0 0 2 This is a remark line molecule.res VLB 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 C30 c3 M 3 2 1 1.540 111.208 180.000 0.00000 5 H40 hc E 4 3 2 1.093 82.696 -94.549 0.00000 6 H41 hc E 4 3 2 1.093 82.320 15.371 0.00000 7 H42 hc E 4 3 2 1.093 157.604 142.607 0.00000 8 C29 c M 4 3 2 1.497 47.970 141.171 0.00000 9 O31 o E 8 4 3 1.225 125.850 63.713 0.00000 10 O28 os M 8 4 3 1.372 110.941 -116.743 0.00000 11 C4 c3 M 10 8 4 1.443 115.589 -175.930 0.00000 12 C3 c3 3 11 10 8 1.543 109.930 118.469 0.00000 13 C2 c3 B 12 11 10 1.565 109.948 -167.622 0.00000 14 N1 nh S 13 12 11 1.512 116.289 72.322 0.00000 15 C22 c3 3 14 13 12 1.480 110.615 101.185 0.00000 16 H18 h1 E 15 14 13 1.093 112.884 -52.229 0.00000 17 H19 h1 E 15 14 13 1.096 111.285 68.785 0.00000 18 H20 h1 E 15 14 13 1.096 109.737 -171.689 0.00000 19 H26 h1 E 13 12 11 1.101 107.626 -167.301 0.00000 20 C23 c B 12 11 10 1.543 107.842 -46.414 0.00000 21 O25 os S 20 12 11 1.354 111.086 109.726 0.00000 22 C26 c3 3 21 20 12 1.434 115.126 -177.337 0.00000 23 H33 h1 E 22 21 20 1.094 110.207 -62.085 0.00000 24 H34 h1 E 22 21 20 1.095 110.231 60.553 0.00000 25 H35 h1 E 22 21 20 1.093 108.043 179.170 0.00000 26 O24 o E 20 12 11 1.225 122.385 -69.130 0.00000 27 O27 oh S 12 11 10 1.423 111.284 76.454 0.00000 28 H29 ho E 27 12 11 0.985 108.102 -78.815 0.00000 29 H43 h1 E 11 10 8 1.097 109.650 3.252 0.00000 30 C5 c3 M 11 10 8 1.564 111.009 -113.604 0.00000 31 C20 c3 3 30 11 10 1.587 108.301 65.100 0.00000 32 C21 c3 3 31 30 11 1.528 117.741 -86.848 0.00000 33 H56 hc E 32 31 30 1.096 109.532 171.259 0.00000 34 H57 hc E 32 31 30 1.095 111.294 -70.757 0.00000 35 H58 hc E 32 31 30 1.090 113.115 51.207 0.00000 36 H59 hc E 31 30 11 1.097 108.978 36.953 0.00000 37 H60 hc E 31 30 11 1.097 110.239 150.890 0.00000 38 C6 c2 B 30 11 10 1.509 115.087 -55.707 0.00000 39 C7 c2 B 38 30 11 1.341 119.356 -160.744 0.00000 40 C8 c3 3 39 38 30 1.497 121.255 3.881 0.00000 41 N9 n3 S 40 39 38 1.498 112.447 41.012 0.00000 42 C10 c3 3 41 40 39 1.484 106.281 75.472 0.00000 43 C11 c3 B 42 41 40 1.510 107.286 -135.759 0.00000 44 H63 hc E 43 42 41 1.095 108.487 114.732 0.00000 45 H64 hc E 43 42 41 1.096 111.402 -127.499 0.00000 46 H61 h1 E 42 41 40 1.095 108.471 105.031 0.00000 47 H62 h1 E 42 41 40 1.097 114.934 -14.121 0.00000 48 H54 h1 E 40 39 38 1.097 109.292 163.372 0.00000 49 H55 h1 E 40 39 38 1.095 110.067 -81.584 0.00000 50 H53 ha E 39 38 30 1.090 120.190 -173.615 0.00000 51 H52 ha E 38 30 11 1.089 120.628 26.711 0.00000 52 C19 c3 M 30 11 10 1.583 108.876 -178.216 0.00000 53 H48 h1 E 52 30 11 1.100 103.084 -88.575 0.00000 54 C12 c3 M 52 30 11 1.547 120.063 29.841 0.00000 55 C13 ca M 54 52 30 1.476 105.388 -135.217 0.00000 56 C14 ca S 55 54 52 1.580 134.421 -63.964 0.00000 57 H11 ha E 56 55 54 1.083 115.655 -26.191 0.00000 58 C18 ca M 55 54 52 1.522 108.404 106.544 0.00000 59 C17 ca M 58 55 54 1.544 117.379 -159.364 0.00000 60 H8 ha E 59 58 55 1.089 117.257 170.220 0.00000 61 C16 ca M 59 58 55 1.370 120.080 -7.670 0.00000 62 O32 os S 61 59 58 1.391 124.609 178.269 0.00000 63 C33 c3 3 62 61 59 1.445 117.124 8.714 0.00000 64 H13 h1 E 63 62 61 1.094 107.325 175.768 0.00000 65 H14 h1 E 63 62 61 1.094 110.458 -66.477 0.00000 66 H15 h1 E 63 62 61 1.094 110.665 57.765 0.00000 67 C15 ca M 61 59 58 1.521 123.953 -3.379 0.00000 68 C18' c3 M 67 61 59 1.615 117.759 -158.635 0.00000 69 C23' c B 68 67 61 1.579 100.698 60.351 0.00000 70 O25' os S 69 68 67 1.349 112.482 52.941 0.00000 71 C26' c3 3 70 69 68 1.444 115.541 174.466 0.00000 72 H78 h1 E 71 70 69 1.094 110.165 -56.922 0.00000 73 H79 h1 E 71 70 69 1.095 109.733 65.556 0.00000 74 H80 h1 E 71 70 69 1.093 107.885 -175.822 0.00000 75 O24' o E 69 68 67 1.231 120.377 -126.874 0.00000 76 C1' c3 M 68 67 61 1.592 119.499 171.705 0.00000 77 H95 hc E 76 68 67 1.102 105.685 -155.090 0.00000 78 H96 hc E 76 68 67 1.099 109.156 -45.320 0.00000 79 C2' c3 M 76 68 67 1.569 124.522 85.129 0.00000 80 C3' c3 3 79 76 68 1.556 112.573 -109.255 0.00000 81 C4' c3 3 80 79 76 1.540 111.965 139.099 0.00000 82 C5' c3 B 81 80 79 1.572 108.396 -51.757 0.00000 83 H116 h1 E 82 81 80 1.095 110.196 -85.404 0.00000 84 H117 h1 E 82 81 80 1.099 107.513 156.607 0.00000 85 C20' c3 3 81 80 79 1.537 111.399 -176.951 0.00000 86 C21' c3 3 85 81 80 1.523 114.186 178.924 0.00000 87 H113 hc E 86 85 81 1.095 109.949 177.531 0.00000 88 H114 hc E 86 85 81 1.094 111.483 -63.301 0.00000 89 H115 hc E 86 85 81 1.095 111.499 57.976 0.00000 90 H111 hc E 85 81 80 1.092 109.794 55.854 0.00000 91 H112 hc E 85 81 80 1.098 109.316 -60.491 0.00000 92 O22' oh S 81 80 79 1.434 106.803 64.438 0.00000 93 H94 ho E 92 81 80 0.980 109.635 97.152 0.00000 94 H109 hc E 80 79 76 1.098 107.937 -100.144 0.00000 95 H110 hc E 80 79 76 1.091 111.509 16.002 0.00000 96 H97 hc E 79 76 68 1.100 105.420 136.553 0.00000 97 C19' c3 M 79 76 68 1.529 115.633 20.268 0.00000 98 H98 h1 E 97 79 76 1.094 114.754 163.273 0.00000 99 H99 h1 E 97 79 76 1.088 108.330 50.860 0.00000 100 N6' n3 M 97 79 76 1.466 105.461 -71.650 0.00000 101 C7' c3 M 100 97 79 1.472 114.058 166.217 0.00000 102 H100 h1 E 101 100 97 1.097 111.649 31.388 0.00000 103 H101 h1 E 101 100 97 1.098 110.756 150.567 0.00000 104 C8' c3 M 101 100 97 1.539 109.797 -92.537 0.00000 105 H102 hc E 104 101 100 1.096 108.941 177.961 0.00000 106 H103 hc E 104 101 100 1.095 109.399 -67.032 0.00000 107 C9' cc M 104 101 100 1.495 113.165 54.902 0.00000 108 C17' cd M 107 104 101 1.657 126.087 -76.245 0.00000 109 N16' na M 108 107 104 1.494 106.426 171.602 0.00000 110 H105 hn E 109 108 107 1.043 110.589 133.247 0.00000 111 C15' ca M 109 108 107 1.436 106.706 6.679 0.00000 112 C10' ca M 111 109 108 1.585 110.729 -6.369 0.00000 113 C11' ca M 112 111 109 1.562 116.312 -173.451 0.00000 114 H108 ha E 113 112 111 1.100 120.668 -178.029 0.00000 115 C12' ca M 113 112 111 1.609 121.139 1.697 0.00000 116 H107 ha E 115 113 112 1.096 118.109 177.909 0.00000 117 C13' ca M 115 113 112 1.350 122.629 -2.101 0.00000 118 H106 ha E 117 115 113 1.093 120.181 -179.954 0.00000 119 C14' ca M 117 115 113 1.601 120.998 0.036 0.00000 120 H104 ha E 119 117 115 1.099 119.003 -177.357 0.00000 LOOP C12 C2 C18 N1 C19 N9 C12 C11 C15 C14 C17' C18' N6' C5' C10' C9' C14' C15' IMPROPER C30 O31 C29 O28 C2 C22 N1 C18 C3 O24 C23 O25 C7 C5 C6 H52 C6 C8 C7 H53 C12 C14 C13 C18 C13 C15 C14 H11 C13 C17 C18 N1 C18 C16 C17 H8 C17 C15 C16 O32 C18' C14 C15 C16 C18' O24' C23' O25' C8' C10' C9' C17' C18' C9' C17' N16' C15' C17' N16' H105 C10' C14' C15' N16' C15' C11' C10' C9' C10' C12' C11' H108 C11' C13' C12' H107 C12' C14' C13' H106 C15' C13' C14' H104 DONE STOP