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*** pigments2 ***elNémo ID: 22110512522071667Job options:ID = 22110512522071667 JOBID = pigments2 USERID = kristinaw PRIVAT = 0 NMODES = 25 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER pigments2 CRYST1 61.582 55.869 43.650 90.00 90.00 90.00 P 1 1 ATOM 1 H23 LOP B 313 58.610 34.552 33.993 1.00 0.00 ATOM 2 O2 LOP B 313 59.022 34.761 33.140 1.00 0.00 ATOM 3 C3 LOP B 313 60.354 35.182 33.393 1.00 0.00 C ATOM 4 H3 LOP B 313 60.892 34.308 33.852 1.00 0.00 H ATOM 5 C2 LOP B 313 60.572 36.252 34.455 1.00 0.00 C ATOM 6 H21 LOP B 313 59.648 36.282 35.091 1.00 0.00 H ATOM 7 H22 LOP B 313 61.423 35.883 35.086 1.00 0.00 H ATOM 8 C1 LOP B 313 60.878 37.660 34.036 1.00 0.00 C ATOM 9 CM1 LOP B 313 60.504 38.719 35.025 1.00 0.00 C ATOM 10 H8Q LOP B 313 61.128 39.638 34.889 1.00 0.00 H ATOM 11 H8R LOP B 313 60.640 38.358 36.083 1.00 0.00 H ATOM 12 HM1 LOP B 313 59.421 38.994 34.953 1.00 0.00 H ATOM 13 C6 LOP B 313 61.159 38.024 32.596 1.00 0.00 C ATOM 14 O1 LOP B 313 62.216 37.820 33.549 1.00 0.00 O ATOM 15 C5 LOP B 313 60.946 36.940 31.564 1.00 0.00 C ATOM 16 C4 LOP B 313 61.078 35.515 32.090 1.00 0.00 C ATOM 17 H41 LOP B 313 60.715 34.724 31.393 1.00 0.00 H ATOM 18 H42 LOP B 313 62.163 35.296 32.257 1.00 0.00 H ATOM 19 CM3 LOP B 313 61.970 37.017 30.424 1.00 0.00 C ATOM 20 H8U LOP B 313 61.908 36.009 29.933 1.00 0.00 H ATOM 21 H8V LOP B 313 63.014 37.220 30.774 1.00 0.00 H ATOM 22 HM3 LOP B 313 61.650 37.783 29.669 1.00 0.00 H ATOM 23 CM2 LOP B 313 59.548 37.018 30.962 1.00 0.00 C ATOM 24 H8S LOP B 313 59.314 36.143 30.303 1.00 0.00 H ATOM 25 H8T LOP B 313 59.388 37.946 30.355 1.00 0.00 H ATOM 26 HM2 LOP B 313 58.761 37.127 31.740 1.00 0.00 H ATOM 27 C7 LOP B 313 60.947 39.425 32.157 1.00 0.00 C ATOM 28 H7 LOP B 313 59.931 39.448 31.722 1.00 0.00 H ATOM 29 C8 LOP B 313 61.728 40.480 32.408 1.00 0.00 C ATOM 30 H8 LOP B 313 62.323 40.484 33.338 1.00 0.00 H ATOM 31 C9 LOP B 313 61.814 41.676 31.606 1.00 0.00 ATOM 32 C11 LOP B 313 61.524 42.905 32.122 1.00 0.00 ATOM 33 H11 LOP B 313 61.332 43.266 33.135 1.00 0.00 H ATOM 34 C12 LOP B 313 61.413 43.932 31.086 1.00 0.00 ATOM 35 O4 LOP B 313 61.729 43.271 29.882 1.00 0.00 O ATOM 36 C10 LOP B 313 61.877 41.897 30.145 1.00 0.00 ATOM 37 O3 LOP B 313 62.094 41.161 29.182 1.00 0.00 ATOM 38 C13 LOP B 313 61.164 45.242 31.221 1.00 0.00 C ATOM 39 H13 LOP B 313 61.054 45.906 30.338 1.00 0.00 H ATOM 40 C14 LOP B 313 60.950 45.878 32.509 1.00 0.00 C ATOM 41 CM4 LOP B 313 62.036 46.026 33.518 1.00 0.00 C ATOM 42 H8W LOP B 313 61.989 47.062 33.930 1.00 0.00 H ATOM 43 H8X LOP B 313 63.066 45.898 33.087 1.00 0.00 H ATOM 44 HM4 LOP B 313 61.935 45.196 34.270 1.00 0.00 H ATOM 45 C15 LOP B 313 59.683 46.312 32.729 1.00 0.00 C ATOM 46 H15 LOP B 313 59.327 47.096 32.042 1.00 0.00 H ATOM 47 C16 LOP B 313 58.834 45.782 33.766 1.00 0.00 C ATOM 48 H16 LOP B 313 59.340 45.292 34.614 1.00 0.00 H ATOM 49 C17 LOP B 313 57.505 45.976 33.898 1.00 0.00 C ATOM 50 H17 LOP B 313 57.057 46.871 33.439 1.00 0.00 H ATOM 51 C18 LOP B 313 56.672 45.255 34.821 1.00 0.00 C ATOM 52 H18 LOP B 313 55.879 45.902 35.236 1.00 0.00 H ATOM 53 C19 LOP B 313 56.906 43.956 35.131 1.00 0.00 C ATOM 54 H19 LOP B 313 57.879 43.518 34.860 1.00 0.00 H ATOM 55 C20 LOP B 313 56.100 43.140 35.998 1.00 0.00 C ATOM 56 H20 LOP B 313 55.979 43.413 37.053 1.00 0.00 H ATOM 57 C21 LOP B 313 55.659 41.895 35.714 1.00 0.00 C ATOM 58 CM5 LOP B 313 56.670 40.864 35.382 1.00 0.00 C ATOM 59 H8Y LOP B 313 56.874 40.876 34.285 1.00 0.00 H ATOM 60 H8Z LOP B 313 56.280 39.867 35.707 1.00 0.00 H ATOM 61 HM5 LOP B 313 57.614 41.100 35.954 1.00 0.00 H ATOM 62 C22 LOP B 313 54.274 41.508 35.933 1.00 0.00 C ATOM 63 H8L LOP B 313 53.927 40.579 35.449 1.00 0.00 H ATOM 64 C23 LOP B 313 53.339 42.298 36.400 1.00 0.00 C ATOM 65 C24 LOP B 313 52.524 43.323 36.499 1.00 0.00 C ATOM 66 C25 LOP B 313 51.777 43.660 35.235 1.00 0.00 C ATOM 67 CM6 LOP B 313 52.576 43.463 33.942 1.00 0.00 C ATOM 68 HM6 LOP B 313 52.836 42.370 33.862 1.00 0.00 H ATOM 69 H80 LOP B 313 53.593 43.934 33.932 1.00 0.00 H ATOM 70 H81 LOP B 313 51.976 43.757 33.055 1.00 0.00 H ATOM 71 CM7 LOP B 313 50.542 42.775 35.057 1.00 0.00 C ATOM 72 H82 LOP B 313 50.871 41.791 34.646 1.00 0.00 H ATOM 73 H83 LOP B 313 49.740 43.131 34.359 1.00 0.00 H ATOM 74 HM7 LOP B 313 49.990 42.641 36.024 1.00 0.00 H ATOM 75 C26 LOP B 313 51.505 45.172 35.215 1.00 0.00 C ATOM 76 H26 LOP B 313 50.687 45.534 34.545 1.00 0.00 H ATOM 77 H8M LOP B 313 52.471 45.739 35.099 1.00 0.00 H ATOM 78 C27 LOP B 313 50.882 45.607 36.529 1.00 0.00 C ATOM 79 H27 LOP B 313 49.901 45.085 36.735 1.00 0.00 H ATOM 80 O6 LOP B 313 50.616 47.019 36.424 1.00 0.00 O ATOM 81 C30 LOP B 313 49.537 47.530 37.076 1.00 0.00 ATOM 82 O7 LOP B 313 48.604 46.841 37.480 1.00 0.00 ATOM 83 C31 LOP B 313 49.624 49.012 37.198 1.00 0.00 C ATOM 84 H8O LOP B 313 50.655 49.379 36.969 1.00 0.00 H ATOM 85 H8P LOP B 313 49.367 49.307 38.243 1.00 0.00 H ATOM 86 H31 LOP B 313 48.904 49.452 36.466 1.00 0.00 H ATOM 87 C28 LOP B 313 51.790 45.323 37.722 1.00 0.00 C ATOM 88 H28 LOP B 313 51.319 45.684 38.667 1.00 0.00 H ATOM 89 H8N LOP B 313 52.685 45.977 37.546 1.00 0.00 H ATOM 90 C29 LOP B 313 52.155 43.847 37.885 1.00 0.00 C ATOM 91 O5 LOP B 313 51.188 43.055 38.579 1.00 0.00 ATOM 92 H5 LOP B 313 50.291 43.026 38.208 1.00 0.00 ATOM 93 CM8 LOP B 313 53.323 43.958 38.863 1.00 0.00 C ATOM 94 H84 LOP B 313 54.176 44.450 38.333 1.00 0.00 H ATOM 95 H85 LOP B 313 53.651 42.957 39.252 1.00 0.00 H ATOM 96 HM8 LOP B 313 53.126 44.695 39.693 1.00 0.00 H ATOM 97 H23 LOP C 314 64.902 53.769 25.224 1.00 0.00 ATOM 98 O2 LOP C 314 64.185 53.754 24.570 1.00 0.00 ATOM 99 C3 LOP C 314 63.028 54.049 25.340 1.00 0.00 C ATOM 100 H3 LOP C 314 62.795 55.122 25.087 1.00 0.00 H ATOM 101 C2 LOP C 314 63.166 53.774 26.827 1.00 0.00 C ATOM 102 H21 LOP C 314 64.276 53.753 27.003 1.00 0.00 H ATOM 103 H22 LOP C 314 62.665 54.517 27.495 1.00 0.00 H ATOM 104 C1 LOP C 314 62.622 52.507 27.429 1.00 0.00 C ATOM 105 CM1 LOP C 314 63.216 52.157 28.760 1.00 0.00 C ATOM 106 H8Q LOP C 314 62.354 52.001 29.457 1.00 0.00 H ATOM 107 H8R LOP C 314 63.829 52.980 29.198 1.00 0.00 H ATOM 108 HM1 LOP C 314 63.859 51.233 28.756 1.00 0.00 H ATOM 109 C6 LOP C 314 61.843 51.533 26.576 1.00 0.00 C ATOM 110 O1 LOP C 314 61.184 52.501 27.411 1.00 0.00 O ATOM 111 C5 LOP C 314 61.709 51.835 25.088 1.00 0.00 C ATOM 112 C4 LOP C 314 61.828 53.323 24.747 1.00 0.00 C ATOM 113 H41 LOP C 314 61.729 53.481 23.646 1.00 0.00 H ATOM 114 H42 LOP C 314 60.913 53.871 25.086 1.00 0.00 H ATOM 115 CM3 LOP C 314 60.360 51.491 24.442 1.00 0.00 C ATOM 116 H8U LOP C 314 59.552 52.021 24.998 1.00 0.00 H ATOM 117 H8V LOP C 314 60.137 50.402 24.463 1.00 0.00 H ATOM 118 HM3 LOP C 314 60.344 51.876 23.389 1.00 0.00 H ATOM 119 CM2 LOP C 314 62.691 50.973 24.315 1.00 0.00 C ATOM 120 H8S LOP C 314 62.642 51.180 23.216 1.00 0.00 H ATOM 121 H8T LOP C 314 62.439 49.878 24.278 1.00 0.00 H ATOM 122 HM2 LOP C 314 63.742 51.077 24.689 1.00 0.00 H ATOM 123 C7 LOP C 314 61.710 50.104 26.913 1.00 0.00 C ATOM 124 H7 LOP C 314 62.730 49.672 27.053 1.00 0.00 H ATOM 125 C8 LOP C 314 60.553 49.511 27.208 1.00 0.00 C ATOM 126 H8 LOP C 314 59.674 50.199 27.266 1.00 0.00 H ATOM 127 C9 LOP C 314 60.386 48.108 27.415 1.00 0.00 ATOM 128 C11 LOP C 314 59.182 47.561 27.735 1.00 0.00 ATOM 129 H11 LOP C 314 58.174 47.941 27.593 1.00 0.00 H ATOM 130 C12 LOP C 314 59.266 46.088 27.754 1.00 0.00 ATOM 131 O4 LOP C 314 60.647 45.837 27.662 1.00 0.00 O ATOM 132 C10 LOP C 314 61.396 47.007 27.412 1.00 0.00 ATOM 133 O3 LOP C 314 62.618 46.979 27.249 1.00 0.00 ATOM 134 C13 LOP C 314 58.397 45.123 28.069 1.00 0.00 C ATOM 135 H13 LOP C 314 58.870 44.155 28.354 1.00 0.00 H ATOM 136 C14 LOP C 314 56.951 45.239 28.019 1.00 0.00 C ATOM 137 CM4 LOP C 314 56.345 45.541 26.702 1.00 0.00 C ATOM 138 H8W LOP C 314 55.225 45.572 26.635 1.00 0.00 H ATOM 139 H8X LOP C 314 56.645 44.730 25.995 1.00 0.00 H ATOM 140 HM4 LOP C 314 56.802 46.477 26.279 1.00 0.00 H ATOM 141 C15 LOP C 314 56.307 45.158 29.212 1.00 0.00 C ATOM 142 H15 LOP C 314 56.710 45.661 30.115 1.00 0.00 H ATOM 143 C16 LOP C 314 55.016 44.578 29.469 1.00 0.00 C ATOM 144 H16 LOP C 314 55.043 43.486 29.553 1.00 0.00 H ATOM 145 C17 LOP C 314 53.963 45.394 29.701 1.00 0.00 C ATOM 146 H17 LOP C 314 54.105 46.482 29.776 1.00 0.00 H ATOM 147 C18 LOP C 314 52.703 44.752 29.968 1.00 0.00 C ATOM 148 H18 LOP C 314 52.786 43.720 30.333 1.00 0.00 H ATOM 149 C19 LOP C 314 51.727 45.589 30.396 1.00 0.00 C ATOM 150 H19 LOP C 314 51.955 46.632 30.650 1.00 0.00 H ATOM 151 C20 LOP C 314 50.477 44.982 30.778 1.00 0.00 C ATOM 152 H20 LOP C 314 50.302 43.996 30.330 1.00 0.00 H ATOM 153 C21 LOP C 314 49.651 45.449 31.744 1.00 0.00 C ATOM 154 CM5 LOP C 314 49.883 46.775 32.365 1.00 0.00 C ATOM 155 H8Y LOP C 314 49.116 47.136 33.091 1.00 0.00 H ATOM 156 H8Z LOP C 314 49.955 47.541 31.554 1.00 0.00 H ATOM 157 HM5 LOP C 314 50.855 46.812 32.935 1.00 0.00 H ATOM 158 C22 LOP C 314 48.494 44.630 32.095 1.00 0.00 C ATOM 159 H8L LOP C 314 48.612 43.539 32.221 1.00 0.00 H ATOM 160 C23 LOP C 314 47.314 45.120 32.405 1.00 0.00 C ATOM 161 C24 LOP C 314 46.273 45.865 32.677 1.00 0.00 C ATOM 162 C25 LOP C 314 45.614 45.847 34.027 1.00 0.00 C ATOM 163 CM6 LOP C 314 45.563 44.427 34.591 1.00 0.00 C ATOM 164 HM6 LOP C 314 44.820 43.752 34.094 1.00 0.00 H ATOM 165 H80 LOP C 314 45.200 44.397 35.658 1.00 0.00 H ATOM 166 H81 LOP C 314 46.523 43.865 34.467 1.00 0.00 H ATOM 167 CM7 LOP C 314 46.545 46.736 34.860 1.00 0.00 C ATOM 168 H82 LOP C 314 46.507 47.787 34.466 1.00 0.00 H ATOM 169 H83 LOP C 314 47.629 46.470 34.752 1.00 0.00 H ATOM 170 HM7 LOP C 314 46.229 46.884 35.921 1.00 0.00 H ATOM 171 C26 LOP C 314 44.149 46.263 34.107 1.00 0.00 C ATOM 172 H26 LOP C 314 43.356 45.525 33.828 1.00 0.00 H ATOM 173 H8M LOP C 314 43.924 46.575 35.157 1.00 0.00 H ATOM 174 C27 LOP C 314 43.862 47.468 33.223 1.00 0.00 C ATOM 175 H27 LOP C 314 44.406 48.373 33.643 1.00 0.00 H ATOM 176 O6 LOP C 314 42.451 47.673 33.087 1.00 0.00 O ATOM 177 C30 LOP C 314 41.866 48.741 33.673 1.00 0.00 ATOM 178 O7 LOP C 314 42.466 49.642 34.267 1.00 0.00 ATOM 179 C31 LOP C 314 40.383 48.611 33.611 1.00 0.00 C ATOM 180 H8O LOP C 314 40.119 47.729 34.248 1.00 0.00 H ATOM 181 H8P LOP C 314 40.078 48.533 32.535 1.00 0.00 H ATOM 182 H31 LOP C 314 39.969 49.561 34.052 1.00 0.00 H ATOM 183 C28 LOP C 314 44.354 47.200 31.809 1.00 0.00 C ATOM 184 H28 LOP C 314 43.834 46.311 31.383 1.00 0.00 H ATOM 185 H8N LOP C 314 44.121 48.144 31.252 1.00 0.00 H ATOM 186 C29 LOP C 314 45.873 46.983 31.728 1.00 0.00 C ATOM 187 O5 LOP C 314 46.554 48.191 32.070 1.00 0.00 ATOM 188 H5 LOP C 314 46.794 48.321 32.997 1.00 0.00 ATOM 189 CM8 LOP C 314 46.126 46.730 30.228 1.00 0.00 C ATOM 190 H84 LOP C 314 45.691 47.585 29.656 1.00 0.00 H ATOM 191 H85 LOP C 314 45.643 45.726 30.112 1.00 0.00 H ATOM 192 HM8 LOP C 314 47.228 46.679 30.059 1.00 0.00 H ATOM 193 H23 LOP D 315 64.373 40.421 23.563 1.00 0.00 ATOM 194 O2 LOP D 315 64.547 39.609 23.068 1.00 0.00 ATOM 195 C3 LOP D 315 63.677 38.567 23.516 1.00 0.00 C ATOM 196 H3 LOP D 315 62.664 38.913 23.179 1.00 0.00 H ATOM 197 C2 LOP D 315 63.897 37.218 22.845 1.00 0.00 C ATOM 198 H21 LOP D 315 63.378 37.311 21.852 1.00 0.00 H ATOM 199 H22 LOP D 315 65.005 37.155 22.723 1.00 0.00 H ATOM 200 C1 LOP D 315 63.283 36.041 23.550 1.00 0.00 C ATOM 201 CM1 LOP D 315 62.952 34.953 22.579 1.00 0.00 C ATOM 202 H8Q LOP D 315 63.728 34.873 21.776 1.00 0.00 H ATOM 203 H8R LOP D 315 61.972 35.145 22.069 1.00 0.00 H ATOM 204 HM1 LOP D 315 62.861 34.010 23.183 1.00 0.00 H ATOM 205 C6 LOP D 315 62.868 36.097 25.005 1.00 0.00 C ATOM 206 O1 LOP D 315 64.172 35.623 24.613 1.00 0.00 O ATOM 207 C5 LOP D 315 62.853 37.423 25.749 1.00 0.00 C ATOM 208 C4 LOP D 315 63.685 38.482 25.038 1.00 0.00 C ATOM 209 H41 LOP D 315 63.400 39.505 25.396 1.00 0.00 H ATOM 210 H42 LOP D 315 64.734 38.222 25.346 1.00 0.00 H ATOM 211 CM3 LOP D 315 63.424 37.218 27.145 1.00 0.00 C ATOM 212 H8U LOP D 315 64.408 36.678 27.194 1.00 0.00 H ATOM 213 H8V LOP D 315 62.694 36.577 27.706 1.00 0.00 H ATOM 214 HM3 LOP D 315 63.524 38.189 27.703 1.00 0.00 H ATOM 215 CM2 LOP D 315 61.476 38.054 25.942 1.00 0.00 C ATOM 216 H8S LOP D 315 61.565 39.032 26.482 1.00 0.00 H ATOM 217 H8T LOP D 315 60.654 37.435 26.378 1.00 0.00 H ATOM 218 HM2 LOP D 315 61.139 38.286 24.901 1.00 0.00 H ATOM 219 C7 LOP D 315 61.926 35.112 25.580 1.00 0.00 C ATOM 220 H7 LOP D 315 62.194 34.716 26.573 1.00 0.00 H ATOM 221 C8 LOP D 315 60.755 34.716 25.050 1.00 0.00 C ATOM 222 H8 LOP D 315 60.593 34.799 23.953 1.00 0.00 H ATOM 223 C9 LOP D 315 59.606 34.275 25.798 1.00 0.00 ATOM 224 C11 LOP D 315 58.528 33.728 25.182 1.00 0.00 ATOM 225 H11 LOP D 315 58.257 33.760 24.121 1.00 0.00 H ATOM 226 C12 LOP D 315 57.505 33.339 26.171 1.00 0.00 ATOM 227 O4 LOP D 315 58.076 33.684 27.406 1.00 0.00 O ATOM 228 C10 LOP D 315 59.346 34.283 27.257 1.00 0.00 ATOM 229 O3 LOP D 315 59.993 34.535 28.275 1.00 0.00 ATOM 230 C13 LOP D 315 56.256 32.919 25.931 1.00 0.00 C ATOM 231 H13 LOP D 315 55.969 32.852 24.860 1.00 0.00 H ATOM 232 C14 LOP D 315 55.272 32.794 26.983 1.00 0.00 C ATOM 233 CM4 LOP D 315 55.537 31.777 28.026 1.00 0.00 C ATOM 234 H8W LOP D 315 55.438 32.174 29.073 1.00 0.00 H ATOM 235 H8X LOP D 315 56.502 31.222 27.925 1.00 0.00 H ATOM 236 HM4 LOP D 315 54.726 31.009 27.911 1.00 0.00 H ATOM 237 C15 LOP D 315 54.171 33.590 26.914 1.00 0.00 C ATOM 238 H15 LOP D 315 53.821 33.920 25.912 1.00 0.00 H ATOM 239 C16 LOP D 315 53.192 33.757 27.951 1.00 0.00 C ATOM 240 H16 LOP D 315 53.431 33.587 29.009 1.00 0.00 H ATOM 241 C17 LOP D 315 51.988 34.232 27.544 1.00 0.00 C ATOM 242 H17 LOP D 315 51.406 33.746 26.752 1.00 0.00 H ATOM 243 C18 LOP D 315 51.517 35.460 28.120 1.00 0.00 C ATOM 244 H18 LOP D 315 52.223 36.194 28.543 1.00 0.00 H ATOM 245 C19 LOP D 315 50.184 35.524 28.325 1.00 0.00 C ATOM 246 H19 LOP D 315 49.503 34.822 27.819 1.00 0.00 H ATOM 247 C20 LOP D 315 49.666 36.442 29.310 1.00 0.00 C ATOM 248 H20 LOP D 315 50.377 36.982 29.950 1.00 0.00 H ATOM 249 C21 LOP D 315 48.351 36.580 29.591 1.00 0.00 C ATOM 250 CM5 LOP D 315 48.013 37.505 30.695 1.00 0.00 C ATOM 251 H8Y LOP D 315 48.752 37.485 31.537 1.00 0.00 H ATOM 252 H8Z LOP D 315 46.981 37.269 31.059 1.00 0.00 H ATOM 253 HM5 LOP D 315 48.010 38.565 30.313 1.00 0.00 H ATOM 254 C22 LOP D 315 47.342 35.707 29.000 1.00 0.00 C ATOM 255 H8L LOP D 315 47.565 35.319 27.989 1.00 0.00 H ATOM 256 C23 LOP D 315 46.138 35.508 29.480 1.00 0.00 C ATOM 257 C24 LOP D 315 45.149 35.187 30.280 1.00 0.00 C ATOM 258 C25 LOP D 315 45.292 34.049 31.254 1.00 0.00 C ATOM 259 CM6 LOP D 315 46.019 32.859 30.610 1.00 0.00 C ATOM 260 HM6 LOP D 315 45.475 32.714 29.639 1.00 0.00 H ATOM 261 H80 LOP D 315 45.867 31.918 31.195 1.00 0.00 H ATOM 262 H81 LOP D 315 47.093 33.047 30.395 1.00 0.00 H ATOM 263 CM7 LOP D 315 46.197 34.566 32.367 1.00 0.00 C ATOM 264 H82 LOP D 315 45.554 35.162 33.055 1.00 0.00 H ATOM 265 H83 LOP D 315 47.033 35.233 32.027 1.00 0.00 H ATOM 266 HM7 LOP D 315 46.747 33.848 33.030 1.00 0.00 H ATOM 267 C26 LOP D 315 44.026 33.492 31.904 1.00 0.00 C ATOM 268 H26 LOP D 315 44.208 33.334 33.001 1.00 0.00 H ATOM 269 H8M LOP D 315 43.687 32.522 31.481 1.00 0.00 H ATOM 270 C27 LOP D 315 42.857 34.455 31.897 1.00 0.00 C ATOM 271 H27 LOP D 315 42.986 35.189 32.756 1.00 0.00 H ATOM 272 O6 LOP D 315 41.726 33.603 32.153 1.00 0.00 O ATOM 273 C30 LOP D 315 40.655 34.133 32.792 1.00 0.00 ATOM 274 O7 LOP D 315 40.423 35.335 32.859 1.00 0.00 ATOM 275 C31 LOP D 315 39.597 33.213 33.286 1.00 0.00 C ATOM 276 H8O LOP D 315 38.768 33.697 33.863 1.00 0.00 H ATOM 277 H8P LOP D 315 40.078 32.418 33.923 1.00 0.00 H ATOM 278 H31 LOP D 315 39.083 32.745 32.407 1.00 0.00 H ATOM 279 C28 LOP D 315 42.645 35.260 30.621 1.00 0.00 C ATOM 280 H28 LOP D 315 41.856 36.015 30.843 1.00 0.00 H ATOM 281 H8N LOP D 315 42.351 34.584 29.772 1.00 0.00 H ATOM 282 C29 LOP D 315 43.896 36.047 30.238 1.00 0.00 C ATOM 283 O5 LOP D 315 44.060 37.137 31.142 1.00 0.00 ATOM 284 H5 LOP D 315 44.994 37.406 31.219 1.00 0.00 ATOM 285 CM8 LOP D 315 43.597 36.741 28.904 1.00 0.00 C ATOM 286 H84 LOP D 315 44.411 37.471 28.692 1.00 0.00 H ATOM 287 H85 LOP D 315 42.628 37.281 28.786 1.00 0.00 H ATOM 288 HM8 LOP D 315 43.657 36.004 28.055 1.00 0.00 H ATOM 289 H23 LOP E 316 61.157 33.235 21.647 1.00 0.00 ATOM 290 O2 LOP E 316 61.386 32.697 20.873 1.00 0.00 ATOM 291 C3 LOP E 316 61.283 31.286 21.012 1.00 0.00 C ATOM 292 H3 LOP E 316 61.564 30.825 20.019 1.00 0.00 H ATOM 293 C2 LOP E 316 59.856 30.894 21.352 1.00 0.00 C ATOM 294 H21 LOP E 316 59.301 31.863 21.402 1.00 0.00 H ATOM 295 H22 LOP E 316 59.410 30.301 20.507 1.00 0.00 H ATOM 296 C1 LOP E 316 59.489 30.076 22.563 1.00 0.00 C ATOM 297 CM1 LOP E 316 58.084 30.340 22.995 1.00 0.00 C ATOM 298 H8Q LOP E 316 57.697 29.486 23.623 1.00 0.00 H ATOM 299 H8R LOP E 316 57.519 30.437 22.041 1.00 0.00 H ATOM 300 HM1 LOP E 316 58.053 31.317 23.539 1.00 0.00 H ATOM 301 C6 LOP E 316 60.531 29.671 23.576 1.00 0.00 C ATOM 302 O1 LOP E 316 60.016 28.737 22.608 1.00 0.00 O ATOM 303 C5 LOP E 316 61.945 30.187 23.336 1.00 0.00 C ATOM 304 C4 LOP E 316 62.282 30.562 21.885 1.00 0.00 C ATOM 305 H41 LOP E 316 63.223 31.160 21.956 1.00 0.00 H ATOM 306 H42 LOP E 316 62.543 29.618 21.343 1.00 0.00 H ATOM 307 CM3 LOP E 316 62.990 29.142 23.728 1.00 0.00 C ATOM 308 H8U LOP E 316 63.101 29.033 24.832 1.00 0.00 H ATOM 309 H8V LOP E 316 64.014 29.400 23.345 1.00 0.00 H ATOM 310 HM3 LOP E 316 62.627 28.175 23.287 1.00 0.00 H ATOM 311 CM2 LOP E 316 62.342 31.378 24.190 1.00 0.00 C ATOM 312 H8S LOP E 316 63.426 31.584 24.037 1.00 0.00 H ATOM 313 H8T LOP E 316 62.217 31.114 25.266 1.00 0.00 H ATOM 314 HM2 LOP E 316 61.717 32.247 23.857 1.00 0.00 H ATOM 315 C7 LOP E 316 60.195 29.247 24.955 1.00 0.00 C ATOM 316 H7 LOP E 316 60.235 28.144 25.115 1.00 0.00 H ATOM 317 C8 LOP E 316 59.659 30.071 25.872 1.00 0.00 C ATOM 318 H8 LOP E 316 59.592 31.145 25.626 1.00 0.00 H ATOM 319 C9 LOP E 316 59.145 29.781 27.180 1.00 0.00 ATOM 320 C11 LOP E 316 59.341 30.666 28.197 1.00 0.00 ATOM 321 H11 LOP E 316 59.953 31.558 28.179 1.00 0.00 H ATOM 322 C12 LOP E 316 58.513 30.305 29.355 1.00 0.00 ATOM 323 O4 LOP E 316 57.837 29.087 29.095 1.00 0.00 O ATOM 324 C10 LOP E 316 58.197 28.791 27.767 1.00 0.00 ATOM 325 O3 LOP E 316 57.403 27.989 27.290 1.00 0.00 ATOM 326 C13 LOP E 316 58.600 30.876 30.567 1.00 0.00 C ATOM 327 H13 LOP E 316 58.927 31.930 30.619 1.00 0.00 H ATOM 328 C14 LOP E 316 58.171 30.272 31.812 1.00 0.00 C ATOM 329 CM4 LOP E 316 57.210 29.143 31.917 1.00 0.00 C ATOM 330 H8W LOP E 316 57.593 28.235 31.380 1.00 0.00 H ATOM 331 H8X LOP E 316 56.241 29.511 31.493 1.00 0.00 H ATOM 332 HM4 LOP E 316 57.113 28.800 32.970 1.00 0.00 H ATOM 333 C15 LOP E 316 58.596 30.888 32.945 1.00 0.00 C ATOM 334 H15 LOP E 316 59.633 30.764 33.336 1.00 0.00 H ATOM 335 C16 LOP E 316 57.797 31.525 33.952 1.00 0.00 C ATOM 336 H16 LOP E 316 56.763 31.725 33.631 1.00 0.00 H ATOM 337 C17 LOP E 316 58.378 32.144 35.006 1.00 0.00 C ATOM 338 H17 LOP E 316 59.144 31.637 35.610 1.00 0.00 H ATOM 339 C18 LOP E 316 57.667 33.285 35.492 1.00 0.00 C ATOM 340 H18 LOP E 316 56.768 33.603 34.933 1.00 0.00 H ATOM 341 C19 LOP E 316 58.188 33.985 36.521 1.00 0.00 C ATOM 342 H19 LOP E 316 58.917 33.600 37.250 1.00 0.00 H ATOM 343 C20 LOP E 316 57.583 35.281 36.697 1.00 0.00 C ATOM 344 H20 LOP E 316 57.310 35.752 35.744 1.00 0.00 H ATOM 345 C21 LOP E 316 57.470 36.044 37.804 1.00 0.00 C ATOM 346 CM5 LOP E 316 57.012 35.441 39.079 1.00 0.00 C ATOM 347 H8Y LOP E 316 55.919 35.648 39.248 1.00 0.00 H ATOM 348 H8Z LOP E 316 57.502 35.912 39.956 1.00 0.00 H ATOM 349 HM5 LOP E 316 57.166 34.329 39.085 1.00 0.00 H ATOM 350 C22 LOP E 316 57.575 37.492 37.674 1.00 0.00 C ATOM 351 H8L LOP E 316 57.939 37.807 36.680 1.00 0.00 H ATOM 352 C23 LOP E 316 57.539 38.471 38.554 1.00 0.00 C ATOM 353 C24 LOP E 316 57.302 39.400 39.445 1.00 0.00 C ATOM 354 C25 LOP E 316 55.902 39.694 39.910 1.00 0.00 C ATOM 355 CM6 LOP E 316 54.792 38.903 39.218 1.00 0.00 C ATOM 356 HM6 LOP E 316 54.916 39.256 38.165 1.00 0.00 H ATOM 357 H80 LOP E 316 53.723 39.091 39.482 1.00 0.00 H ATOM 358 H81 LOP E 316 55.023 37.810 39.276 1.00 0.00 H ATOM 359 CM7 LOP E 316 55.730 39.299 41.376 1.00 0.00 C ATOM 360 H82 LOP E 316 56.490 39.809 42.024 1.00 0.00 H ATOM 361 H83 LOP E 316 55.883 38.192 41.452 1.00 0.00 H ATOM 362 HM7 LOP E 316 54.723 39.607 41.766 1.00 0.00 H ATOM 363 C26 LOP E 316 55.571 41.177 39.724 1.00 0.00 C ATOM 364 H26 LOP E 316 54.543 41.340 40.146 1.00 0.00 H ATOM 365 H8M LOP E 316 55.547 41.335 38.606 1.00 0.00 H ATOM 366 C27 LOP E 316 56.552 42.171 40.323 1.00 0.00 C ATOM 367 H27 LOP E 316 56.599 42.031 41.451 1.00 0.00 H ATOM 368 O6 LOP E 316 56.174 43.536 40.087 1.00 0.00 O ATOM 369 C30 LOP E 316 56.380 44.472 41.048 1.00 0.00 ATOM 370 O7 LOP E 316 56.748 44.198 42.185 1.00 0.00 ATOM 371 C31 LOP E 316 56.073 45.843 40.552 1.00 0.00 C ATOM 372 H8O LOP E 316 55.069 45.752 40.061 1.00 0.00 H ATOM 373 H8P LOP E 316 56.910 46.171 39.889 1.00 0.00 H ATOM 374 H31 LOP E 316 56.015 46.552 41.415 1.00 0.00 H ATOM 375 C28 LOP E 316 57.896 41.880 39.666 1.00 0.00 C ATOM 376 H28 LOP E 316 57.910 42.347 38.649 1.00 0.00 H ATOM 377 H8N LOP E 316 58.528 42.514 40.338 1.00 0.00 H ATOM 378 C29 LOP E 316 58.380 40.429 39.760 1.00 0.00 C ATOM 379 O5 LOP E 316 58.867 40.023 41.041 1.00 0.00 ATOM 380 H5 LOP E 316 59.035 40.688 41.726 1.00 0.00 ATOM 381 CM8 LOP E 316 59.661 40.389 38.927 1.00 0.00 C ATOM 382 H84 LOP E 316 59.343 40.631 37.874 1.00 0.00 H ATOM 383 H85 LOP E 316 60.000 39.327 38.864 1.00 0.00 H ATOM 384 HM8 LOP E 316 60.338 41.139 39.395 1.00 0.00 H ATOM 385 H23 LOP F 317 31.826 58.457 36.688 1.00 0.00 ATOM 386 O2 LOP F 317 30.921 58.388 36.354 1.00 0.00 ATOM 387 C3 LOP F 317 30.247 57.179 36.637 1.00 0.00 C ATOM 388 H3 LOP F 317 29.774 57.422 37.636 1.00 0.00 H ATOM 389 C2 LOP F 317 31.290 56.071 36.739 1.00 0.00 C ATOM 390 H21 LOP F 317 31.074 55.475 37.663 1.00 0.00 H ATOM 391 H22 LOP F 317 32.249 56.642 36.882 1.00 0.00 H ATOM 392 C1 LOP F 317 31.514 55.128 35.600 1.00 0.00 C ATOM 393 CM1 LOP F 317 32.889 54.530 35.665 1.00 0.00 C ATOM 394 H8Q LOP F 317 33.686 55.240 35.344 1.00 0.00 H ATOM 395 H8R LOP F 317 32.867 53.553 35.097 1.00 0.00 H ATOM 396 HM1 LOP F 317 33.019 54.286 36.749 1.00 0.00 H ATOM 397 C6 LOP F 317 30.680 55.129 34.353 1.00 0.00 C ATOM 398 O1 LOP F 317 30.446 54.178 35.418 1.00 0.00 O ATOM 399 C5 LOP F 317 29.819 56.373 34.186 1.00 0.00 C ATOM 400 C4 LOP F 317 29.262 56.856 35.526 1.00 0.00 C ATOM 401 H41 LOP F 317 28.472 56.147 35.893 1.00 0.00 H ATOM 402 H42 LOP F 317 28.710 57.815 35.327 1.00 0.00 H ATOM 403 CM3 LOP F 317 28.557 56.117 33.350 1.00 0.00 C ATOM 404 H8U LOP F 317 28.886 55.973 32.289 1.00 0.00 H ATOM 405 H8V LOP F 317 27.897 57.025 33.298 1.00 0.00 H ATOM 406 HM3 LOP F 317 27.999 55.206 33.672 1.00 0.00 H ATOM 407 CM2 LOP F 317 30.626 57.437 33.476 1.00 0.00 C ATOM 408 H8S LOP F 317 31.582 57.758 33.949 1.00 0.00 H ATOM 409 H8T LOP F 317 30.026 58.386 33.427 1.00 0.00 H ATOM 410 HM2 LOP F 317 30.901 57.217 32.413 1.00 0.00 H ATOM 411 C7 LOP F 317 31.012 54.501 33.054 1.00 0.00 C ATOM 412 H7 LOP F 317 30.014 54.095 32.800 1.00 0.00 H ATOM 413 C8 LOP F 317 32.162 54.147 32.456 1.00 0.00 C ATOM 414 H8 LOP F 317 33.104 54.205 33.046 1.00 0.00 H ATOM 415 C9 LOP F 317 32.190 53.488 31.189 1.00 0.00 ATOM 416 C11 LOP F 317 33.265 52.750 30.785 1.00 0.00 ATOM 417 H11 LOP F 317 34.129 52.259 31.239 1.00 0.00 H ATOM 418 C12 LOP F 317 33.077 52.427 29.363 1.00 0.00 ATOM 419 O4 LOP F 317 31.865 52.939 28.861 1.00 0.00 O ATOM 420 C10 LOP F 317 31.321 53.585 29.987 1.00 0.00 ATOM 421 O3 LOP F 317 30.162 53.962 29.750 1.00 0.00 ATOM 422 C13 LOP F 317 33.974 51.934 28.510 1.00 0.00 C ATOM 423 H13 LOP F 317 33.420 51.454 27.667 1.00 0.00 H ATOM 424 C14 LOP F 317 35.417 52.068 28.420 1.00 0.00 C ATOM 425 CM4 LOP F 317 36.110 52.989 29.345 1.00 0.00 C ATOM 426 H8W LOP F 317 35.717 54.035 29.351 1.00 0.00 H ATOM 427 H8X LOP F 317 37.187 53.006 29.043 1.00 0.00 H ATOM 428 HM4 LOP F 317 36.071 52.570 30.381 1.00 0.00 H ATOM 429 C15 LOP F 317 36.067 51.263 27.539 1.00 0.00 C ATOM 430 H15 LOP F 317 35.656 50.265 27.273 1.00 0.00 H ATOM 431 C16 LOP F 317 37.454 51.192 27.162 1.00 0.00 C ATOM 432 H16 LOP F 317 38.212 51.666 27.801 1.00 0.00 H ATOM 433 C17 LOP F 317 37.888 50.539 26.058 1.00 0.00 C ATOM 434 H17 LOP F 317 37.055 50.186 25.432 1.00 0.00 H ATOM 435 C18 LOP F 317 39.287 50.316 25.802 1.00 0.00 C ATOM 436 H18 LOP F 317 39.937 49.965 26.619 1.00 0.00 H ATOM 437 C19 LOP F 317 39.788 50.498 24.564 1.00 0.00 C ATOM 438 H19 LOP F 317 39.172 50.797 23.705 1.00 0.00 H ATOM 439 C20 LOP F 317 41.211 50.374 24.348 1.00 0.00 C ATOM 440 H20 LOP F 317 41.696 49.837 25.181 1.00 0.00 H ATOM 441 C21 LOP F 317 41.818 50.804 23.221 1.00 0.00 C ATOM 442 CM5 LOP F 317 41.427 52.072 22.581 1.00 0.00 C ATOM 443 H8Y LOP F 317 41.530 52.028 21.462 1.00 0.00 H ATOM 444 H8Z LOP F 317 42.023 52.919 23.005 1.00 0.00 H ATOM 445 HM5 LOP F 317 40.342 52.300 22.755 1.00 0.00 H ATOM 446 C22 LOP F 317 42.977 50.060 22.726 1.00 0.00 C ATOM 447 H8L LOP F 317 43.438 50.443 21.798 1.00 0.00 H ATOM 448 C23 LOP F 317 43.634 49.072 23.288 1.00 0.00 C ATOM 449 C24 LOP F 317 44.318 48.133 23.892 1.00 0.00 C ATOM 450 C25 LOP F 317 45.794 48.267 24.197 1.00 0.00 C ATOM 451 CM6 LOP F 317 46.481 49.156 23.167 1.00 0.00 C ATOM 452 HM6 LOP F 317 46.156 50.224 23.248 1.00 0.00 H ATOM 453 H80 LOP F 317 46.339 48.778 22.121 1.00 0.00 H ATOM 454 H81 LOP F 317 47.574 49.141 23.371 1.00 0.00 H ATOM 455 CM7 LOP F 317 45.933 48.947 25.558 1.00 0.00 C ATOM 456 H82 LOP F 317 45.506 48.329 26.393 1.00 0.00 H ATOM 457 H83 LOP F 317 45.388 49.934 25.577 1.00 0.00 H ATOM 458 HM7 LOP F 317 46.965 49.243 25.860 1.00 0.00 H ATOM 459 C26 LOP F 317 46.522 46.925 24.073 1.00 0.00 C ATOM 460 H26 LOP F 317 46.703 46.612 23.010 1.00 0.00 H ATOM 461 H8M LOP F 317 47.549 46.972 24.521 1.00 0.00 H ATOM 462 C27 LOP F 317 45.783 45.822 24.805 1.00 0.00 C ATOM 463 H27 LOP F 317 45.682 46.023 25.912 1.00 0.00 H ATOM 464 O6 LOP F 317 46.531 44.608 24.614 1.00 0.00 O ATOM 465 C30 LOP F 317 47.462 44.275 25.550 1.00 0.00 ATOM 466 O7 LOP F 317 47.576 44.812 26.649 1.00 0.00 ATOM 467 C31 LOP F 317 48.169 43.061 25.046 1.00 0.00 C ATOM 468 H8O LOP F 317 49.122 42.965 25.613 1.00 0.00 H ATOM 469 H8P LOP F 317 48.396 43.236 23.967 1.00 0.00 H ATOM 470 H31 LOP F 317 47.510 42.156 25.181 1.00 0.00 H ATOM 471 C28 LOP F 317 44.442 45.618 24.125 1.00 0.00 C ATOM 472 H28 LOP F 317 44.586 45.568 23.014 1.00 0.00 H ATOM 473 H8N LOP F 317 43.961 44.686 24.531 1.00 0.00 H ATOM 474 C29 LOP F 317 43.602 46.878 24.346 1.00 0.00 C ATOM 475 O5 LOP F 317 43.411 46.922 25.769 1.00 0.00 ATOM 476 H5 LOP F 317 42.829 47.688 25.931 1.00 0.00 ATOM 477 CM8 LOP F 317 42.255 46.611 23.677 1.00 0.00 C ATOM 478 H84 LOP F 317 41.753 45.715 24.132 1.00 0.00 H ATOM 479 H85 LOP F 317 42.475 46.435 22.593 1.00 0.00 H ATOM 480 HM8 LOP F 317 41.582 47.497 23.794 1.00 0.00 H ATOM 481 H23 LOP G 318 48.245 61.982 31.894 1.00 0.00 ATOM 482 O2 LOP G 318 48.720 62.705 31.457 1.00 0.00 ATOM 483 C3 LOP G 318 48.975 62.345 30.104 1.00 0.00 C ATOM 484 H3 LOP G 318 49.470 63.284 29.715 1.00 0.00 H ATOM 485 C2 LOP G 318 47.600 62.075 29.521 1.00 0.00 C ATOM 486 H21 LOP G 318 47.384 62.842 28.722 1.00 0.00 H ATOM 487 H22 LOP G 318 46.844 62.204 30.339 1.00 0.00 H ATOM 488 C1 LOP G 318 47.292 60.729 28.940 1.00 0.00 C ATOM 489 CM1 LOP G 318 45.914 60.689 28.353 1.00 0.00 C ATOM 490 H8Q LOP G 318 45.661 61.606 27.756 1.00 0.00 H ATOM 491 H8R LOP G 318 45.155 60.581 29.170 1.00 0.00 H ATOM 492 HM1 LOP G 318 45.839 59.794 27.680 1.00 0.00 H ATOM 493 C6 LOP G 318 48.278 59.595 29.130 1.00 0.00 C ATOM 494 O1 LOP G 318 48.237 60.367 27.916 1.00 0.00 O ATOM 495 C5 LOP G 318 49.552 59.719 29.953 1.00 0.00 C ATOM 496 C4 LOP G 318 49.933 61.194 29.877 1.00 0.00 C ATOM 497 H41 LOP G 318 50.709 61.381 30.670 1.00 0.00 H ATOM 498 H42 LOP G 318 50.405 61.361 28.872 1.00 0.00 H ATOM 499 CM3 LOP G 318 50.804 58.949 29.530 1.00 0.00 C ATOM 500 H8U LOP G 318 51.640 59.093 30.263 1.00 0.00 H ATOM 501 H8V LOP G 318 51.077 59.059 28.450 1.00 0.00 H ATOM 502 HM3 LOP G 318 50.515 57.876 29.613 1.00 0.00 H ATOM 503 CM2 LOP G 318 49.362 59.392 31.426 1.00 0.00 C ATOM 504 H8S LOP G 318 48.787 60.170 31.992 1.00 0.00 H ATOM 505 H8T LOP G 318 50.315 59.296 32.010 1.00 0.00 H ATOM 506 HM2 LOP G 318 48.742 58.486 31.653 1.00 0.00 H ATOM 507 C7 LOP G 318 47.806 58.198 29.082 1.00 0.00 C ATOM 508 H7 LOP G 318 48.515 57.589 28.477 1.00 0.00 H ATOM 509 C8 LOP G 318 46.698 57.703 29.672 1.00 0.00 C ATOM 510 H8 LOP G 318 46.354 58.310 30.526 1.00 0.00 H ATOM 511 C9 LOP G 318 46.431 56.299 29.605 1.00 0.00 ATOM 512 C11 LOP G 318 47.219 55.278 29.176 1.00 0.00 ATOM 513 H11 LOP G 318 48.124 55.361 28.566 1.00 0.00 H ATOM 514 C12 LOP G 318 46.700 54.001 29.692 1.00 0.00 ATOM 515 O4 LOP G 318 45.598 54.312 30.519 1.00 0.00 O ATOM 516 C10 LOP G 318 45.305 55.674 30.355 1.00 0.00 ATOM 517 O3 LOP G 318 44.295 56.116 30.914 1.00 0.00 ATOM 518 C13 LOP G 318 47.001 52.844 29.096 1.00 0.00 C ATOM 519 H13 LOP G 318 47.723 52.929 28.251 1.00 0.00 H ATOM 520 C14 LOP G 318 46.738 51.506 29.574 1.00 0.00 C ATOM 521 CM4 LOP G 318 47.192 50.358 28.766 1.00 0.00 C ATOM 522 H8W LOP G 318 47.014 49.406 29.317 1.00 0.00 H ATOM 523 H8X LOP G 318 48.286 50.450 28.558 1.00 0.00 H ATOM 524 HM4 LOP G 318 46.616 50.320 27.804 1.00 0.00 H ATOM 525 C15 LOP G 318 45.978 51.367 30.689 1.00 0.00 C ATOM 526 H15 LOP G 318 46.279 51.925 31.604 1.00 0.00 H ATOM 527 C16 LOP G 318 44.672 50.830 31.001 1.00 0.00 C ATOM 528 H16 LOP G 318 44.563 50.562 32.066 1.00 0.00 H ATOM 529 C17 LOP G 318 43.710 50.716 30.072 1.00 0.00 C ATOM 530 H17 LOP G 318 43.982 50.893 29.022 1.00 0.00 H ATOM 531 C18 LOP G 318 42.397 50.387 30.577 1.00 0.00 C ATOM 532 H18 LOP G 318 42.288 50.199 31.654 1.00 0.00 H ATOM 533 C19 LOP G 318 41.358 50.157 29.737 1.00 0.00 C ATOM 534 H19 LOP G 318 41.576 49.988 28.664 1.00 0.00 H ATOM 535 C20 LOP G 318 40.015 49.907 30.172 1.00 0.00 C ATOM 536 H20 LOP G 318 39.715 50.657 30.919 1.00 0.00 H ATOM 537 C21 LOP G 318 39.227 48.868 29.816 1.00 0.00 C ATOM 538 CM5 LOP G 318 37.773 48.792 30.087 1.00 0.00 C ATOM 539 H8Y LOP G 318 37.167 48.875 29.151 1.00 0.00 H ATOM 540 H8Z LOP G 318 37.342 49.587 30.753 1.00 0.00 H ATOM 541 HM5 LOP G 318 37.504 47.796 30.518 1.00 0.00 H ATOM 542 C22 LOP G 318 39.727 47.717 29.079 1.00 0.00 C ATOM 543 H8L LOP G 318 39.499 47.676 27.995 1.00 0.00 H ATOM 544 C23 LOP G 318 40.286 46.624 29.530 1.00 0.00 C ATOM 545 C24 LOP G 318 40.650 45.402 29.826 1.00 0.00 C ATOM 546 C25 LOP G 318 41.385 44.607 28.777 1.00 0.00 C ATOM 547 CM6 LOP G 318 42.883 44.842 28.953 1.00 0.00 C ATOM 548 HM6 LOP G 318 43.387 44.214 28.179 1.00 0.00 H ATOM 549 H80 LOP G 318 43.224 44.661 30.002 1.00 0.00 H ATOM 550 H81 LOP G 318 43.114 45.928 28.799 1.00 0.00 H ATOM 551 CM7 LOP G 318 41.241 45.043 27.320 1.00 0.00 C ATOM 552 H82 LOP G 318 41.430 46.116 27.090 1.00 0.00 H ATOM 553 H83 LOP G 318 40.166 45.006 27.015 1.00 0.00 H ATOM 554 HM7 LOP G 318 41.906 44.608 26.523 1.00 0.00 H ATOM 555 C26 LOP G 318 41.081 43.107 28.902 1.00 0.00 C ATOM 556 H26 LOP G 318 41.608 42.495 28.121 1.00 0.00 H ATOM 557 H8M LOP G 318 39.985 43.008 28.694 1.00 0.00 H ATOM 558 C27 LOP G 318 41.250 42.666 30.343 1.00 0.00 C ATOM 559 H27 LOP G 318 42.281 42.806 30.784 1.00 0.00 H ATOM 560 O6 LOP G 318 40.872 41.283 30.412 1.00 0.00 O ATOM 561 C30 LOP G 318 41.840 40.333 30.316 1.00 0.00 ATOM 562 O7 LOP G 318 42.768 40.370 29.518 1.00 0.00 ATOM 563 C31 LOP G 318 41.495 39.124 31.120 1.00 0.00 C ATOM 564 H8O LOP G 318 40.534 39.290 31.659 1.00 0.00 H ATOM 565 H8P LOP G 318 42.282 38.992 31.906 1.00 0.00 H ATOM 566 H31 LOP G 318 41.465 38.188 30.509 1.00 0.00 H ATOM 567 C28 LOP G 318 40.259 43.352 31.268 1.00 0.00 C ATOM 568 H28 LOP G 318 40.375 42.942 32.294 1.00 0.00 H ATOM 569 H8N LOP G 318 39.256 43.059 30.861 1.00 0.00 H ATOM 570 C29 LOP G 318 40.404 44.879 31.243 1.00 0.00 C ATOM 571 O5 LOP G 318 41.562 45.193 32.015 1.00 0.00 ATOM 572 H5 LOP G 318 41.858 46.101 31.851 1.00 0.00 ATOM 573 CM8 LOP G 318 39.163 45.462 31.904 1.00 0.00 C ATOM 574 H84 LOP G 318 38.289 44.781 31.741 1.00 0.00 H ATOM 575 H85 LOP G 318 38.745 46.463 31.617 1.00 0.00 H ATOM 576 HM8 LOP G 318 39.291 45.407 33.016 1.00 0.00 H ATOM 577 H23 LOP H 319 26.274 55.814 34.428 1.00 0.00 ATOM 578 O2 LOP H 319 26.052 56.534 35.044 1.00 0.00 ATOM 579 C3 LOP H 319 25.307 56.173 36.198 1.00 0.00 C ATOM 580 H3 LOP H 319 24.396 56.819 35.986 1.00 0.00 H ATOM 581 C2 LOP H 319 25.959 56.483 37.530 1.00 0.00 C ATOM 582 H21 LOP H 319 25.439 57.194 38.217 1.00 0.00 H ATOM 583 H22 LOP H 319 26.811 57.084 37.108 1.00 0.00 H ATOM 584 C1 LOP H 319 26.498 55.352 38.343 1.00 0.00 C ATOM 585 CM1 LOP H 319 27.581 55.770 39.298 1.00 0.00 C ATOM 586 H8Q LOP H 319 27.513 56.879 39.455 1.00 0.00 H ATOM 587 H8R LOP H 319 28.564 55.465 38.872 1.00 0.00 H ATOM 588 HM1 LOP H 319 27.347 55.266 40.273 1.00 0.00 H ATOM 589 C6 LOP H 319 26.294 53.932 37.867 1.00 0.00 C ATOM 590 O1 LOP H 319 25.549 54.466 38.968 1.00 0.00 O ATOM 591 C5 LOP H 319 25.553 53.618 36.569 1.00 0.00 C ATOM 592 C4 LOP H 319 24.645 54.802 36.244 1.00 0.00 C ATOM 593 H41 LOP H 319 23.992 54.840 37.151 1.00 0.00 H ATOM 594 H42 LOP H 319 24.017 54.725 35.324 1.00 0.00 H ATOM 595 CM3 LOP H 319 24.770 52.311 36.723 1.00 0.00 C ATOM 596 H8U LOP H 319 25.402 51.403 36.914 1.00 0.00 H ATOM 597 H8V LOP H 319 24.453 52.164 35.670 1.00 0.00 H ATOM 598 HM3 LOP H 319 23.855 52.297 37.369 1.00 0.00 H ATOM 599 CM2 LOP H 319 26.649 53.501 35.524 1.00 0.00 C ATOM 600 H8S LOP H 319 27.289 54.421 35.539 1.00 0.00 H ATOM 601 H8T LOP H 319 26.264 53.332 34.488 1.00 0.00 H ATOM 602 HM2 LOP H 319 27.263 52.598 35.744 1.00 0.00 H ATOM 603 C7 LOP H 319 27.189 52.845 38.323 1.00 0.00 C ATOM 604 H7 LOP H 319 26.476 52.429 39.070 1.00 0.00 H ATOM 605 C8 LOP H 319 28.499 52.601 38.160 1.00 0.00 C ATOM 606 H8 LOP H 319 29.080 53.361 37.595 1.00 0.00 H ATOM 607 C9 LOP H 319 29.104 51.427 38.705 1.00 0.00 ATOM 608 C11 LOP H 319 30.448 51.320 38.857 1.00 0.00 ATOM 609 H11 LOP H 319 31.164 52.123 39.037 1.00 0.00 H ATOM 610 C12 LOP H 319 30.851 49.905 38.946 1.00 0.00 ATOM 611 O4 LOP H 319 29.629 49.213 38.888 1.00 0.00 O ATOM 612 C10 LOP H 319 28.505 50.071 38.820 1.00 0.00 ATOM 613 O3 LOP H 319 27.360 49.615 38.747 1.00 0.00 ATOM 614 C13 LOP H 319 32.035 49.442 38.524 1.00 0.00 C ATOM 615 H13 LOP H 319 32.568 50.085 37.799 1.00 0.00 H ATOM 616 C14 LOP H 319 32.625 48.183 38.948 1.00 0.00 C ATOM 617 CM4 LOP H 319 32.617 47.895 40.404 1.00 0.00 C ATOM 618 H8W LOP H 319 33.575 48.113 40.948 1.00 0.00 H ATOM 619 H8X LOP H 319 32.484 46.786 40.457 1.00 0.00 H ATOM 620 HM4 LOP H 319 31.773 48.340 40.989 1.00 0.00 H ATOM 621 C15 LOP H 319 33.533 47.721 38.046 1.00 0.00 C ATOM 622 H15 LOP H 319 33.397 47.958 36.974 1.00 0.00 H ATOM 623 C16 LOP H 319 34.687 46.909 38.343 1.00 0.00 C ATOM 624 H16 LOP H 319 34.875 46.632 39.397 1.00 0.00 H ATOM 625 C17 LOP H 319 35.529 46.462 37.393 1.00 0.00 C ATOM 626 H17 LOP H 319 36.214 47.230 36.997 1.00 0.00 H ATOM 627 C18 LOP H 319 35.809 45.048 37.302 1.00 0.00 C ATOM 628 H18 LOP H 319 35.213 44.288 37.826 1.00 0.00 H ATOM 629 C19 LOP H 319 36.926 44.681 36.640 1.00 0.00 C ATOM 630 H19 LOP H 319 37.327 45.351 35.876 1.00 0.00 H ATOM 631 C20 LOP H 319 37.684 43.538 37.076 1.00 0.00 C ATOM 632 H20 LOP H 319 37.690 43.345 38.160 1.00 0.00 H ATOM 633 C21 LOP H 319 38.523 42.837 36.294 1.00 0.00 C ATOM 634 CM5 LOP H 319 38.708 43.073 34.845 1.00 0.00 C ATOM 635 H8Y LOP H 319 39.070 44.110 34.627 1.00 0.00 H ATOM 636 H8Z LOP H 319 37.829 42.927 34.175 1.00 0.00 H ATOM 637 HM5 LOP H 319 39.525 42.383 34.497 1.00 0.00 H ATOM 638 C22 LOP H 319 39.335 41.799 36.937 1.00 0.00 C ATOM 639 H8L LOP H 319 39.161 41.541 37.995 1.00 0.00 H ATOM 640 C23 LOP H 319 40.042 40.907 36.295 1.00 0.00 C ATOM 641 C24 LOP H 319 40.718 39.805 36.089 1.00 0.00 C ATOM 642 C25 LOP H 319 39.969 38.511 36.307 1.00 0.00 C ATOM 643 CM6 LOP H 319 38.838 38.539 37.346 1.00 0.00 C ATOM 644 HM6 LOP H 319 38.035 39.279 37.101 1.00 0.00 H ATOM 645 H80 LOP H 319 39.179 38.582 38.414 1.00 0.00 H ATOM 646 H81 LOP H 319 38.270 37.584 37.196 1.00 0.00 H ATOM 647 CM7 LOP H 319 39.431 38.178 34.916 1.00 0.00 C ATOM 648 H82 LOP H 319 38.980 37.170 34.812 1.00 0.00 H ATOM 649 H83 LOP H 319 40.191 38.220 34.086 1.00 0.00 H ATOM 650 HM7 LOP H 319 38.644 38.868 34.512 1.00 0.00 H ATOM 651 C26 LOP H 319 40.940 37.469 36.878 1.00 0.00 C ATOM 652 H26 LOP H 319 41.403 37.729 37.857 1.00 0.00 H ATOM 653 H8M LOP H 319 40.414 36.484 36.928 1.00 0.00 H ATOM 654 C27 LOP H 319 42.189 37.410 36.006 1.00 0.00 C ATOM 655 H27 LOP H 319 41.953 37.084 34.948 1.00 0.00 H ATOM 656 O6 LOP H 319 43.042 36.446 36.668 1.00 0.00 O ATOM 657 C30 LOP H 319 42.813 35.121 36.486 1.00 0.00 ATOM 658 O7 LOP H 319 41.903 34.669 35.796 1.00 0.00 ATOM 659 C31 LOP H 319 43.515 34.309 37.528 1.00 0.00 C ATOM 660 H8O LOP H 319 44.362 34.943 37.902 1.00 0.00 H ATOM 661 H8P LOP H 319 43.831 33.339 37.075 1.00 0.00 H ATOM 662 H31 LOP H 319 42.816 34.121 38.386 1.00 0.00 H ATOM 663 C28 LOP H 319 42.968 38.710 35.938 1.00 0.00 C ATOM 664 H28 LOP H 319 43.915 38.580 35.367 1.00 0.00 H ATOM 665 H8N LOP H 319 43.314 38.901 36.984 1.00 0.00 H ATOM 666 C29 LOP H 319 42.100 39.885 35.475 1.00 0.00 C ATOM 667 O5 LOP H 319 42.001 39.869 34.051 1.00 0.00 ATOM 668 H5 LOP H 319 41.395 40.567 33.783 1.00 0.00 ATOM 669 CM8 LOP H 319 42.839 41.217 35.682 1.00 0.00 C ATOM 670 H84 LOP H 319 43.825 41.105 35.163 1.00 0.00 H ATOM 671 H85 LOP H 319 42.874 41.252 36.809 1.00 0.00 H ATOM 672 HM8 LOP H 319 42.292 42.138 35.359 1.00 0.00 H ATOM 673 H23 LOP I 320 25.258 46.192 45.346 1.00 0.00 ATOM 674 O2 LOP I 320 25.852 46.838 44.928 1.00 0.00 ATOM 675 C3 LOP I 320 27.153 46.273 44.891 1.00 0.00 C ATOM 676 H3 LOP I 320 27.529 46.223 45.949 1.00 0.00 H ATOM 677 C2 LOP I 320 28.049 47.344 44.292 1.00 0.00 C ATOM 678 H21 LOP I 320 28.872 47.440 45.040 1.00 0.00 H ATOM 679 H22 LOP I 320 27.550 48.346 44.230 1.00 0.00 H ATOM 680 C1 LOP I 320 28.684 46.958 42.981 1.00 0.00 C ATOM 681 CM1 LOP I 320 29.166 48.185 42.265 1.00 0.00 C ATOM 682 H8Q LOP I 320 29.369 48.076 41.171 1.00 0.00 H ATOM 683 H8R LOP I 320 30.083 48.573 42.785 1.00 0.00 H ATOM 684 HM1 LOP I 320 28.354 48.940 42.418 1.00 0.00 H ATOM 685 C6 LOP I 320 28.473 45.651 42.260 1.00 0.00 C ATOM 686 O1 LOP I 320 29.654 45.904 43.049 1.00 0.00 O ATOM 687 C5 LOP I 320 27.454 44.670 42.811 1.00 0.00 C ATOM 688 C4 LOP I 320 27.296 44.872 44.322 1.00 0.00 C ATOM 689 H41 LOP I 320 28.249 44.487 44.765 1.00 0.00 H ATOM 690 H42 LOP I 320 26.409 44.303 44.701 1.00 0.00 H ATOM 691 CM3 LOP I 320 28.007 43.249 42.672 1.00 0.00 C ATOM 692 H8U LOP I 320 28.132 43.067 41.576 1.00 0.00 H ATOM 693 H8V LOP I 320 27.233 42.452 42.837 1.00 0.00 H ATOM 694 HM3 LOP I 320 29.032 43.139 43.114 1.00 0.00 H ATOM 695 CM2 LOP I 320 26.101 44.641 42.130 1.00 0.00 C ATOM 696 H8S LOP I 320 26.095 44.444 41.027 1.00 0.00 H ATOM 697 H8T LOP I 320 25.583 45.602 42.360 1.00 0.00 H ATOM 698 HM2 LOP I 320 25.339 43.939 42.573 1.00 0.00 H ATOM 699 C7 LOP I 320 28.500 45.703 40.781 1.00 0.00 C ATOM 700 H7 LOP I 320 27.643 46.344 40.524 1.00 0.00 H ATOM 701 C8 LOP I 320 29.498 45.529 39.901 1.00 0.00 C ATOM 702 H8 LOP I 320 30.454 45.930 40.293 1.00 0.00 H ATOM 703 C9 LOP I 320 29.224 45.316 38.516 1.00 0.00 ATOM 704 C11 LOP I 320 30.267 45.308 37.648 1.00 0.00 ATOM 705 H11 LOP I 320 31.321 45.519 37.830 1.00 0.00 H ATOM 706 C12 LOP I 320 29.752 44.953 36.316 1.00 0.00 ATOM 707 O4 LOP I 320 28.351 44.871 36.432 1.00 0.00 O ATOM 708 C10 LOP I 320 27.956 44.996 37.783 1.00 0.00 ATOM 709 O3 LOP I 320 26.800 44.726 38.084 1.00 0.00 ATOM 710 C13 LOP I 320 30.414 44.825 35.161 1.00 0.00 C ATOM 711 H13 LOP I 320 31.306 45.490 35.140 1.00 0.00 H ATOM 712 C14 LOP I 320 29.973 44.331 33.875 1.00 0.00 C ATOM 713 CM4 LOP I 320 28.776 43.468 33.801 1.00 0.00 C ATOM 714 H8W LOP I 320 27.825 44.027 34.011 1.00 0.00 H ATOM 715 H8X LOP I 320 28.747 42.586 34.494 1.00 0.00 H ATOM 716 HM4 LOP I 320 28.694 42.969 32.810 1.00 0.00 H ATOM 717 C15 LOP I 320 30.777 44.514 32.793 1.00 0.00 C ATOM 718 H15 LOP I 320 31.825 44.645 33.137 1.00 0.00 H ATOM 719 C16 LOP I 320 30.599 44.326 31.379 1.00 0.00 C ATOM 720 H16 LOP I 320 29.783 43.611 31.167 1.00 0.00 H ATOM 721 C17 LOP I 320 31.527 44.628 30.441 1.00 0.00 C ATOM 722 H17 LOP I 320 32.162 45.485 30.703 1.00 0.00 H ATOM 723 C18 LOP I 320 31.422 44.080 29.106 1.00 0.00 C ATOM 724 H18 LOP I 320 30.457 43.644 28.820 1.00 0.00 H ATOM 725 C19 LOP I 320 32.409 44.222 28.198 1.00 0.00 C ATOM 726 H19 LOP I 320 33.489 44.221 28.378 1.00 0.00 H ATOM 727 C20 LOP I 320 31.922 44.299 26.841 1.00 0.00 C ATOM 728 H20 LOP I 320 30.895 44.671 26.746 1.00 0.00 H ATOM 729 C21 LOP I 320 32.572 43.819 25.763 1.00 0.00 C ATOM 730 CM5 LOP I 320 33.263 42.519 25.844 1.00 0.00 C ATOM 731 H8Y LOP I 320 32.957 41.777 26.627 1.00 0.00 H ATOM 732 H8Z LOP I 320 34.338 42.759 26.065 1.00 0.00 H ATOM 733 HM5 LOP I 320 33.209 42.007 24.843 1.00 0.00 H ATOM 734 C22 LOP I 320 32.427 44.422 24.433 1.00 0.00 C ATOM 735 H8L LOP I 320 31.419 44.817 24.215 1.00 0.00 H ATOM 736 C23 LOP I 320 33.238 44.363 23.403 1.00 0.00 C ATOM 737 C24 LOP I 320 34.222 44.925 22.755 1.00 0.00 C ATOM 738 C25 LOP I 320 35.401 44.070 22.360 1.00 0.00 C ATOM 739 CM6 LOP I 320 35.730 42.959 23.347 1.00 0.00 C ATOM 740 HM6 LOP I 320 34.991 42.124 23.360 1.00 0.00 H ATOM 741 H80 LOP I 320 35.608 43.521 24.307 1.00 0.00 H ATOM 742 H81 LOP I 320 36.796 42.604 23.367 1.00 0.00 H ATOM 743 CM7 LOP I 320 35.210 43.329 21.032 1.00 0.00 C ATOM 744 H82 LOP I 320 34.891 44.049 20.240 1.00 0.00 H ATOM 745 H83 LOP I 320 34.404 42.551 21.091 1.00 0.00 H ATOM 746 HM7 LOP I 320 36.106 42.828 20.596 1.00 0.00 H ATOM 747 C26 LOP I 320 36.698 44.883 22.272 1.00 0.00 C ATOM 748 H26 LOP I 320 37.473 44.262 21.768 1.00 0.00 H ATOM 749 H8M LOP I 320 37.044 45.075 23.317 1.00 0.00 H ATOM 750 C27 LOP I 320 36.551 46.243 21.600 1.00 0.00 C ATOM 751 H27 LOP I 320 36.572 46.078 20.489 1.00 0.00 H ATOM 752 O6 LOP I 320 37.767 46.903 22.002 1.00 0.00 O ATOM 753 C30 LOP I 320 38.260 47.893 21.216 1.00 0.00 ATOM 754 O7 LOP I 320 37.744 48.160 20.135 1.00 0.00 ATOM 755 C31 LOP I 320 39.562 48.463 21.683 1.00 0.00 C ATOM 756 H8O LOP I 320 40.379 48.090 21.017 1.00 0.00 H ATOM 757 H8P LOP I 320 39.695 48.234 22.767 1.00 0.00 H ATOM 758 H31 LOP I 320 39.506 49.573 21.569 1.00 0.00 H ATOM 759 C28 LOP I 320 35.374 47.017 22.168 1.00 0.00 C ATOM 760 H28 LOP I 320 35.489 47.123 23.279 1.00 0.00 H ATOM 761 H8N LOP I 320 35.273 48.056 21.756 1.00 0.00 H ATOM 762 C29 LOP I 320 34.026 46.298 22.133 1.00 0.00 C ATOM 763 O5 LOP I 320 33.624 46.187 20.762 1.00 0.00 ATOM 764 H5 LOP I 320 34.349 46.270 20.120 1.00 0.00 ATOM 765 CM8 LOP I 320 32.976 47.199 22.792 1.00 0.00 C ATOM 766 H84 LOP I 320 32.007 46.694 22.523 1.00 0.00 H ATOM 767 H85 LOP I 320 33.013 48.253 22.417 1.00 0.00 H ATOM 768 HM8 LOP I 320 33.008 47.306 23.908 1.00 0.00 H ATOM 769 H70 CHL J 321 46.436 33.227 37.167 1.00 0.00 H ATOM 770 C20 CHL J 321 47.038 33.678 36.335 1.00 0.00 C ATOM 771 H68 CHL J 321 47.674 32.844 35.947 1.00 0.00 H ATOM 772 H69 CHL J 321 46.338 33.980 35.514 1.00 0.00 H ATOM 773 C18 CHL J 321 47.959 34.750 36.876 1.00 0.00 C ATOM 774 H64 CHL J 321 48.702 34.245 37.572 1.00 0.00 H ATOM 775 C19 CHL J 321 47.098 35.774 37.593 1.00 0.00 C ATOM 776 H65 CHL J 321 46.394 36.316 36.906 1.00 0.00 H ATOM 777 H66 CHL J 321 47.702 36.599 38.037 1.00 0.00 H ATOM 778 H67 CHL J 321 46.539 35.392 38.485 1.00 0.00 H ATOM 779 C17 CHL J 321 48.642 35.422 35.693 1.00 0.00 C ATOM 780 H62 CHL J 321 49.189 36.338 36.060 1.00 0.00 H ATOM 781 H63 CHL J 321 47.962 35.771 34.887 1.00 0.00 H ATOM 782 C16 CHL J 321 49.610 34.514 34.952 1.00 0.00 C ATOM 783 H60 CHL J 321 49.052 33.646 34.518 1.00 0.00 H ATOM 784 H61 CHL J 321 50.367 34.139 35.680 1.00 0.00 H ATOM 785 C15 CHL J 321 50.356 35.222 33.831 1.00 0.00 C ATOM 786 H58 CHL J 321 50.881 36.118 34.263 1.00 0.00 H ATOM 787 H59 CHL J 321 49.607 35.617 33.090 1.00 0.00 H ATOM 788 C13 CHL J 321 51.424 34.434 33.089 1.00 0.00 C ATOM 789 H54 CHL J 321 52.173 34.077 33.856 1.00 0.00 H ATOM 790 C14 CHL J 321 50.747 33.266 32.396 1.00 0.00 C ATOM 791 H55 CHL J 321 49.908 33.686 31.785 1.00 0.00 H ATOM 792 H56 CHL J 321 50.317 32.511 33.091 1.00 0.00 H ATOM 793 H57 CHL J 321 51.477 32.763 31.715 1.00 0.00 H ATOM 794 C12 CHL J 321 52.219 35.295 32.120 1.00 0.00 C ATOM 795 H52 CHL J 321 52.358 36.340 32.494 1.00 0.00 H ATOM 796 H53 CHL J 321 51.687 35.385 31.144 1.00 0.00 H ATOM 797 C11 CHL J 321 53.574 34.680 31.799 1.00 0.00 C ATOM 798 H50 CHL J 321 53.451 33.753 31.174 1.00 0.00 H ATOM 799 H51 CHL J 321 54.110 34.357 32.728 1.00 0.00 H ATOM 800 C10 CHL J 321 54.414 35.567 30.887 1.00 0.00 C ATOM 801 H48 CHL J 321 54.645 36.526 31.408 1.00 0.00 H ATOM 802 H49 CHL J 321 53.737 35.827 30.041 1.00 0.00 H ATOM 803 C8 CHL J 321 55.699 34.990 30.324 1.00 0.00 C ATOM 804 H44 CHL J 321 55.458 34.076 29.702 1.00 0.00 H ATOM 805 C9 CHL J 321 56.578 34.559 31.487 1.00 0.00 C ATOM 806 H45 CHL J 321 56.111 33.801 32.164 1.00 0.00 H ATOM 807 H46 CHL J 321 56.772 35.460 32.115 1.00 0.00 H ATOM 808 H47 CHL J 321 57.509 34.069 31.080 1.00 0.00 H ATOM 809 C7 CHL J 321 56.458 35.933 29.402 1.00 0.00 C ATOM 810 H42 CHL J 321 56.740 36.838 29.996 1.00 0.00 H ATOM 811 H43 CHL J 321 57.406 35.459 29.069 1.00 0.00 H ATOM 812 C6 CHL J 321 55.772 36.410 28.129 1.00 0.00 C ATOM 813 H40 CHL J 321 55.366 35.594 27.468 1.00 0.00 H ATOM 814 H41 CHL J 321 54.899 37.049 28.428 1.00 0.00 H ATOM 815 C5 CHL J 321 56.740 37.260 27.326 1.00 0.00 C ATOM 816 H38 CHL J 321 56.928 38.156 27.966 1.00 0.00 H ATOM 817 H39 CHL J 321 57.700 36.678 27.227 1.00 0.00 H ATOM 818 C3 CHL J 321 56.291 37.684 25.969 1.00 0.00 C ATOM 819 C4 CHL J 321 55.359 36.821 25.199 1.00 0.00 C ATOM 820 H35 CHL J 321 55.227 37.028 24.105 1.00 0.00 H ATOM 821 H36 CHL J 321 54.374 36.989 25.703 1.00 0.00 H ATOM 822 H37 CHL J 321 55.697 35.767 25.366 1.00 0.00 H ATOM 823 C2 CHL J 321 56.920 38.660 25.314 1.00 0.00 C ATOM 824 H34 CHL J 321 56.596 38.795 24.268 1.00 0.00 H ATOM 825 C1 CHL J 321 57.956 39.601 25.814 1.00 0.00 ATOM 826 H32 CHL J 321 58.736 39.077 26.426 1.00 0.00 H ATOM 827 H33 CHL J 321 58.567 40.111 25.030 1.00 0.00 H ATOM 828 O2A CHL J 321 57.560 40.557 26.805 1.00 0.00 O ATOM 829 CGA CHL J 321 56.524 41.374 26.463 1.00 0.00 ATOM 830 O1A CHL J 321 56.623 42.186 25.550 1.00 0.00 ATOM 831 CBA CHL J 321 55.686 41.573 27.697 1.00 0.00 C ATOM 832 H9 CHL J 321 55.073 42.495 27.529 1.00 0.00 H ATOM 833 H10 CHL J 321 56.316 41.729 28.611 1.00 0.00 H ATOM 834 CAA CHL J 321 54.683 40.480 28.001 1.00 0.00 C ATOM 835 H7 CHL J 321 55.336 39.663 28.429 1.00 0.00 H ATOM 836 H8 CHL J 321 54.258 40.036 27.065 1.00 0.00 H ATOM 837 C2A CHL J 321 53.451 40.631 28.798 1.00 0.00 ATOM 838 C1A CHL J 321 53.237 40.145 30.195 1.00 0.00 ATOM 839 CHA CHL J 321 53.982 39.603 31.195 1.00 0.00 ATOM 840 C4D CHL J 321 53.496 39.155 32.469 1.00 0.00 ATOM 841 ND CHL J 321 52.315 39.085 33.103 1.00 0.00 ATOM 842 MG CHL J 321 50.730 40.155 32.451 1.00 0.00 MG ATOM 843 NB CHL J 321 49.029 40.863 31.672 1.00 0.00 ATOM 844 C1B CHL J 321 48.888 41.375 30.394 1.00 0.00 ATOM 845 CHB CHL J 321 49.814 41.454 29.362 1.00 0.00 ATOM 846 H1 CHL J 321 49.458 41.801 28.382 1.00 0.00 H ATOM 847 C4A CHL J 321 51.136 41.037 29.327 1.00 0.00 ATOM 848 NA CHL J 321 51.872 40.520 30.342 1.00 0.00 ATOM 849 C3A CHL J 321 52.255 41.144 28.336 1.00 0.00 ATOM 850 CMA CHL J 321 52.172 42.097 27.237 1.00 0.00 C ATOM 851 H4 CHL J 321 51.129 42.466 27.066 1.00 0.00 H ATOM 852 H5 CHL J 321 52.439 41.492 26.323 1.00 0.00 H ATOM 853 H6 CHL J 321 52.817 43.005 27.316 1.00 0.00 H ATOM 854 C2B CHL J 321 47.478 41.864 30.313 1.00 0.00 ATOM 855 CMB CHL J 321 47.150 42.889 29.337 1.00 0.00 C ATOM 856 H11 CHL J 321 48.001 43.560 29.089 1.00 0.00 H ATOM 857 H12 CHL J 321 46.376 43.531 29.834 1.00 0.00 H ATOM 858 H13 CHL J 321 46.737 42.555 28.347 1.00 0.00 H ATOM 859 C3B CHL J 321 46.859 41.490 31.492 1.00 0.00 ATOM 860 CAB CHL J 321 45.580 41.985 31.928 1.00 0.00 C ATOM 861 H14 CHL J 321 45.440 43.028 31.585 1.00 0.00 H ATOM 862 CBB CHL J 321 44.515 41.262 32.240 1.00 0.00 C ATOM 863 H15 CHL J 321 44.535 40.170 32.312 1.00 0.00 H ATOM 864 H16 CHL J 321 43.474 41.593 32.245 1.00 0.00 H ATOM 865 C4B CHL J 321 47.864 40.915 32.453 1.00 0.00 ATOM 866 CHC CHL J 321 47.533 40.518 33.703 1.00 0.00 ATOM 867 H2 CHL J 321 46.547 40.930 33.982 1.00 0.00 H ATOM 868 C1C CHL J 321 48.379 39.884 34.665 1.00 0.00 ATOM 869 NC CHL J 321 49.544 39.252 34.342 1.00 0.00 ATOM 870 C4C CHL J 321 50.276 38.872 35.469 1.00 0.00 ATOM 871 C3C CHL J 321 49.356 39.064 36.604 1.00 0.00 ATOM 872 C2C CHL J 321 48.199 39.654 36.103 1.00 0.00 ATOM 873 CMC CHL J 321 46.851 39.644 36.671 1.00 0.00 C ATOM 874 H17 CHL J 321 46.763 40.235 37.618 1.00 0.00 H ATOM 875 H18 CHL J 321 46.702 38.539 36.753 1.00 0.00 H ATOM 876 H19 CHL J 321 46.030 40.013 35.995 1.00 0.00 H ATOM 877 CAC CHL J 321 49.519 38.680 38.017 1.00 0.00 C ATOM 878 H20 CHL J 321 50.030 37.687 38.149 1.00 0.00 H ATOM 879 H21 CHL J 321 48.519 38.605 38.504 1.00 0.00 H ATOM 880 CBC CHL J 321 50.288 39.801 38.680 1.00 0.00 C ATOM 881 H22 CHL J 321 51.101 40.131 37.981 1.00 0.00 H ATOM 882 H23 CHL J 321 50.664 39.707 39.735 1.00 0.00 H ATOM 883 H24 CHL J 321 49.556 40.641 38.706 1.00 0.00 H ATOM 884 CHD CHL J 321 51.591 38.432 35.395 1.00 0.00 ATOM 885 H3 CHL J 321 51.959 37.928 36.317 1.00 0.00 H ATOM 886 C1D CHL J 321 52.493 38.470 34.342 1.00 0.00 ATOM 887 C2D CHL J 321 53.912 38.123 34.518 1.00 0.00 ATOM 888 CMD CHL J 321 54.404 36.975 35.268 1.00 0.00 C ATOM 889 H25 CHL J 321 54.274 35.966 34.805 1.00 0.00 H ATOM 890 H26 CHL J 321 53.812 36.825 36.218 1.00 0.00 H ATOM 891 H27 CHL J 321 55.467 37.205 35.529 1.00 0.00 H ATOM 892 C3D CHL J 321 54.519 38.594 33.360 1.00 0.00 ATOM 893 CAD CHL J 321 55.780 38.652 32.647 1.00 0.00 ATOM 894 OBD CHL J 321 56.853 38.184 33.040 1.00 0.00 ATOM 895 CBD CHL J 321 55.472 39.285 31.248 1.00 0.00 C ATOM 896 H28 CHL J 321 55.682 38.472 30.499 1.00 0.00 H ATOM 897 CGD CHL J 321 56.330 40.511 31.141 1.00 0.00 ATOM 898 O1D CHL J 321 56.304 41.617 31.687 1.00 0.00 ATOM 899 O2D CHL J 321 57.375 40.210 30.317 1.00 0.00 O ATOM 900 CED CHL J 321 58.500 41.014 29.978 1.00 0.00 ATOM 901 H29 CHL J 321 59.246 40.368 29.457 1.00 0.00 H ATOM 902 H30 CHL J 321 58.950 41.411 30.929 1.00 0.00 H ATOM 903 H31 CHL J 321 58.185 41.913 29.387 1.00 0.00 H ATOM 904 H70 CHL K 322 38.117 51.300 34.418 1.00 0.00 H ATOM 905 C20 CHL K 322 37.109 51.782 34.408 1.00 0.00 C ATOM 906 H68 CHL K 322 36.999 52.452 35.296 1.00 0.00 H ATOM 907 H69 CHL K 322 36.989 52.516 33.578 1.00 0.00 H ATOM 908 C18 CHL K 322 36.017 50.719 34.407 1.00 0.00 C ATOM 909 H64 CHL K 322 36.142 50.192 33.422 1.00 0.00 H ATOM 910 C19 CHL K 322 36.154 49.808 35.626 1.00 0.00 C ATOM 911 H65 CHL K 322 37.205 49.747 36.018 1.00 0.00 H ATOM 912 H66 CHL K 322 35.684 48.828 35.358 1.00 0.00 H ATOM 913 H67 CHL K 322 35.525 50.266 36.434 1.00 0.00 H ATOM 914 C17 CHL K 322 34.629 51.335 34.444 1.00 0.00 C ATOM 915 H62 CHL K 322 34.544 51.918 35.397 1.00 0.00 H ATOM 916 H63 CHL K 322 34.489 52.018 33.566 1.00 0.00 H ATOM 917 C16 CHL K 322 33.482 50.337 34.415 1.00 0.00 C ATOM 918 H60 CHL K 322 33.719 49.594 33.610 1.00 0.00 H ATOM 919 H61 CHL K 322 33.516 49.719 35.351 1.00 0.00 H ATOM 920 C15 CHL K 322 32.069 50.896 34.306 1.00 0.00 C ATOM 921 H58 CHL K 322 31.822 51.366 35.293 1.00 0.00 H ATOM 922 H59 CHL K 322 32.069 51.690 33.508 1.00 0.00 H ATOM 923 C13 CHL K 322 30.961 49.926 33.945 1.00 0.00 C ATOM 924 H54 CHL K 322 31.271 49.267 33.077 1.00 0.00 H ATOM 925 C14 CHL K 322 30.778 49.004 35.148 1.00 0.00 C ATOM 926 H55 CHL K 322 30.696 49.476 36.161 1.00 0.00 H ATOM 927 H56 CHL K 322 31.637 48.289 35.161 1.00 0.00 H ATOM 928 H57 CHL K 322 29.881 48.347 35.053 1.00 0.00 H ATOM 929 C12 CHL K 322 29.662 50.597 33.534 1.00 0.00 C ATOM 930 H52 CHL K 322 28.813 49.877 33.710 1.00 0.00 H ATOM 931 H53 CHL K 322 29.542 51.429 34.266 1.00 0.00 H ATOM 932 C11 CHL K 322 29.528 51.126 32.117 1.00 0.00 C ATOM 933 H50 CHL K 322 30.359 51.875 32.014 1.00 0.00 H ATOM 934 H51 CHL K 322 29.682 50.321 31.355 1.00 0.00 H ATOM 935 C10 CHL K 322 28.199 51.823 31.907 1.00 0.00 C ATOM 936 H48 CHL K 322 27.960 52.471 32.795 1.00 0.00 H ATOM 937 H49 CHL K 322 28.344 52.507 31.033 1.00 0.00 H ATOM 938 C8 CHL K 322 26.995 50.951 31.590 1.00 0.00 C ATOM 939 H44 CHL K 322 26.945 50.167 32.403 1.00 0.00 H ATOM 940 C9 CHL K 322 25.762 51.841 31.604 1.00 0.00 C ATOM 941 H45 CHL K 322 25.601 52.283 32.618 1.00 0.00 H ATOM 942 H46 CHL K 322 24.850 51.222 31.402 1.00 0.00 H ATOM 943 H47 CHL K 322 25.821 52.702 30.890 1.00 0.00 H ATOM 944 C7 CHL K 322 27.171 50.075 30.358 1.00 0.00 C ATOM 945 H42 CHL K 322 27.191 50.669 29.419 1.00 0.00 H ATOM 946 H43 CHL K 322 28.161 49.559 30.464 1.00 0.00 H ATOM 947 C6 CHL K 322 26.033 49.071 30.272 1.00 0.00 C ATOM 948 H40 CHL K 322 25.883 48.583 31.277 1.00 0.00 H ATOM 949 H41 CHL K 322 25.074 49.578 30.017 1.00 0.00 H ATOM 950 C5 CHL K 322 26.349 47.944 29.309 1.00 0.00 C ATOM 951 H38 CHL K 322 26.553 48.386 28.291 1.00 0.00 H ATOM 952 H39 CHL K 322 25.538 47.177 29.194 1.00 0.00 H ATOM 953 C3 CHL K 322 27.565 47.171 29.685 1.00 0.00 C ATOM 954 C4 CHL K 322 27.521 46.281 30.865 1.00 0.00 C ATOM 955 H35 CHL K 322 27.904 46.858 31.751 1.00 0.00 H ATOM 956 H36 CHL K 322 28.037 45.325 30.594 1.00 0.00 H ATOM 957 H37 CHL K 322 26.463 46.112 31.189 1.00 0.00 H ATOM 958 C2 CHL K 322 28.697 47.150 28.971 1.00 0.00 C ATOM 959 H34 CHL K 322 29.475 46.395 29.129 1.00 0.00 H ATOM 960 C1 CHL K 322 29.285 48.104 27.992 1.00 0.00 ATOM 961 H32 CHL K 322 29.447 49.108 28.468 1.00 0.00 H ATOM 962 H33 CHL K 322 28.713 48.014 27.034 1.00 0.00 H ATOM 963 O2A CHL K 322 30.624 47.675 27.732 1.00 0.00 O ATOM 964 CGA CHL K 322 31.531 48.555 27.210 1.00 0.00 ATOM 965 O1A CHL K 322 31.283 49.751 27.040 1.00 0.00 ATOM 966 CBA CHL K 322 32.817 47.841 26.947 1.00 0.00 C ATOM 967 H9 CHL K 322 33.352 48.496 26.203 1.00 0.00 H ATOM 968 H10 CHL K 322 32.613 46.889 26.392 1.00 0.00 H ATOM 969 CAA CHL K 322 33.725 47.638 28.151 1.00 0.00 C ATOM 970 H7 CHL K 322 33.819 48.623 28.696 1.00 0.00 H ATOM 971 H8 CHL K 322 33.077 46.981 28.800 1.00 0.00 H ATOM 972 C2A CHL K 322 34.977 46.881 28.121 1.00 0.00 ATOM 973 C1A CHL K 322 35.363 46.069 29.314 1.00 0.00 ATOM 974 CHA CHL K 322 35.105 45.967 30.649 1.00 0.00 ATOM 975 C4D CHL K 322 35.157 44.783 31.451 1.00 0.00 ATOM 976 ND CHL K 322 35.537 43.505 31.282 1.00 0.00 ATOM 977 MG CHL K 322 36.171 42.905 29.460 1.00 0.00 MG ATOM 978 NB CHL K 322 37.405 42.382 27.972 1.00 0.00 ATOM 979 C1B CHL K 322 37.802 43.261 26.990 1.00 0.00 ATOM 980 CHB CHL K 322 37.376 44.551 26.689 1.00 0.00 ATOM 981 H1 CHL K 322 37.722 44.935 25.718 1.00 0.00 H ATOM 982 C4A CHL K 322 36.661 45.426 27.489 1.00 0.00 ATOM 983 NA CHL K 322 36.492 45.346 28.840 1.00 0.00 ATOM 984 C3A CHL K 322 35.762 46.542 27.035 1.00 0.00 ATOM 985 CMA CHL K 322 36.105 47.359 25.866 1.00 0.00 C ATOM 986 H4 CHL K 322 36.696 48.239 26.236 1.00 0.00 H ATOM 987 H5 CHL K 322 35.199 47.738 25.332 1.00 0.00 H ATOM 988 H6 CHL K 322 36.740 46.764 25.166 1.00 0.00 H ATOM 989 C2B CHL K 322 38.775 42.524 26.127 1.00 0.00 ATOM 990 CMB CHL K 322 39.564 43.031 25.010 1.00 0.00 C ATOM 991 H11 CHL K 322 40.333 42.286 24.682 1.00 0.00 H ATOM 992 H12 CHL K 322 40.076 43.941 25.416 1.00 0.00 H ATOM 993 H13 CHL K 322 38.961 43.274 24.097 1.00 0.00 H ATOM 994 C3B CHL K 322 38.843 41.228 26.590 1.00 0.00 ATOM 995 CAB CHL K 322 39.657 40.173 26.048 1.00 0.00 C ATOM 996 H14 CHL K 322 39.336 40.013 24.995 1.00 0.00 H ATOM 997 CBB CHL K 322 40.793 39.703 26.552 1.00 0.00 C ATOM 998 H15 CHL K 322 41.625 39.290 25.975 1.00 0.00 H ATOM 999 H16 CHL K 322 41.144 39.820 27.574 1.00 0.00 H ATOM 1000 C4B CHL K 322 38.100 41.172 27.902 1.00 0.00 ATOM 1001 CHC CHL K 322 38.164 40.142 28.781 1.00 0.00 ATOM 1002 H2 CHL K 322 38.827 39.299 28.528 1.00 0.00 H ATOM 1003 C1C CHL K 322 37.722 40.088 30.138 1.00 0.00 ATOM 1004 NC CHL K 322 37.240 41.088 30.933 1.00 0.00 ATOM 1005 C4C CHL K 322 36.529 40.676 32.061 1.00 0.00 ATOM 1006 C3C CHL K 322 36.706 39.218 32.104 1.00 0.00 ATOM 1007 C2C CHL K 322 37.504 38.926 31.004 1.00 0.00 ATOM 1008 CMC CHL K 322 38.189 37.657 30.793 1.00 0.00 C ATOM 1009 H17 CHL K 322 37.558 36.844 30.342 1.00 0.00 H ATOM 1010 H18 CHL K 322 38.750 37.261 31.675 1.00 0.00 H ATOM 1011 H19 CHL K 322 38.936 37.673 29.953 1.00 0.00 H ATOM 1012 CAC CHL K 322 35.884 38.362 32.979 1.00 0.00 C ATOM 1013 H20 CHL K 322 36.271 37.330 32.741 1.00 0.00 H ATOM 1014 H21 CHL K 322 34.841 38.421 32.582 1.00 0.00 H ATOM 1015 CBC CHL K 322 35.857 38.577 34.480 1.00 0.00 C ATOM 1016 H22 CHL K 322 35.339 37.706 34.956 1.00 0.00 H ATOM 1017 H23 CHL K 322 35.179 39.459 34.626 1.00 0.00 H ATOM 1018 H24 CHL K 322 36.862 38.624 34.968 1.00 0.00 H ATOM 1019 CHD CHL K 322 35.792 41.567 32.825 1.00 0.00 ATOM 1020 H3 CHL K 322 35.262 41.129 33.704 1.00 0.00 H ATOM 1021 C1D CHL K 322 35.454 42.886 32.535 1.00 0.00 ATOM 1022 C2D CHL K 322 34.810 43.836 33.452 1.00 0.00 ATOM 1023 CMD CHL K 322 34.279 43.718 34.806 1.00 0.00 C ATOM 1024 H25 CHL K 322 34.929 43.159 35.529 1.00 0.00 H ATOM 1025 H26 CHL K 322 33.256 43.263 34.839 1.00 0.00 H ATOM 1026 H27 CHL K 322 34.089 44.772 35.128 1.00 0.00 H ATOM 1027 C3D CHL K 322 34.647 45.057 32.801 1.00 0.00 ATOM 1028 CAD CHL K 322 34.229 46.438 32.916 1.00 0.00 ATOM 1029 OBD CHL K 322 33.929 47.152 33.873 1.00 0.00 ATOM 1030 CBD CHL K 322 34.772 47.096 31.605 1.00 0.00 C ATOM 1031 H28 CHL K 322 35.764 47.581 31.824 1.00 0.00 H ATOM 1032 CGD CHL K 322 33.899 48.245 31.161 1.00 0.00 ATOM 1033 O1D CHL K 322 34.322 49.381 30.966 1.00 0.00 ATOM 1034 O2D CHL K 322 32.596 47.990 30.880 1.00 0.00 O ATOM 1035 CED CHL K 322 31.683 49.002 30.440 1.00 0.00 ATOM 1036 H29 CHL K 322 31.527 49.753 31.252 1.00 0.00 H ATOM 1037 H30 CHL K 322 30.727 48.481 30.194 1.00 0.00 H ATOM 1038 H31 CHL K 322 32.114 49.505 29.537 1.00 0.00 H END If you find results from this site 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