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TIM-uncharged.gro
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48 lines (48 loc) · 3.08 KB
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TIM in water
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1TIM C00 1 2.089 2.015 2.327 -0.1970 0.5154 0.9089
1TIM C01 2 2.224 1.968 2.286 0.1750 -0.0755 -0.2873
1TIM O02 3 2.309 2.079 2.259 -0.5090 0.3220 -0.0901
1TIM C03 4 2.262 2.157 2.147 0.2379 -0.5241 -0.2423
1TIM C04 5 2.133 2.214 2.205 0.1261 -0.1870 -0.0114
1TIM N05 6 2.038 2.106 2.222 0.6247 0.0854 0.1591
1TIM C06 7 1.902 2.123 2.196 0.4483 0.0378 0.3687
1TIM N07 8 1.861 2.202 2.079 -0.6538 -0.1036 0.3888
1TIM S08 9 1.691 2.191 2.076 0.1236 -0.3124 0.0266
1TIM N09 10 1.665 2.087 2.205 -0.1951 -0.5709 -0.2537
1TIM C0A 11 1.789 2.059 2.260 0.1043 0.6896 -0.0084
1TIM O0B 12 1.801 1.961 2.355 1.0282 -0.2102 0.3569
1TIM C0C 13 1.722 1.981 2.476 -0.3998 -0.4723 0.1347
1TIM C0D 14 1.760 1.881 2.590 0.4358 -0.0478 -0.4145
1TIM O0E 15 1.702 1.910 2.717 0.1521 -0.3634 0.1436
1TIM C0F 16 1.726 1.734 2.547 0.1556 0.7679 -0.6189
1TIM N0G 17 1.789 1.629 2.638 -0.3574 -0.2500 0.0346
1TIM C0H 18 1.788 1.488 2.588 0.5594 -0.5872 -0.0861
1TIM C0I 19 1.818 1.396 2.711 0.3148 0.1712 -0.2146
1TIM C0J 20 1.640 1.464 2.531 -0.5959 -0.1491 -0.0917
1TIM C0K 21 1.885 1.463 2.479 0.2314 0.0886 0.0006
1TIM H0M 22 2.022 1.930 2.330 -0.4513 0.8209 -0.4789
1TIM H0N 23 2.090 2.068 2.425 2.1534 0.0927 -0.5360
1TIM H0O 24 2.268 1.911 2.367 2.4010 0.8966 -2.2183
1TIM H0P 25 2.230 1.904 2.197 -0.8291 0.3050 -1.4425
1TIM H0Q 26 2.327 2.247 2.122 -0.2126 0.5696 -0.8752
1TIM H0R 27 2.248 2.097 2.050 -1.0560 -1.8692 -0.3092
1TIM H0S 28 2.160 2.249 2.307 -0.4468 -1.2289 -0.9044
1TIM H0T 29 2.100 2.291 2.140 -2.0252 0.3660 -2.2304
1TIM H0U 30 1.727 2.087 2.510 -0.7732 0.0440 -2.4080
1TIM H0V 31 1.615 1.970 2.454 1.8310 -0.8741 1.7323
1TIM H0W 32 1.868 1.873 2.613 -0.1066 -0.3905 0.8146
1TIM H0X 33 1.730 1.845 2.779 -0.9303 -0.2323 -0.0690
1TIM H0Y 34 1.623 1.726 2.569 1.1255 0.5319 1.0748
1TIM H0Z 35 1.746 1.716 2.437 -0.3829 -0.4921 0.0667
1TIM H10 36 1.749 1.635 2.736 -2.6778 -1.6819 -0.4472
1TIM H11 37 1.825 1.295 2.676 1.1160 0.9899 -1.6124
1TIM H12 38 1.909 1.434 2.751 -2.6641 1.3515 0.6696
1TIM H13 39 1.733 1.398 2.783 -0.2317 -1.7116 3.1554
1TIM H14 40 1.607 1.522 2.444 -0.4777 2.1495 1.8777
1TIM H15 41 1.615 1.355 2.511 -2.6552 -1.8789 -0.2092
1TIM H16 42 1.574 1.489 2.611 0.4144 -0.0592 2.7633
1TIM H17 43 1.869 1.364 2.436 1.6502 -0.0686 -0.5682
1TIM H18 44 1.876 1.528 2.385 1.6445 1.0338 -1.4156
1TIM H19 45 1.983 1.470 2.508 -0.7786 -2.8040 -1.6711
5.05991 5.05991 5.05991