0 0 2 This is a remark line molecule.res POP 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 C68 CT M 3 2 1 1.540 111.208 180.000 -0.09252 5 H76 HC E 4 3 2 1.137 67.461 60.458 0.03230 6 H77 HC E 4 3 2 1.135 76.184 -179.948 0.03230 7 H78 HC E 4 3 2 1.077 173.267 94.086 0.03233 8 C67 CT M 4 3 2 1.559 70.200 -57.361 -0.08013 9 H74 HC E 8 4 3 1.134 106.667 123.093 0.03837 10 H75 HC E 8 4 3 1.079 108.419 4.356 0.03865 11 C66 CT M 8 4 3 1.529 116.672 -112.240 -0.07935 12 H72 HC E 11 8 4 1.068 108.656 58.503 0.03933 13 H73 HC E 11 8 4 1.092 113.861 -52.733 0.03916 14 C65 CT M 11 8 4 1.572 114.692 -177.427 -0.07875 15 H70 HC E 14 11 8 1.131 104.466 76.885 0.03969 16 H71 HC E 14 11 8 1.102 117.593 -38.503 0.03988 17 C64 CT M 14 11 8 1.550 112.678 -163.698 -0.08009 18 H68 HC E 17 14 11 1.126 104.823 55.633 0.03911 19 H69 HC E 17 14 11 1.146 106.165 -58.518 0.03894 20 C63 CT M 17 14 11 1.567 111.187 175.381 -0.07938 21 H66 HC E 20 17 14 1.174 111.766 66.542 0.04033 22 H67 HC E 20 17 14 1.100 107.278 -51.204 0.04210 23 C62 CT M 20 17 14 1.540 111.127 -172.715 -0.08019 24 H64 HC E 23 20 17 1.064 113.265 57.235 0.04386 25 H65 HC E 23 20 17 1.137 98.043 -59.014 0.04102 26 C61 CT M 23 20 17 1.525 118.145 -167.936 -0.05033 27 H62 HC E 26 23 20 1.123 111.949 156.494 0.04634 28 H63 HC E 26 23 20 1.118 110.210 35.525 0.04999 29 C60 CM M 26 23 20 1.494 114.659 -77.935 -0.17389 30 H61 HA E 29 26 23 1.108 117.463 27.567 0.12247 31 C29 CM M 29 26 23 1.318 127.594 -156.023 -0.17390 32 H91 HA E 31 29 26 1.091 119.407 -178.760 0.12190 33 C28 CT M 31 29 26 1.543 122.508 0.025 -0.04972 34 H8R HC E 33 31 29 1.185 108.980 93.744 0.04774 35 H8S HC E 33 31 29 1.147 107.899 -38.051 0.04687 36 C27 CT M 33 31 29 1.614 122.056 -148.492 -0.07754 37 H7R HC E 36 33 31 1.097 118.281 49.132 0.04281 38 H7S HC E 36 33 31 1.085 110.926 -69.454 0.04203 39 C26 CT M 36 33 31 1.561 110.743 174.671 -0.08026 40 H6R HC E 39 36 33 1.142 106.516 72.635 0.03960 41 H6S HC E 39 36 33 1.100 117.603 -49.220 0.03989 42 C25 CT M 39 36 33 1.529 110.530 -174.503 -0.07927 43 H5R HC E 42 39 36 1.084 113.549 57.459 0.04277 44 H5S HC E 42 39 36 1.136 105.019 -59.557 0.04347 45 C24 CT M 42 39 36 1.575 112.450 179.044 -0.07934 46 H4R HC E 45 42 39 1.087 103.872 31.114 0.03968 47 H4S HC E 45 42 39 1.102 111.971 -83.833 0.04035 48 C23 CT M 45 42 39 1.516 111.910 155.468 -0.08072 49 H3R HC E 48 45 42 1.092 110.305 86.717 0.05310 50 H3S HC E 48 45 42 1.160 102.289 -39.164 0.06371 51 C22 CT M 48 45 42 1.559 115.439 -155.032 -0.12873 52 H2R HC E 51 48 45 1.116 111.071 45.891 0.07784 53 H2S HC E 51 48 45 1.132 107.835 -64.416 0.08069 54 C21 C M 51 48 45 1.585 118.194 170.186 0.63706 55 O22 O E 54 51 48 1.251 124.910 -4.435 -0.55034 56 O21 OS M 54 51 48 1.250 106.974 176.996 -0.43116 57 C2 CT M 56 54 51 1.458 121.530 172.712 0.13200 58 C1 CT 3 57 56 54 1.533 104.599 94.768 0.18098 59 O2 OS S 58 57 56 1.437 114.869 165.934 -0.59717 60 P1 P 3 59 58 57 1.570 127.824 154.521 1.44534 61 O3 O2 E 60 59 58 1.463 110.242 -166.015 -0.84557 62 O4 O2 E 60 59 58 1.426 108.274 -29.408 -0.78473 63 O1 OS S 60 59 58 1.544 103.178 80.001 -0.56659 64 C15 CT 3 63 60 59 1.396 133.081 0.307 0.19862 65 C11 CT 3 64 63 60 1.571 113.241 118.007 0.09230 66 N N3 3 65 64 63 1.504 119.722 -58.824 -0.58098 67 C12 CT 3 66 65 64 1.449 112.880 76.693 0.08153 68 H21 HP E 67 66 65 1.166 104.718 -49.561 0.17382 69 H22 HP E 67 66 65 1.056 109.130 52.900 0.07254 70 H23 HP E 67 66 65 1.043 118.118 178.497 0.07243 71 C13 CT 3 66 65 64 1.504 107.553 -39.828 0.06673 72 H31 HP E 71 66 65 1.058 112.568 64.486 0.19201 73 H32 HP E 71 66 65 1.050 115.825 -178.934 0.06773 74 H33 HP E 71 66 65 1.092 109.768 -53.472 0.07240 75 C14 CT 3 66 65 64 1.516 110.875 -163.423 0.08464 76 H41 HP E 75 66 65 1.154 102.139 -172.319 0.08398 77 H42 HP E 75 66 65 1.059 106.856 -53.121 0.08365 78 H43 HP E 75 66 65 1.045 108.696 69.622 0.08129 79 H11 HP E 65 64 63 1.105 111.620 63.698 0.09275 80 H12 HP E 65 64 63 1.072 105.856 174.797 0.06758 81 H51 H1 E 64 63 60 1.152 108.988 -2.701 0.06493 82 H52 H1 E 64 63 60 1.117 107.812 -120.119 0.05186 83 HA H1 E 58 57 56 1.137 108.788 38.409 0.04582 84 HB H1 E 58 57 56 1.152 104.238 -74.373 0.07732 85 HS H1 E 57 56 54 1.118 115.829 -22.724 0.08255 86 C3 CT M 57 56 54 1.577 106.715 -143.885 0.11309 87 HX H1 E 86 57 56 1.150 105.997 67.494 0.06156 88 HY H1 E 86 57 56 1.091 107.223 -171.843 0.09205 89 O31 OS M 86 57 56 1.374 111.699 -51.369 -0.42960 90 C31 C M 89 86 57 1.304 111.030 -171.855 0.63562 91 O32 O E 90 89 86 1.218 127.232 -8.187 -0.55763 92 C32 CT M 90 89 86 1.497 112.900 174.359 -0.12827 93 H2X HC E 92 90 89 1.109 110.055 -140.320 0.07023 94 H2Y HC E 92 90 89 1.111 111.053 -33.391 0.07873 95 C33 CT M 92 90 89 1.567 113.637 95.309 -0.07166 96 H3X HC E 95 92 90 1.143 111.412 63.841 0.05331 97 H3Y HC E 95 92 90 1.139 110.637 -174.569 0.04598 98 C34 CT M 95 92 90 1.563 108.993 -59.002 -0.08843 99 H4X HC E 98 95 92 1.049 104.290 -54.118 0.04214 100 H4Y HC E 98 95 92 1.110 108.733 57.525 0.06167 101 C35 CT M 98 95 92 1.524 117.468 -175.280 -0.07808 102 H5X HC E 101 98 95 1.090 106.981 -36.281 0.04216 103 H5Y HC E 101 98 95 1.096 111.529 73.917 0.03725 104 C36 CT M 101 98 95 1.580 115.002 -155.876 -0.07845 105 H6X HC E 104 101 98 1.111 107.951 -75.015 0.03937 106 H6Y HC E 104 101 98 1.158 108.002 48.899 0.03949 107 C37 CT M 104 101 98 1.566 115.302 168.666 -0.07939 108 H7X HC E 107 104 101 1.074 112.208 -71.063 0.04127 109 H7Y HC E 107 104 101 1.115 104.473 45.311 0.03919 110 C38 CT M 107 104 101 1.561 113.476 159.479 -0.07992 111 H8X HC E 110 107 104 1.160 115.552 -44.472 0.03916 112 H8Y HC E 110 107 104 1.128 105.713 68.614 0.03994 113 C39 CT M 110 107 104 1.504 111.670 -171.247 -0.07896 114 H9X HC E 113 110 107 1.125 108.550 -63.887 0.04068 115 H9Y HC E 113 110 107 1.115 110.970 58.917 0.03933 116 C69 CT M 113 110 107 1.583 110.867 -177.601 -0.08006 117 H79 HC E 116 113 110 1.122 107.200 -47.342 0.03910 118 H80 HC E 116 113 110 1.135 105.182 70.959 0.03976 119 C70 CT M 116 113 110 1.544 112.191 -171.969 -0.07885 120 H81 HC E 119 116 113 1.063 103.868 -67.236 0.04070 121 H82 HC E 119 116 113 1.123 107.410 49.885 0.03946 122 C71 CT M 119 116 113 1.529 115.819 168.870 -0.08051 123 H83 HC E 122 119 116 1.128 108.034 -63.882 0.03859 124 H84 HC E 122 119 116 1.173 117.123 53.333 0.03995 125 C72 CT M 122 119 116 1.505 108.175 171.911 -0.07778 126 H85 HC E 125 122 119 1.111 105.660 -67.676 0.04053 127 H86 HC E 125 122 119 1.085 111.577 49.656 0.03899 128 C73 CT M 125 122 119 1.515 118.053 -179.820 -0.08576 129 H87 HC E 128 125 122 1.073 113.691 -56.359 0.03840 130 H88 HC E 128 125 122 1.115 102.787 55.127 0.04464 131 C74 CT M 128 125 122 1.505 108.479 173.514 -0.07903 132 H89 HC E 131 128 125 1.127 112.233 -38.265 0.03870 133 H90 HC E 131 128 125 1.190 106.293 75.590 0.03814 134 C75 CT M 131 128 125 1.504 114.243 -167.570 -0.09549 135 H95 HC E 134 131 128 1.091 105.997 60.454 0.03478 136 H96 HC E 134 131 128 1.073 110.229 171.834 0.03247 137 H97 HC E 134 131 128 1.106 116.645 -58.395 0.03164 LOOP IMPROPER C29 C61 C60 H61 C60 C28 C29 H91 C22 O22 C21 O21 C32 O32 C31 O31 DONE STOP