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407 lines
27 KiB
407 lines
27 KiB
system |
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80SLV H 239 1.049 1.220 0.710 -0.6051 0.3119 -0.5549 |
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80SLV H1 240 1.183 1.285 0.751 -0.2141 -0.9090 -0.5495 |
|
81SLV O 241 0.840 0.439 0.752 -0.1261 -0.3070 0.1362 |
|
81SLV H 242 0.925 0.486 0.753 -0.2260 -0.1209 -0.2863 |
|
81SLV H1 243 0.865 0.352 0.715 1.0383 -0.0503 0.2931 |
|
82SLV O 244 0.567 0.443 0.748 0.1113 0.0501 0.1942 |
|
82SLV H 245 0.663 0.439 0.767 0.0306 0.5658 0.7429 |
|
82SLV H1 246 0.519 0.434 0.832 0.3030 -0.6071 0.2345 |
|
83SLV O 247 1.272 0.229 0.313 0.2986 0.2120 -0.5520 |
|
83SLV H 248 1.218 0.182 0.247 -0.2688 0.1619 -0.0552 |
|
83SLV H1 249 1.308 0.158 0.369 0.4701 0.4343 -0.3812 |
|
84SLV O 250 1.553 1.421 0.581 -0.2675 0.1281 -0.4284 |
|
84SLV H 251 1.509 1.478 0.646 0.6732 0.4460 -0.0624 |
|
84SLV H1 252 1.477 1.387 0.530 -0.3347 -0.0706 -0.1955 |
|
85SLV O 253 0.301 1.215 1.525 0.1292 0.4095 -0.4620 |
|
85SLV H 254 0.360 1.194 1.600 -0.6890 0.7214 0.2724 |
|
85SLV H1 255 0.335 1.301 1.494 1.6128 0.1093 0.3170 |
|
86SLV O 256 1.389 1.617 0.718 -0.2013 0.2079 -0.0579 |
|
86SLV H 257 1.443 1.680 0.769 -0.2702 0.5187 -0.3670 |
|
86SLV H1 258 1.306 1.632 0.768 0.1275 0.7518 0.3318 |
|
87SLV O 259 0.331 0.972 1.353 0.2889 0.5706 0.5677 |
|
87SLV H 260 0.319 1.046 1.416 0.6270 1.1418 -0.0319 |
|
87SLV H1 261 0.368 1.012 1.272 -1.2201 -0.4480 -0.6578 |
|
88SLV O 262 1.544 0.085 1.423 0.0441 0.1505 0.2557 |
|
88SLV H 263 1.481 0.140 1.374 0.2851 0.4676 0.2997 |
|
88SLV H1 264 1.504 0.084 1.512 0.9382 -1.0090 0.6648 |
|
89SLV O 265 0.443 0.411 0.305 -0.0056 -0.1087 -0.4488 |
|
89SLV H 266 0.464 0.322 0.270 0.2076 -0.1803 -0.1407 |
|
89SLV H1 267 0.397 0.448 0.229 0.2913 0.8222 -0.1773 |
|
90SLV O 268 0.579 0.014 1.152 -0.2406 -0.2548 -0.1751 |
|
90SLV H 269 0.532 0.035 1.235 0.4588 0.1990 0.1093 |
|
90SLV H1 270 0.667 0.055 1.159 -0.7020 0.7153 0.0111 |
|
91SLV O 271 1.210 0.362 0.941 0.0489 0.0720 -0.1144 |
|
91SLV H 272 1.143 0.390 1.006 -0.8892 -1.1449 -0.5414 |
|
91SLV H1 273 1.294 0.361 0.990 0.1351 -2.1642 -0.2985 |
|
92SLV O 274 1.419 0.446 0.392 0.4559 -0.2260 -0.5583 |
|
92SLV H 275 1.348 0.385 0.368 -0.0532 -0.1059 0.5910 |
|
92SLV H1 276 1.465 0.393 0.460 -0.0634 -0.4183 -0.3549 |
|
93SLV O 277 0.190 0.243 0.861 -0.0706 0.3844 -0.1494 |
|
93SLV H 278 0.219 0.333 0.839 0.2214 0.5930 1.0356 |
|
93SLV H1 279 0.271 0.196 0.886 0.5691 1.9176 0.6873 |
|
94SLV O 280 1.536 0.670 1.604 -0.0783 -0.2898 -0.0505 |
|
94SLV H 281 1.525 0.594 1.663 0.2644 -0.4964 -0.2484 |
|
94SLV H1 282 1.448 0.677 1.563 -0.1647 1.3542 0.3729 |
|
95SLV O 283 1.046 0.446 1.181 0.2397 -0.0720 0.1651 |
|
95SLV H 284 1.077 0.441 1.273 -1.6413 0.3720 0.8530 |
|
95SLV H1 285 0.968 0.387 1.186 0.3198 -0.1338 0.7546 |
|
96SLV O 286 1.474 1.241 0.188 -0.1033 0.0220 -0.1474 |
|
96SLV H 287 1.549 1.186 0.219 0.1799 0.2404 -0.4329 |
|
96SLV H1 288 1.418 1.172 0.148 -0.2832 -0.0459 0.2228 |
|
97SLV O 289 0.276 0.374 1.195 0.2494 0.1358 0.4529 |
|
97SLV H 290 0.196 0.428 1.198 -0.0636 -0.3253 0.4691 |
|
97SLV H1 291 0.239 0.298 1.243 -0.1116 0.0174 -0.0015 |
|
98SLV O 292 1.474 0.860 1.213 -0.0333 -0.1537 0.0353 |
|
98SLV H 293 1.513 0.925 1.274 -0.1690 0.4652 -0.5356 |
|
98SLV H1 294 1.550 0.820 1.167 -0.1159 -0.3566 0.0723 |
|
99SLV O 295 0.569 0.248 1.586 -0.1944 0.0022 0.4653 |
|
99SLV H 296 0.529 0.323 1.538 0.8532 0.4634 0.2923 |
|
99SLV H1 297 0.518 0.241 1.669 0.6608 1.6406 1.1633 |
|
100SLV O 298 0.737 0.787 1.206 -0.2376 -0.1376 -0.3560 |
|
100SLV H 299 0.824 0.748 1.189 -0.0984 0.1039 -0.2061 |
|
100SLV H1 300 0.750 0.878 1.175 -1.0832 -0.3456 -1.3706 |
|
101URA C 301 0.906 1.097 1.129 -0.2724 0.2224 0.4650 |
|
101URA O 302 0.812 1.029 1.094 -0.1977 0.0954 0.3388 |
|
101URA N 303 0.881 1.200 1.216 -0.2081 0.0085 -0.1072 |
|
101URA N1 304 1.034 1.043 1.123 0.1992 0.2478 -0.0547 |
|
101URA H 305 0.785 1.228 1.228 0.0790 0.9389 0.0950 |
|
101URA H1 306 0.956 1.259 1.251 -0.1410 0.3490 -0.8344 |
|
101URA H2 307 1.051 0.972 1.053 0.0018 0.0299 0.1174 |
|
101URA H3 308 1.112 1.091 1.167 0.1707 -0.4576 0.7950 |
|
102URA C 309 0.917 0.421 0.323 -0.2104 0.0678 -0.2129 |
|
102URA O 310 0.968 0.478 0.227 0.0254 0.3318 -0.1507 |
|
102URA N 311 0.780 0.422 0.345 -0.3012 -0.1008 -0.1621 |
|
102URA N1 312 0.977 0.312 0.376 0.0774 0.5491 0.0327 |
|
102URA H 313 0.718 0.481 0.291 -0.1701 -0.0293 -0.2350 |
|
102URA H1 314 0.741 0.354 0.409 -0.2525 0.4666 0.4738 |
|
102URA H2 315 1.078 0.307 0.370 0.0447 -0.4056 0.1517 |
|
102URA H3 316 0.926 0.256 0.442 0.5556 0.6272 0.4690 |
|
103URA C 317 0.855 0.978 1.536 -0.1271 -0.0893 -0.0497 |
|
103URA O 318 0.870 0.948 1.654 0.1386 -0.1774 -0.0192 |
|
103URA N 319 0.952 0.935 1.447 0.0981 -0.1464 0.2523 |
|
103URA N1 320 0.727 0.995 1.489 0.0194 0.0599 0.2109 |
|
103URA H 321 1.038 0.903 1.489 0.6465 0.2194 -0.5653 |
|
103URA H1 322 0.946 0.946 1.346 1.6505 -0.1257 0.1548 |
|
103URA H2 323 0.652 1.004 1.557 -0.3937 0.5597 -0.3055 |
|
103URA H3 324 0.706 0.995 1.390 0.3071 0.1802 0.1487 |
|
104URA C 325 1.512 0.828 0.376 0.2259 -0.4986 -0.1091 |
|
104URA O 326 1.562 0.935 0.407 0.0828 -0.1512 -0.2787 |
|
104URA N 327 1.433 0.821 0.263 -0.0908 -0.0557 -0.0839 |
|
104URA N1 328 1.585 0.719 0.411 -0.1223 -0.0873 -0.2071 |
|
104URA H 329 1.397 0.910 0.230 0.8893 0.1039 -0.7413 |
|
104URA H1 330 1.385 0.737 0.232 0.5083 -0.2522 -0.4891 |
|
104URA H2 331 1.661 0.732 0.476 0.1345 0.0997 -0.5415 |
|
104URA H3 332 1.539 0.629 0.405 -0.5636 0.1435 -0.3640 |
|
105URA C 333 0.709 0.592 1.605 0.3838 0.2477 0.1178 |
|
105URA O 334 0.640 0.577 1.705 0.2834 -0.0461 0.0895 |
|
105URA N 335 0.844 0.615 1.630 -0.1245 0.1661 -0.0497 |
|
105URA N1 336 0.657 0.650 1.491 -0.1910 0.3301 -0.1350 |
|
105URA H 337 0.875 0.603 1.726 1.5020 -0.2201 -0.6177 |
|
105URA H1 338 0.898 0.679 1.574 0.6881 -0.3720 0.1138 |
|
105URA H2 339 0.557 0.666 1.486 -0.2166 0.1860 -0.0882 |
|
105URA H3 340 0.715 0.684 1.415 0.0205 1.2373 0.4186 |
|
106URA C 341 0.699 0.803 0.852 -0.3304 -0.0055 -0.2318 |
|
106URA O 342 0.732 0.920 0.839 -0.2550 -0.1552 0.2045 |
|
106URA N 343 0.618 0.748 0.753 0.0645 -0.4383 0.0711 |
|
106URA N1 344 0.789 0.716 0.905 -0.3884 0.1088 0.0736 |
|
106URA H 345 0.591 0.800 0.670 0.7386 -0.5654 -0.2319 |
|
106URA H1 346 0.607 0.648 0.747 -0.0629 -0.4760 0.9413 |
|
106URA H2 347 0.865 0.750 0.964 0.3949 0.4010 -1.0912 |
|
106URA H3 348 0.785 0.619 0.879 -1.5670 0.0867 0.3280 |
|
107URA C 349 0.873 0.760 0.396 0.1898 -0.0800 -0.0755 |
|
107URA O 350 0.982 0.815 0.386 0.4175 0.0887 -0.0640 |
|
107URA N 351 0.780 0.773 0.295 -0.2179 -0.3387 -0.1401 |
|
107URA N1 352 0.832 0.692 0.511 0.2570 -0.2256 0.1706 |
|
107URA H 353 0.805 0.829 0.214 -1.8567 0.9059 0.1882 |
|
107URA H1 354 0.686 0.741 0.311 -0.4110 0.5863 0.6116 |
|
107URA H2 355 0.902 0.658 0.576 -0.2253 -1.3249 0.1265 |
|
107URA H3 356 0.737 0.658 0.521 0.1169 0.2725 0.5982 |
|
108URA C 357 0.685 1.505 0.801 0.3541 -0.0039 0.1021 |
|
108URA O 358 0.711 1.624 0.816 -0.2389 -0.2270 0.1626 |
|
108URA N 359 0.781 1.415 0.763 -0.2701 0.0611 0.2116 |
|
108URA N1 360 0.554 1.458 0.803 0.3859 -0.2864 0.2323 |
|
108URA H 361 0.880 1.437 0.771 -0.0411 -1.0961 0.6451 |
|
108URA H1 362 0.754 1.319 0.744 -0.8591 0.4132 -0.7445 |
|
108URA H2 363 0.483 1.525 0.831 1.4631 1.1080 -0.3351 |
|
108URA H3 364 0.532 1.363 0.775 -0.7602 -0.6836 2.3721 |
|
109URA C 365 1.522 0.678 0.832 -0.1133 -0.4163 -0.2333 |
|
109URA O 366 1.601 0.771 0.836 0.2571 0.0207 0.0205 |
|
109URA N 367 1.395 0.696 0.881 0.1945 -0.3056 -0.1104 |
|
109URA N1 368 1.565 0.550 0.858 -0.0039 0.0092 -0.1042 |
|
109URA H 369 1.359 0.791 0.883 -0.4633 -0.5583 1.1524 |
|
109URA H1 370 1.341 0.616 0.910 -1.5675 0.7905 -0.3072 |
|
109URA H2 371 1.664 0.529 0.849 0.1931 0.8193 0.0994 |
|
109URA H3 372 1.496 0.483 0.891 -1.0809 0.8208 -0.6925 |
|
110URA C 373 0.765 0.287 1.245 -0.2562 0.1272 -0.0935 |
|
110URA O 374 0.830 0.235 1.154 -0.3036 -0.0097 0.2979 |
|
110URA N 375 0.696 0.405 1.228 0.0529 -0.2251 0.0442 |
|
110URA N1 376 0.802 0.258 1.374 -0.0788 0.1278 -0.0142 |
|
110URA H 377 0.654 0.415 1.136 -0.4707 -1.0009 0.1903 |
|
110URA H1 378 0.642 0.433 1.310 0.3087 0.0073 0.1334 |
|
110URA H2 379 0.884 0.199 1.386 -0.8796 -0.8083 0.9730 |
|
110URA H3 380 0.762 0.313 1.449 0.3760 0.0466 0.2883 |
|
111URA C 381 1.154 0.555 0.623 -0.2019 0.0504 0.0461 |
|
111URA O 382 1.062 0.603 0.691 0.1168 0.1533 0.0799 |
|
111URA N 383 1.256 0.481 0.681 0.1178 -0.4814 -0.0150 |
|
111URA N1 384 1.182 0.612 0.501 0.1232 0.0243 -0.1871 |
|
111URA H 385 1.237 0.435 0.770 -1.0281 -0.7193 -0.3717 |
|
111URA H1 386 1.341 0.457 0.632 0.6949 0.7375 0.3780 |
|
111URA H2 387 1.128 0.693 0.473 -1.5250 -0.9547 0.0714 |
|
111URA H3 388 1.270 0.594 0.455 0.6144 0.8922 0.4019 |
|
112URA C 389 0.239 0.594 0.694 -0.2881 0.4015 -0.2522 |
|
112URA O 390 0.253 0.513 0.784 -0.4626 0.1470 -0.3622 |
|
112URA N 391 0.212 0.555 0.564 0.0543 -0.3110 0.1583 |
|
112URA N1 392 0.255 0.730 0.719 0.0370 0.0308 -0.0066 |
|
112URA H 393 0.204 0.456 0.545 0.4105 -0.2509 -0.3148 |
|
112URA H1 394 0.222 0.619 0.486 0.6738 -0.8796 -0.2412 |
|
112URA H2 395 0.279 0.762 0.812 0.1302 0.7483 -0.2748 |
|
112URA H3 396 0.245 0.800 0.646 0.1808 -0.4103 -0.4498 |
|
113URA C 397 0.379 0.933 0.460 0.2857 -0.0878 -0.6058 |
|
113URA O 398 0.284 0.863 0.429 -0.0302 0.1385 0.0049 |
|
113URA N 399 0.375 1.070 0.442 0.4780 0.1420 0.1613 |
|
113URA N1 400 0.506 0.879 0.451 -0.0379 0.2810 0.1394 |
|
113URA H 401 0.285 1.114 0.426 0.4009 -0.4354 -1.0208 |
|
113URA H1 402 0.464 1.117 0.433 0.3350 0.5847 1.0114 |
|
113URA H2 403 0.521 0.779 0.457 -0.8392 0.1209 -0.4797 |
|
113URA H3 404 0.580 0.938 0.415 0.9076 -1.0140 -0.0772 |
|
1.62280 1.62280 1.62280
|
|
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