74 1.089 108.367 -41.231 0.068300 88 H24 hc E 86 84 74 1.090 108.348 77.528 0.088200 89 C24 c3 M 86 84 74 1.508 113.810 -161.872 0.144000 90 O10 oh S 89 86 84 1.435 108.345 -158.990 -0.591300 91 H68 ho E 90 89 86 1.050 109.525 -60.008 0.396300 92 H25 h1 E 89 86 84 1.090 108.885 -40.683 0.108700 93 C25 c3 M 89 86 84 1.584 111.713 79.598 -0.102900 94 C41 c3 3 93 89 86 1.558 111.410 61.704 -0.103500 95 H52 hc E 94 93 89 1.090 109.491 -179.996 0.047100 96 H53 hc E 94 93 89 1.090 109.496 60.010 0.034400 97 H54 hc E 94 93 89 1.090 109.493 -59.990 0.038900 98 H26 hc E 93 89 86 1.090 109.169 -58.956 0.074900 99 C26 c3 M 93 89 86 1.565 109.439 -178.370 0.178300 100 H27 h1 E 99 93 89 1.090 108.141 -61.962 0.108600 101 C27 c2 M 99 93 89 1.526 111.215 56.636 -0.140300 102 C42 c3 3 101 99 93 1.536 118.676 65.139 -0.061100 103 H55 hc E 102 101 99 1.090 109.502 179.987 0.042500 104 H56 hc E 102 101 99 1.090 109.501 60.018 0.049600 105 H57 hc E 102 101 99 1.090 109.471 -60.008 0.052800 106 C28 c2 M 101 99 93 1.327 116.256 -114.978 -0.135000 107 H28 ha E 106 101 99 1.090 117.723 -4.984 0.134400 108 C29 c3 M 106 101 99 1.507 124.524 175.038 -0.030300 109 H29 hc E 108 106 101 1.090 110.601 2.351 0.054900 110 C30 c3 M 108 106 101 1.535 110.928 125.444 -0.101300 111 H30 hc E 110 108 106 1.090 107.529 -75.839 0.045800 112 H31 hc E 110 108 106 1.090 107.536 41.989 0.064100 113 C31 c3 M 110 108 106 1.522 117.077 163.050 0.115500 114 O11 os S 113 110 108 1.438 114.704 -169.374 -0.404800 115 C45 c3 3 114 113 110 1.436 114.763 -91.211 0.116500 116 H64 h1 E 115 114 113 1.090 109.486 -179.989 0.062300 117 H65 h1 E 115 114 113 1.091 109.487 60.011 0.020000 118 H66 h1 E 115 114 113 1.090 109.485 -60.006 0.017900 119 H32 h1 E 113 110 108 1.090 108.115 69.932 0.035900 120 C32 c3 M 113 110 108 1.511 108.735 -47.241 0.134100 121 O12 oh S 120 113 110 1.415 106.652 175.280 -0.586900 122 H69 ho E 121 120 113 1.051 109.488 -60.000 0.389500 123 H33 h1 E 120 113 110 1.090 109.759 -65.893 0.094200 124 C33 c3 M 120 113 110 1.516 110.537 55.272 -0.111400 125 H34 hc E 124 120 113 1.090 109.949 52.851 0.041700 126 H35 hc E 124 120 113 1.090 109.939 173.476 0.061000 127 C34 c3 M 124 120 113 1.514 107.584 -66.836 -0.074200 128 H36 hc E 127 124 120 1.090 109.567 -53.328 0.054100 129 H37 hc E 127 124 120 1.090 109.563 -173.481 0.052300 LOOP C26 O1 N7 C2 C14 O5 C34 C29 IMPROPER C2 O2 C1 O1 C8 C6 N7 C2 C9 N7 C8 O3 C8 C10 C9 O4 C20 C18 C19 C37 C19 C21 C20 H21 C40 C38 C39 H49 C39 H50 C40 H51 C21 C23 C22 O9 C28 C42 C27 C26 C27 C29 C28 H28 DONE STOP