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436 lines
19 KiB
436 lines
19 KiB
2 years ago
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system_GMX.gro created by acpype (Rev: 0) on Tue Jun 7 16:54:15 2022
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99 SLV H1 297 0.379 -0.192 -0.222
|
||
|
100 SLV O 298 -0.133 0.163 0.283
|
||
|
100 SLV H 299 -0.038 0.156 0.296
|
||
|
100 SLV H1 300 -0.175 0.130 0.362
|
||
|
101 URA C 301 0.068 0.602 -0.643
|
||
|
101 URA O 302 0.009 0.508 -0.594
|
||
|
101 URA N 303 0.190 0.590 -0.703
|
||
|
101 URA N1 304 0.017 0.729 -0.642
|
||
|
101 URA H 305 0.232 0.499 -0.705
|
||
|
101 URA H1 306 0.239 0.667 -0.743
|
||
|
101 URA H2 307 -0.072 0.743 -0.600
|
||
|
101 URA H3 308 0.065 0.807 -0.683
|
||
|
102 URA C 309 0.167 -0.006 -0.462
|
||
|
102 URA O 310 0.078 0.073 -0.440
|
||
|
102 URA N 311 0.144 -0.138 -0.484
|
||
|
102 URA N1 312 0.298 0.031 -0.466
|
||
|
102 URA H 313 0.049 -0.171 -0.482
|
||
|
102 URA H1 314 0.218 -0.204 -0.502
|
||
|
102 URA H2 315 0.321 0.127 -0.450
|
||
|
102 URA H3 316 0.373 -0.034 -0.484
|
||
|
103 URA C 317 0.309 -0.694 -0.034
|
||
|
103 URA O 318 0.400 -0.690 -0.114
|
||
|
103 URA N 319 0.233 -0.806 -0.015
|
||
|
103 URA N1 320 0.273 -0.588 0.044
|
||
|
103 URA H 321 0.254 -0.887 -0.070
|
||
|
103 URA H1 322 0.157 -0.810 0.050
|
||
|
103 URA H2 323 0.326 -0.503 0.034
|
||
|
103 URA H3 324 0.198 -0.591 0.110
|
||
|
104 URA C 325 1.009 -0.869 0.004
|
||
|
104 URA O 326 1.068 -0.764 -0.006
|
||
|
104 URA N 327 0.955 -0.913 0.122
|
||
|
104 URA N1 328 0.991 -0.954 -0.101
|
||
|
104 URA H 329 0.965 -0.854 0.202
|
||
|
104 URA H1 330 0.905 -1.000 0.130
|
||
|
104 URA H2 331 1.029 -0.927 -0.190
|
||
|
104 URA H3 332 0.942 -1.041 -0.094
|
||
|
105 URA C 333 -0.020 -0.159 0.232
|
||
|
105 URA O 334 -0.093 -0.093 0.162
|
||
|
105 URA N 335 0.114 -0.135 0.242
|
||
|
105 URA N1 336 -0.063 -0.265 0.307
|
||
|
105 URA H 337 0.152 -0.058 0.189
|
||
|
105 URA H1 338 0.176 -0.189 0.300
|
||
|
105 URA H2 339 -0.161 -0.287 0.303
|
||
|
105 URA H3 340 -0.003 -0.320 0.365
|
||
|
106 URA C 341 0.463 0.736 0.909
|
||
|
106 URA O 342 0.465 0.670 0.808
|
||
|
106 URA N 343 0.577 0.768 0.978
|
||
|
106 URA N1 344 0.348 0.786 0.962
|
||
|
106 URA H 345 0.664 0.733 0.943
|
||
|
106 URA H1 346 0.576 0.823 1.062
|
||
|
106 URA H2 347 0.262 0.766 0.915
|
||
|
106 URA H3 348 0.346 0.842 1.046
|
||
|
107 URA C 349 -0.415 -0.668 0.130
|
||
|
107 URA O 350 -0.409 -0.733 0.028
|
||
|
107 URA N 351 -0.387 -0.720 0.253
|
||
|
107 URA N1 352 -0.449 -0.536 0.131
|
||
|
107 URA H 353 -0.361 -0.817 0.258
|
||
|
107 URA H1 354 -0.391 -0.667 0.338
|
||
|
107 URA H2 355 -0.470 -0.492 0.044
|
||
|
107 URA H3 356 -0.454 -0.481 0.215
|
||
|
108 URA C 357 -0.779 -0.412 -0.592
|
||
|
108 URA O 358 -0.682 -0.403 -0.664
|
||
|
108 URA N 359 -0.789 -0.505 -0.493
|
||
|
108 URA N1 360 -0.886 -0.329 -0.602
|
||
|
108 URA H 361 -0.713 -0.570 -0.481
|
||
|
108 URA H1 362 -0.869 -0.513 -0.433
|
||
|
108 URA H2 363 -0.884 -0.258 -0.673
|
||
|
108 URA H3 364 -0.967 -0.335 -0.542
|
||
|
109 URA C 365 -0.008 -0.873 -0.857
|
||
|
109 URA O 366 0.075 -0.801 -0.908
|
||
|
109 URA N 367 -0.092 -0.831 -0.758
|
||
|
109 URA N1 368 -0.026 -1.003 -0.894
|
||
|
109 URA H 369 -0.083 -0.736 -0.726
|
||
|
109 URA H1 370 -0.161 -0.890 -0.716
|
||
|
109 URA H2 371 0.033 -1.040 -0.967
|
||
|
109 URA H3 372 -0.095 -1.063 -0.853
|
||
|
110 AMK N 373 -0.239 -0.984 0.070
|
||
|
110 AMK H 374 -0.177 -1.064 0.068
|
||
|
110 AMK H1 375 -0.332 -1.016 0.051
|
||
|
110 AMK H2 376 -0.212 -0.921 -0.005
|
||
|
111 AMK N 377 0.723 -0.767 0.338
|
||
|
111 AMK H 378 0.743 -0.704 0.261
|
||
|
111 AMK H1 379 0.626 -0.795 0.331
|
||
|
111 AMK H2 380 0.734 -0.714 0.424
|
||
|
112 AMK N 381 0.746 0.604 0.493
|
||
|
112 AMK H 382 0.842 0.621 0.523
|
||
|
112 AMK H1 383 0.723 0.674 0.424
|
||
|
112 AMK H2 384 0.686 0.618 0.573
|
||
|
113 AMK N 385 -0.122 0.115 -0.037
|
||
|
113 AMK H 386 -0.197 0.049 -0.051
|
||
|
113 AMK H1 387 -0.153 0.205 -0.070
|
||
|
113 AMK H2 388 -0.044 0.086 -0.095
|
||
|
114 AMK N 389 0.312 -0.453 0.407
|
||
|
114 AMK H 390 0.334 -0.417 0.315
|
||
|
114 AMK H1 391 0.215 -0.482 0.406
|
||
|
114 AMK H2 392 0.321 -0.377 0.473
|
||
|
115 AMK N 393 -0.544 -0.742 0.553
|
||
|
115 AMK H 394 -0.636 -0.701 0.555
|
||
|
115 AMK H1 395 -0.553 -0.839 0.581
|
||
|
115 AMK H2 396 -0.488 -0.696 0.624
|
||
|
116 AMK N 397 0.237 -0.774 -0.537
|
||
|
116 AMK H 398 0.250 -0.872 -0.514
|
||
|
116 AMK H1 399 0.161 -0.768 -0.604
|
||
|
116 AMK H2 400 0.321 -0.741 -0.583
|
||
|
117 AMK N 401 0.800 0.497 -0.761
|
||
|
117 AMK H 402 0.901 0.503 -0.763
|
||
|
117 AMK H1 403 0.765 0.583 -0.720
|
||
|
117 AMK H2 404 0.775 0.421 -0.699
|
||
|
118 AMK N 405 -0.240 0.823 -0.178
|
||
|
118 AMK H 406 -0.159 0.767 -0.153
|
||
|
118 AMK H1 407 -0.314 0.760 -0.205
|
||
|
118 AMK H2 408 -0.215 0.878 -0.260
|
||
|
119 AMK N 409 0.927 0.229 0.186
|
||
|
119 AMK H 410 0.933 0.303 0.255
|
||
|
119 AMK H1 411 0.834 0.231 0.146
|
||
|
119 AMK H2 412 0.938 0.141 0.235
|
||
|
120 AMK N 413 0.919 -0.112 0.681
|
||
|
120 AMK H 414 0.837 -0.070 0.723
|
||
|
120 AMK H1 415 0.898 -0.128 0.583
|
||
|
120 AMK H2 416 0.932 -0.203 0.724
|
||
|
121 AMK N 417 0.655 -0.428 -0.754
|
||
|
121 AMK H 418 0.601 -0.349 -0.722
|
||
|
121 AMK H1 419 0.596 -0.510 -0.749
|
||
|
121 AMK H2 420 0.731 -0.442 -0.688
|
||
|
122 AMK N 421 -0.071 -0.807 -0.337
|
||
|
122 AMK H 422 -0.001 -0.855 -0.393
|
||
|
122 AMK H1 423 -0.092 -0.719 -0.383
|
||
|
122 AMK H2 424 -0.029 -0.786 -0.247
|
||
|
123 AMK N 425 -0.518 0.015 -0.240
|
||
|
123 AMK H 426 -0.601 -0.043 -0.252
|
||
|
123 AMK H1 427 -0.549 0.110 -0.227
|
||
|
123 AMK H2 428 -0.465 0.011 -0.326
|
||
|
124 AMK N 429 0.868 -0.680 -0.321
|
||
|
124 AMK H 430 0.825 -0.768 -0.294
|
||
|
124 AMK H1 431 0.953 -0.670 -0.267
|
||
|
124 AMK H2 432 0.805 -0.606 -0.294
|
||
|
2.13130 2.13040 2.13330
|