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435 lines
29 KiB
435 lines
29 KiB
system |
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432 |
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1SLV O 1 0.452 2.038 2.017 0.0778 -0.6701 -0.3123 |
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1SLV H 2 0.374 2.090 1.995 0.0577 -1.1220 -1.3312 |
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80SLV H 239 0.273 0.447 0.552 -1.2067 0.0841 0.7048 |
|
80SLV H1 240 0.245 0.563 0.452 -0.8009 0.3936 0.1806 |
|
81SLV O 241 0.979 1.034 1.991 -0.7644 0.1404 0.5216 |
|
81SLV H 242 1.009 1.119 1.953 -0.3047 0.6609 1.9989 |
|
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|
82SLV O 244 0.360 0.503 1.974 -0.5704 0.3649 0.5400 |
|
82SLV H 245 0.342 0.471 2.064 -0.5238 1.6986 1.0294 |
|
82SLV H1 246 0.275 0.520 1.929 -0.2281 0.9733 0.1186 |
|
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|
83SLV H 248 0.632 0.509 1.825 0.4500 -1.3548 -0.6335 |
|
83SLV H1 249 0.473 0.521 1.802 0.2669 -1.8479 1.4431 |
|
84SLV O 250 1.399 1.648 1.434 0.7132 0.4243 0.0547 |
|
84SLV H 251 1.384 1.591 1.511 1.1653 1.1259 0.6549 |
|
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|
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|
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|
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|
86SLV O 256 0.096 1.306 1.421 -0.6404 -0.1634 0.0307 |
|
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|
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|
87SLV O 259 0.729 0.723 1.942 -0.2325 0.2669 0.2099 |
|
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|
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|
88SLV O 262 1.630 0.115 1.283 0.3492 0.0276 0.2213 |
|
88SLV H 263 1.628 0.156 1.371 0.2754 -2.4522 1.4311 |
|
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|
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|
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|
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|
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|
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|
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|
91SLV O 271 1.553 0.897 1.287 0.6066 0.0513 -0.0405 |
|
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|
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|
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|
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|
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|
93SLV O 277 2.047 1.779 0.633 1.3357 0.4010 -0.4204 |
|
93SLV H 278 2.088 1.868 0.631 1.1585 0.5502 1.3940 |
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
96SLV H1 288 0.450 0.648 0.831 -0.3308 0.5869 0.3888 |
|
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|
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|
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|
98SLV O 292 1.687 0.759 1.692 0.2777 -0.2341 -0.2523 |
|
98SLV H 293 1.700 0.742 1.786 -1.9459 2.1885 0.5435 |
|
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|
99SLV O 295 1.625 0.888 0.960 -0.1799 0.2701 0.1248 |
|
99SLV H 296 1.696 0.879 0.894 -1.2074 2.2478 -1.3031 |
|
99SLV H1 297 1.551 0.839 0.921 0.4340 -0.8514 0.3393 |
|
100SLV O 298 1.322 1.056 1.227 0.3049 -0.3691 0.2793 |
|
100SLV H 299 1.405 1.012 1.202 -0.4459 -0.4302 -2.1720 |
|
100SLV H1 300 1.287 1.065 1.137 0.8093 -0.3469 0.0835 |
|
101URA C 301 1.068 1.818 0.117 -0.0291 -0.1063 -0.1508 |
|
101URA O 302 1.057 1.708 0.172 -0.0661 0.1242 -0.0220 |
|
101URA N 303 1.181 1.896 0.128 -0.6162 -0.1017 -0.3297 |
|
101URA N1 304 0.984 1.852 0.011 -0.0465 -0.4272 -0.0039 |
|
101URA H 305 1.235 1.876 0.212 0.4214 -0.2542 -1.0189 |
|
101URA H1 306 1.213 1.967 0.063 -2.5130 1.7554 0.6885 |
|
101URA H2 307 0.890 1.814 0.018 0.0246 -0.4771 0.7092 |
|
101URA H3 308 1.005 1.927 -0.053 0.2785 -1.6187 -1.3210 |
|
102URA C 309 1.556 1.356 0.853 0.2463 0.5232 0.2084 |
|
102URA O 310 1.580 1.355 0.972 0.7621 0.3039 0.1693 |
|
102URA N 311 1.632 1.435 0.768 0.2966 0.6127 -0.2748 |
|
102URA N1 312 1.483 1.251 0.791 0.4899 0.1636 0.2250 |
|
102URA H 313 1.625 1.536 0.776 0.9880 0.5695 1.0292 |
|
102URA H1 314 1.678 1.395 0.687 -2.5187 0.1478 -1.6865 |
|
102URA H2 315 1.437 1.181 0.848 4.0044 -2.8038 -0.3461 |
|
102URA H3 316 1.479 1.240 0.690 1.7320 -1.3737 0.3102 |
|
103URA C 317 1.233 0.514 1.132 0.3610 0.4981 0.8327 |
|
103URA O 318 1.305 0.603 1.174 0.3973 -0.1433 -0.2188 |
|
103URA N 319 1.259 0.380 1.173 0.0931 -0.4015 -0.5442 |
|
103URA N1 320 1.098 0.546 1.115 0.3650 0.0553 -0.0336 |
|
103URA H 321 1.315 0.379 1.257 -0.5316 0.1622 -0.1156 |
|
103URA H1 322 1.188 0.309 1.169 -0.5997 0.2633 -0.1559 |
|
103URA H2 323 1.061 0.624 1.168 1.6395 -0.1786 1.2215 |
|
103URA H3 324 1.034 0.472 1.090 -0.8193 0.9398 0.3211 |
|
104URA C 325 2.038 0.416 0.806 0.1062 0.1741 0.0628 |
|
104URA O 326 1.922 0.450 0.804 0.3168 0.4112 -0.3853 |
|
104URA N 327 2.089 0.360 0.691 -0.5360 0.2669 -0.4268 |
|
104URA N1 328 2.097 0.371 0.923 0.2955 0.1617 -0.1318 |
|
104URA H 329 2.027 0.350 0.612 0.6165 0.5630 -1.3815 |
|
104URA H1 330 2.188 0.338 0.690 -0.6796 -0.3712 -2.3761 |
|
104URA H2 331 2.039 0.331 0.995 -0.2170 0.1553 -0.5450 |
|
104URA H3 332 2.197 0.370 0.941 0.4077 -0.5891 -0.7627 |
|
105URA C 333 1.139 0.783 1.426 0.4539 -0.2043 0.3323 |
|
105URA O 334 1.069 0.688 1.462 0.2386 0.3581 0.2887 |
|
105URA N 335 1.272 0.770 1.404 0.3364 0.4316 0.7718 |
|
105URA N1 336 1.097 0.900 1.380 0.1736 -0.2464 0.1073 |
|
105URA H 337 1.314 0.684 1.438 0.3367 -0.9069 -2.4465 |
|
105URA H1 338 1.325 0.818 1.333 -1.0824 -2.6415 -2.5257 |
|
105URA H2 339 1.015 0.942 1.421 -0.9230 1.1668 -3.3796 |
|
105URA H3 340 1.165 0.953 1.326 0.3628 -0.6271 -0.0282 |
|
106URA C 341 1.552 1.996 2.109 0.7044 0.0327 -0.2154 |
|
106URA O 342 1.456 2.060 2.076 -0.0929 0.6088 0.4316 |
|
106URA N 343 1.577 1.876 2.046 -0.0466 0.3818 -0.5461 |
|
106URA N1 344 1.660 2.075 2.120 0.3952 -0.0181 -0.0040 |
|
106URA H 345 1.498 1.824 2.010 -0.3036 1.1202 -1.0474 |
|
106URA H1 346 1.668 1.855 2.006 0.2174 0.9649 -0.2535 |
|
106URA H2 347 1.648 2.176 2.111 -1.7070 -0.0984 1.6531 |
|
106URA H3 348 1.747 2.038 2.157 0.5422 -0.0804 -0.4055 |
|
107URA C 349 0.728 0.368 1.385 0.1141 -0.0699 -0.0759 |
|
107URA O 350 0.744 0.348 1.267 -0.4744 -0.0203 0.2825 |
|
107URA N 351 0.694 0.265 1.464 0.3293 -0.0707 -0.7136 |
|
107URA N1 352 0.792 0.477 1.439 0.3630 -0.6722 0.0061 |
|
107URA H 353 0.676 0.174 1.422 -0.3688 0.1902 -0.9889 |
|
107URA H1 354 0.725 0.274 1.560 -0.8659 1.8386 -0.4900 |
|
107URA H2 355 0.828 0.544 1.373 -1.4582 -0.8491 -1.1786 |
|
107URA H3 356 0.785 0.504 1.537 -1.0139 1.3925 -0.6403 |
|
108URA C 357 0.182 0.738 0.699 -0.1714 -0.0780 0.6384 |
|
108URA O 358 0.288 0.697 0.657 0.0756 -0.3123 0.2876 |
|
108URA N 359 0.067 0.734 0.621 -0.4763 0.3548 0.3972 |
|
108URA N1 360 0.175 0.805 0.818 -0.3909 -0.5056 0.1477 |
|
108URA H 361 0.077 0.672 0.541 -0.1004 0.2022 0.5586 |
|
108URA H1 362 -0.013 0.716 0.680 -1.4784 0.1872 -0.9913 |
|
108URA H2 363 0.246 0.784 0.887 0.2791 -2.6701 -1.1435 |
|
108URA H3 364 0.086 0.851 0.837 0.2136 0.1380 1.5261 |
|
109URA C 365 1.012 0.598 0.107 0.1601 0.1720 -0.2415 |
|
109URA O 366 1.117 0.547 0.068 0.1581 0.5513 0.2765 |
|
109URA N 367 1.015 0.662 0.228 -0.2543 -0.4893 -0.2911 |
|
109URA N1 368 0.889 0.535 0.073 -0.3690 0.0640 -0.5670 |
|
109URA H 369 1.103 0.701 0.257 0.6188 -1.3004 -1.8190 |
|
109URA H1 370 0.931 0.681 0.282 -0.5579 -0.9077 -0.6098 |
|
109URA H2 371 0.889 0.460 0.005 0.9225 0.1847 -0.7081 |
|
109URA H3 372 0.812 0.543 0.138 1.2902 -1.0806 1.6221 |
|
110AMK N 373 0.508 1.793 0.927 -0.2952 -0.2284 -0.5724 |
|
110AMK H 374 0.580 1.722 0.915 1.5523 1.4705 0.2052 |
|
110AMK H1 375 0.455 1.774 1.012 -1.0379 -0.2667 -1.0368 |
|
110AMK H2 376 0.442 1.795 0.850 -1.2124 -1.9202 0.1374 |
|
111AMK N 377 1.876 0.633 1.386 0.4251 0.3966 -0.1620 |
|
111AMK H 378 1.776 0.618 1.369 0.2167 0.9032 0.5903 |
|
111AMK H1 379 1.882 0.621 1.487 0.5234 0.6458 -0.1379 |
|
111AMK H2 380 1.887 0.733 1.374 -0.3880 0.3844 -1.1354 |
|
112AMK N 381 1.689 1.610 1.443 -0.5117 -0.3735 -0.3814 |
|
112AMK H 382 1.628 1.553 1.384 -0.4728 0.2541 -1.0323 |
|
112AMK H1 383 1.672 1.584 1.540 -1.1425 0.4674 -0.2558 |
|
112AMK H2 384 1.646 1.703 1.438 0.7189 0.1530 -1.1042 |
|
113AMK N 385 0.826 0.874 1.021 0.3739 -0.8759 -0.5639 |
|
113AMK H 386 0.791 0.812 0.949 -1.2133 -1.7580 0.9250 |
|
113AMK H1 387 0.764 0.858 1.100 0.2365 -0.1450 -0.5124 |
|
113AMK H2 388 0.800 0.969 0.992 -2.9302 -0.9274 1.8940 |
|
114AMK N 389 1.570 0.536 1.387 -0.1854 0.0596 -0.1072 |
|
114AMK H 390 1.558 0.516 1.486 -0.3808 -2.3400 -0.5658 |
|
114AMK H1 391 1.498 0.603 1.362 0.2336 1.3438 2.0469 |
|
114AMK H2 392 1.553 0.449 1.335 1.5990 0.0570 -0.7253 |
|
115AMK N 393 0.233 0.153 1.523 -0.8860 0.0365 -0.3076 |
|
115AMK H 394 0.256 0.160 1.622 0.6611 -0.3545 -0.6339 |
|
115AMK H1 395 0.256 0.058 1.492 -1.6942 0.2169 -1.4988 |
|
115AMK H2 396 0.286 0.223 1.472 -0.7299 -0.4920 -0.8705 |
|
116AMK N 397 1.768 1.441 0.234 -0.3578 0.8964 -0.2633 |
|
116AMK H 398 1.719 1.511 0.178 0.6812 1.7655 -0.1088 |
|
116AMK H1 399 1.838 1.390 0.180 -0.8997 1.6907 -1.7416 |
|
116AMK H2 400 1.699 1.370 0.259 -0.9232 1.2882 -0.6949 |
|
117AMK N 401 1.711 1.982 0.894 0.6385 -0.0086 0.5153 |
|
117AMK H 402 1.643 2.021 0.829 1.3468 0.8368 0.2761 |
|
117AMK H1 403 1.669 1.987 0.986 -0.8282 1.0234 -0.1948 |
|
117AMK H2 404 1.803 2.026 0.889 0.8582 -0.4177 0.8747 |
|
118AMK N 405 0.676 2.111 1.013 -0.3050 -0.0089 0.0911 |
|
118AMK H 406 0.649 2.138 1.108 0.5597 0.1133 0.3100 |
|
118AMK H1 407 0.631 2.020 1.006 -1.5490 0.4663 1.6132 |
|
118AMK H2 408 0.778 2.101 1.016 -0.2114 0.1612 -1.8363 |
|
119AMK N 409 1.234 1.100 1.653 -0.5882 -0.4391 -0.1984 |
|
119AMK H 410 1.255 1.154 1.569 0.1775 0.4623 0.5549 |
|
119AMK H1 411 1.141 1.132 1.682 -0.4541 -0.9136 0.7685 |
|
119AMK H2 412 1.301 1.131 1.723 -0.9610 -1.9655 0.8635 |
|
120AMK N 413 2.031 1.062 0.092 0.0696 -0.2061 0.2014 |
|
120AMK H 414 1.980 1.005 0.160 -0.1669 0.8740 0.9391 |
|
120AMK H1 415 2.036 1.013 0.003 1.2288 1.9261 -0.9263 |
|
120AMK H2 416 2.125 1.076 0.127 0.3560 -2.3732 0.3810 |
|
121AMK N 417 1.675 0.317 0.184 -0.4976 -0.0065 -0.0184 |
|
121AMK H 418 1.603 0.266 0.132 -2.7747 0.1181 2.8303 |
|
121AMK H1 419 1.651 0.318 0.283 2.2898 -1.5643 0.7198 |
|
121AMK H2 420 1.674 0.413 0.150 -1.5916 -0.7438 -2.1781 |
|
122AMK N 421 1.279 0.251 0.829 -0.5143 0.4523 -0.1136 |
|
122AMK H 422 1.297 0.350 0.845 1.0393 0.3473 -1.2066 |
|
122AMK H1 423 1.355 0.211 0.883 0.9174 0.9783 -1.6898 |
|
122AMK H2 424 1.304 0.233 0.732 -2.5773 1.0801 -0.8031 |
|
123AMK N 425 0.381 1.044 0.686 -0.8338 -0.0663 -0.4966 |
|
123AMK H 426 0.363 0.948 0.656 0.1244 -0.7970 1.2286 |
|
123AMK H1 427 0.382 1.043 0.788 0.7505 0.9852 -0.4921 |
|
123AMK H2 428 0.297 1.095 0.659 -2.8829 -3.0781 0.0054 |
|
124AMK N 429 1.528 0.426 0.524 -0.1332 -0.0051 0.0138 |
|
124AMK H 430 1.602 0.357 0.534 -0.0107 0.1001 -0.1571 |
|
124AMK H1 431 1.570 0.510 0.484 -1.6892 0.3534 -0.9635 |
|
124AMK H2 432 1.498 0.455 0.617 -0.6044 -3.0745 0.8872 |
|
2.12280 2.12280 2.12280
|
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