Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
7002 | 1juu RC | 5164 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* C 1 1H5' C 1 -4.831 -3.005 -22.109
2 2H5* C 1 2H5' C 1 -5.695 -4.525 -21.793
3 H4* C 1 H4' C 1 -3.392 -4.843 -21.251
4 H3* C 1 H3' C 1 -5.380 -5.237 -19.232
5 H1* C 1 H1' C 1 -1.793 -3.954 -18.802
6 1H4 C 1 1H4 C 1 -2.115 1.981 -15.751
7 2H4 C 1 2H4 C 1 -0.928 2.189 -17.021
8 H5 C 1 H5 C 1 -4.110 0.963 -17.781
9 H6 C 1 H6 C 1 -4.515 -1.297 -18.636
10 2H2* C 1 1H2' C 1 -3.495 -4.690 -17.285
11 1H2* C 1 2H2' C 1 -4.658 -3.467 -17.886
12 H3 C 1 H3 C 1 -0.243 -0.134 -16.714
13 1H5* C 2 1H5' C 2 -1.031 -6.557 -18.691
14 2H5* C 2 2H5' C 2 -1.042 -8.216 -18.059
15 H4* C 2 H4' C 2 0.906 -6.958 -17.312
16 H3* C 2 H3' C 2 -0.867 -8.321 -15.482
17 H1* C 2 H1' C 2 1.142 -5.030 -14.931
18 1H4 C 2 1H4 C 2 -3.423 -0.607 -12.878
19 2H4 C 2 2H4 C 2 -2.590 0.230 -14.147
20 H5 C 2 H5 C 2 -3.963 -2.897 -14.806
21 H6 C 2 H6 C 2 -2.644 -4.895 -15.307
22 2H2* C 2 1H2' C 2 0.152 -6.625 -13.502
23 1H2* C 2 2H2' C 2 -1.459 -6.456 -14.253
24 H3 C 2 H3 C 2 -0.535 -0.942 -13.497
25 1H5* A 3 1H5' A 3 3.391 -7.092 -14.418
26 2H5* A 3 2H5' A 3 4.237 -8.366 -13.534
27 H4* A 3 H4' A 3 4.800 -5.900 -13.116
28 H3* A 3 H3' A 3 4.832 -8.059 -11.180
29 H1* A 3 H1' A 3 4.061 -4.340 -10.821
30 H8 A 3 H8 A 3 1.086 -6.503 -9.696
31 1H6 A 3 1H6 A 3 -2.065 -1.261 -11.028
32 2H6 A 3 2H6 A 3 -2.279 -2.976 -10.684
33 H2 A 3 H2 A 3 2.192 -0.283 -10.561
34 2H2* A 3 1H2' A 3 4.544 -6.088 -9.246
35 1H2* A 3 2H2' A 3 3.209 -7.082 -9.785
36 1H5* T 4 1H5' T 4 6.597 -3.921 -10.849
37 2H5* T 4 2H5' T 4 8.209 -3.882 -10.123
38 H4* T 4 H4' T 4 6.958 -1.857 -9.625
39 H3* T 4 H3' T 4 8.070 -3.574 -7.535
40 1H2* T 4 2H2' T 4 6.101 -3.768 -6.405
41 2H2* T 4 1H2' T 4 6.339 -2.126 -5.839
42 H1* T 4 H1' T 4 5.062 -1.141 -7.631
43 H3 T 4 H3 T 4 0.625 -1.880 -6.752
44 1H5M T 4 1H5M T 4 2.613 -6.487 -5.454
45 2H5M T 4 2H5M T 4 1.173 -6.540 -6.481
46 3H5M T 4 3H5M T 4 2.774 -6.756 -7.200
47 H6 T 4 H6 T 4 4.369 -4.885 -6.921
48 1H5* A 5 1H5' A 5 7.396 0.942 -7.204
49 2H5* A 5 2H5' A 5 8.676 1.726 -6.264
50 H4* A 5 H4' A 5 6.503 2.814 -6.007
51 H3* A 5 H3' A 5 8.136 1.935 -3.768
52 H1* A 5 H1' A 5 4.351 2.256 -4.100
53 H8 A 5 H8 A 5 5.422 -1.522 -3.627
54 1H6 A 5 1H6 A 5 -0.764 -2.503 -4.204
55 2H6 A 5 2H6 A 5 0.715 -3.309 -3.720
56 H2 A 5 H2 A 5 0.014 1.807 -4.369
57 2H2* A 5 1H2' A 5 5.840 1.940 -2.227
58 1H2* A 5 2H2' A 5 6.544 0.484 -2.960
59 1H5* A 6 1H5' A 6 5.311 5.681 -4.138
60 2H5* A 6 2H5' A 6 5.941 6.974 -3.108
61 H4* A 6 H4' A 6 3.540 7.135 -3.612
62 H3* A 6 H3' A 6 4.648 7.728 -1.152
63 H1* A 6 H1' A 6 1.462 5.574 -1.475
64 H8 A 6 H8 A 6 4.681 3.413 -0.763
65 1H6 A 6 1H6 A 6 0.683 -1.354 -0.901
66 2H6 A 6 2H6 A 6 2.369 -0.884 -0.713
67 H2 A 6 H2 A 6 -1.621 2.422 -1.460
68 2H2* A 6 1H2' A 6 2.715 6.513 0.286
69 1H2* A 6 2H2' A 6 4.169 5.630 -0.103
70 1H5* T 7 1H5' T 7 0.051 7.797 -1.692
71 2H5* T 7 2H5' T 7 -0.702 9.212 -0.941
72 H4* T 7 H4' T 7 -2.105 7.179 -0.908
73 H3* T 7 H3' T 7 -1.615 8.837 1.411
74 1H2* T 7 2H2' T 7 -0.716 7.136 2.714
75 2H2* T 7 1H2' T 7 -2.343 6.586 2.912
76 H1* T 7 H1' T 7 -2.357 5.125 1.067
77 H3 T 7 H3 T 7 -0.070 1.360 2.189
78 1H5M T 7 1H5M T 7 3.943 3.912 2.618
79 2H5M T 7 2H5M T 7 3.350 5.573 2.733
80 3H5M T 7 3H5M T 7 3.251 4.490 4.140
81 H6 T 7 H6 T 7 1.003 6.009 2.483
82 1H5* T 8 1H5' T 8 -4.949 5.695 1.447
83 2H5* T 8 2H5' T 8 -6.437 6.278 2.213
84 H4* T 8 H4' T 8 -6.007 3.980 2.854
85 H3* T 8 H3' T 8 -6.244 6.095 4.838
86 1H2* T 8 2H2' T 8 -4.186 5.696 5.738
87 2H2* T 8 1H2' T 8 -4.966 4.347 6.583
88 H1* T 8 H1' T 8 -4.472 2.791 4.825
89 H3 T 8 H3 T 8 -0.163 1.315 4.995
90 1H5M T 8 1H5M T 8 0.382 6.098 6.856
91 2H5M T 8 2H5M T 8 1.558 5.631 5.620
92 3H5M T 8 3H5M T 8 0.187 6.655 5.179
93 H6 T 8 H6 T 8 -2.062 5.712 5.346
94 1H5* T 9 1H5' T 9 -7.482 1.489 5.923
95 2H5* T 9 2H5' T 9 -8.725 1.646 7.173
96 H4* T 9 H4' T 9 -7.361 -0.359 7.560
97 H3* T 9 H3' T 9 -7.331 1.900 9.552
98 1H2* T 9 2H2' T 9 -5.305 1.332 10.469
99 2H2* T 9 1H2' T 9 -5.673 -0.431 10.429
100 H1* T 9 H1' T 9 -4.546 -0.697 8.502
101 H3 T 9 H3 T 9 -0.348 1.042 8.147
102 1H5M T 9 1H5M T 9 -1.906 5.471 8.205
103 2H5M T 9 2H5M T 9 -3.666 5.317 8.260
104 3H5M T 9 3H5M T 9 -2.723 5.216 9.754
105 H6 T 9 H6 T 9 -4.651 3.179 8.559
106 1H5* A 10 1H5' A 10 -7.775 -2.571 11.044
107 2H5* A 10 2H5' A 10 -8.881 -2.655 12.425
108 H4* A 10 H4' A 10 -6.832 -4.131 12.523
109 H3* A 10 H3' A 10 -7.997 -2.811 14.693
110 H1* A 10 H1' A 10 -4.207 -2.949 14.061
111 H8 A 10 H8 A 10 -5.322 0.654 14.348
112 1H6 A 10 1H6 A 10 -0.164 2.049 11.120
113 2H6 A 10 2H6 A 10 -1.345 2.694 12.264
114 H2 A 10 H2 A 10 -0.829 -2.281 10.849
115 2H2* A 10 1H2' A 10 -5.624 -2.094 15.810
116 1H2* A 10 2H2' A 10 -6.524 -1.058 14.678
117 1H5* C 11 1H5' C 11 -4.566 -6.024 15.345
118 2H5* C 11 2H5' C 11 -4.484 -6.676 16.990
119 H4* C 11 H4' C 11 -2.303 -6.240 15.757
120 H3* C 11 H3' C 11 -2.685 -5.889 18.524
121 H1* C 11 H1' C 11 -0.715 -3.594 16.257
122 1H4 C 11 1H4 C 11 -3.768 2.447 16.447
123 2H4 C 11 2H4 C 11 -2.433 2.526 15.331
124 H5 C 11 H5 C 11 -4.376 0.347 17.491
125 H6 C 11 H6 C 11 -3.991 -2.058 17.566
126 2H2* C 11 1H2' C 11 -1.096 -3.660 18.622
127 1H2* C 11 2H2' C 11 -2.875 -3.565 18.417
128 H3 C 11 H3 C 11 -1.010 0.798 15.100
129 1H5* C 12 1H5' C 12 1.542 -4.929 16.541
130 2H5* C 12 2H5' C 12 2.549 -6.027 17.504
131 H4* C 12 H4' C 12 3.981 -4.308 16.792
132 H3* C 12 H3' C 12 3.522 -4.630 19.603
133 H1* C 12 H1' C 12 4.218 -1.370 17.697
134 1H4 C 12 1H4 C 12 -1.320 2.378 17.885
135 2H4 C 12 2H4 C 12 -0.281 3.176 19.099
136 H5 C 12 H5 C 12 -1.101 -0.255 18.626
137 H6 C 12 H6 C 12 0.570 -2.025 18.377
138 2H2* C 12 1H2' C 12 4.184 -1.982 20.018
139 1H2* C 12 2H2' C 12 2.478 -2.560 19.901
140 H3 C 12 H3 C 12 1.907 2.613 18.376
141 1H5* C 1 1H5' C 1 6.573 3.250 -20.037
142 2H5* C 1 2H5' C 1 7.186 4.750 -19.319
143 H4* C 1 H4' C 1 4.810 4.932 -19.638
144 H3* C 1 H3' C 1 5.997 5.431 -17.138
145 H1* C 1 H1' C 1 2.661 3.809 -17.707
146 1H4 C 1 1H4 C 1 3.009 -2.726 -16.280
147 2H4 C 1 2H4 C 1 1.352 -2.171 -16.609
148 H5 C 1 H5 C 1 4.860 -1.067 -16.433
149 H6 C 1 H6 C 1 5.342 1.255 -16.973
150 2H2* C 1 1H2' C 1 3.921 4.392 -15.722
151 1H2* C 1 2H2' C 1 5.288 3.376 -16.206
152 1H5* C 2 1H5' C 2 1.396 6.217 -17.726
153 2H5* C 2 2H5' C 2 0.931 7.723 -16.919
154 H4* C 2 H4' C 2 -0.818 5.989 -16.909
155 H3* C 2 H3' C 2 -0.045 7.500 -14.590
156 H1* C 2 H1' C 2 -1.362 3.989 -14.875
157 1H4 C 2 1H4 C 2 3.434 -0.358 -13.310
158 2H4 C 2 2H4 C 2 1.854 -1.161 -13.376
159 H5 C 2 H5 C 2 3.615 2.039 -13.655
160 H6 C 2 H6 C 2 2.361 4.023 -14.238
161 2H2* C 2 1H2' C 2 -0.944 5.430 -13.002
162 1H2* C 2 2H2' C 2 0.755 5.657 -13.427
163 1H5* T 3 1H5' T 3 -3.864 4.982 -15.034
164 2H5* T 3 2H5' T 3 -5.281 5.913 -14.527
165 H4* T 3 H4' T 3 -5.501 3.454 -14.318
166 H3* T 3 H3' T 3 -6.376 5.341 -12.387
167 1H2* T 3 2H2' T 3 -4.759 4.818 -10.844
168 2H2* T 3 1H2' T 3 -5.897 3.570 -10.322
169 H1* T 3 H1' T 3 -4.954 1.907 -11.767
170 H3 T 3 H3 T 3 -1.014 0.228 -10.185
171 1H5M T 3 1H5M T 3 -0.270 5.482 -10.333
172 2H5M T 3 2H5M T 3 -0.785 5.218 -8.654
173 3H5M T 3 3H5M T 3 0.716 4.489 -9.248
174 H6 T 3 H6 T 3 -2.724 4.707 -10.524
175 1H5* A 4 1H5' A 4 -7.146 0.873 -12.210
176 2H5* A 4 2H5' A 4 -8.850 0.556 -11.858
177 H4* A 4 H4' A 4 -7.501 -1.244 -11.047
178 H3* A 4 H3' A 4 -9.203 0.313 -9.234
179 H1* A 4 H1' A 4 -6.076 -1.805 -8.762
180 H8 A 4 H8 A 4 -5.528 1.767 -7.450
181 1H6 A 4 1H6 A 4 0.541 -0.049 -7.324
182 2H6 A 4 2H6 A 4 -0.435 1.389 -7.077
183 H2 A 4 H2 A 4 -1.962 -3.473 -7.959
184 2H2* A 4 1H2' A 4 -7.685 -0.826 -7.179
185 1H2* A 4 2H2' A 4 -7.429 0.792 -7.829
186 1H5* T 5 1H5' T 5 -7.618 -3.763 -8.472
187 2H5* T 5 2H5' T 5 -8.691 -4.865 -7.593
188 H4* T 5 H4' T 5 -6.475 -5.106 -6.746
189 H3* T 5 H3' T 5 -8.629 -4.244 -4.988
190 1H2* T 5 2H2' T 5 -7.580 -2.192 -4.859
191 2H2* T 5 1H2' T 5 -6.844 -2.847 -3.413
192 H1* T 5 H1' T 5 -5.028 -3.877 -4.829
193 H3 T 5 H3 T 5 -1.748 -0.904 -4.349
194 1H5M T 5 1H5M T 5 -5.311 1.542 -2.114
195 2H5M T 5 2H5M T 5 -4.993 2.592 -3.514
196 3H5M T 5 3H5M T 5 -6.499 1.670 -3.441
197 H6 T 5 H6 T 5 -6.509 -0.455 -4.438
198 1H5* T 6 1H5' T 6 -4.660 -6.401 -4.203
199 2H5* T 6 2H5' T 6 -5.146 -7.755 -3.174
200 H4* T 6 H4' T 6 -2.754 -7.417 -3.114
201 H3* T 6 H3' T 6 -4.441 -7.516 -0.772
202 1H2* T 6 2H2' T 6 -3.812 -5.550 0.189
203 2H2* T 6 1H2' T 6 -2.230 -6.266 0.502
204 H1* T 6 H1' T 6 -1.204 -5.332 -1.338
205 H3 T 6 H3 T 6 -1.144 -0.757 -0.938
206 1H5M T 6 1H5M T 6 -5.916 -1.136 0.133
207 2H5M T 6 2H5M T 6 -5.932 -0.761 -1.595
208 3H5M T 6 3H5M T 6 -6.380 -2.378 -1.039
209 H6 T 6 H6 T 6 -4.712 -3.978 -1.184
210 1H5* A 7 1H5' A 7 0.006 -8.017 -0.302
211 2H5* A 7 2H5' A 7 0.430 -9.423 0.690
212 H4* A 7 H4' A 7 1.928 -7.555 1.104
213 H3* A 7 H3' A 7 0.439 -8.871 3.225
214 H1* A 7 H1' A 7 1.671 -5.273 2.926
215 H8 A 7 H8 A 7 -2.243 -5.394 3.336
216 1H6 A 7 1H6 A 7 -1.914 0.669 1.847
217 2H6 A 7 2H6 A 7 -3.011 -0.596 2.389
218 H2 A 7 H2 A 7 2.177 -0.951 1.980
219 2H2* A 7 1H2' A 7 0.776 -6.587 4.749
220 1H2* A 7 2H2' A 7 -0.695 -6.970 3.831
221 1H5* A 8 1H5' A 8 4.628 -6.753 3.397
222 2H5* A 8 2H5' A 8 5.616 -7.705 4.515
223 H4* A 8 H4' A 8 6.435 -5.451 4.309
224 H3* A 8 H3' A 8 6.075 -6.733 6.756
225 H1* A 8 H1' A 8 5.086 -3.046 6.172
226 H8 A 8 H8 A 8 1.986 -5.457 6.385
227 1H6 A 8 1H6 A 8 -1.287 -0.259 5.247
228 2H6 A 8 2H6 A 8 -1.413 -1.975 5.616
229 H2 A 8 H2 A 8 3.018 0.780 5.287
230 2H2* A 8 1H2' A 8 5.161 -4.513 8.051
231 1H2* A 8 2H2' A 8 4.068 -5.682 7.295
232 1H5* A 9 1H5' A 9 8.343 -2.418 6.539
233 2H5* A 9 2H5' A 9 9.702 -2.608 7.660
234 H4* A 9 H4' A 9 8.996 -0.293 7.516
235 H3* A 9 H3' A 9 9.553 -1.525 9.914
236 H1* A 9 H1' A 9 6.490 0.689 9.477
237 H8 A 9 H8 A 9 5.386 -3.042 9.778
238 1H6 A 9 1H6 A 9 -0.294 -0.893 8.547
239 2H6 A 9 2H6 A 9 0.681 -2.318 8.889
240 H2 A 9 H2 A 9 2.556 2.522 8.242
241 2H2* A 9 1H2' A 9 7.413 -0.639 11.277
242 1H2* A 9 2H2' A 9 7.306 -2.132 10.344
243 1H5* T 10 1H5' T 10 7.953 2.920 9.987
244 2H5* T 10 2H5' T 10 8.779 3.850 11.246
245 H4* T 10 H4' T 10 6.464 4.565 10.897
246 H3* T 10 H3' T 10 7.511 3.880 13.519
247 1H2* T 10 2H2' T 10 5.972 2.239 13.893
248 2H2* T 10 1H2' T 10 4.880 3.566 14.291
249 H1* T 10 H1' T 10 4.024 3.723 12.054
250 H3 T 10 H3 T 10 0.935 0.388 11.514
251 1H5M T 10 1H5M T 10 4.467 -2.215 14.116
252 2H5M T 10 2H5M T 10 4.065 -2.953 12.557
253 3H5M T 10 3H5M T 10 5.577 -2.058 12.737
254 H6 T 10 H6 T 10 5.484 0.373 13.038
255 1H5* C 11 1H5' C 11 4.013 6.885 12.500
256 2H5* C 11 2H5' C 11 4.062 8.234 13.648
257 H4* C 11 H4' C 11 1.812 7.825 12.763
258 H3* C 11 H3' C 11 2.423 8.134 15.516
259 H1* C 11 H1' C 11 -0.197 5.660 14.024
260 1H4 C 11 1H4 C 11 2.855 -0.154 15.426
261 2H4 C 11 2H4 C 11 1.190 -0.430 14.883
262 H5 C 11 H5 C 11 3.688 2.133 15.669
263 H6 C 11 H6 C 11 3.109 4.468 15.377
264 2H2* C 11 1H2' C 11 0.171 6.607 16.131
265 1H2* C 11 2H2' C 11 1.843 6.044 16.225
266 1H5* C 12 1H5' C 12 -1.554 8.181 16.717
267 2H5* C 12 2H5' C 12 -1.849 9.721 17.542
268 H4* C 12 H4' C 12 -2.061 7.817 19.085
269 H3* C 12 H3' C 12 -0.570 10.117 19.702
270 H1* C 12 H1' C 12 0.366 6.637 20.601
271 1H4 C 12 1H4 C 12 5.393 4.359 16.860
272 2H4 C 12 2H4 C 12 4.524 3.002 17.685
273 H5 C 12 H5 C 12 4.744 6.663 17.337
274 H6 C 12 H6 C 12 3.002 8.020 18.294
275 2H2* C 12 1H2' C 12 1.403 8.762 20.981
276 1H2* C 12 2H2' C 12 1.500 9.123 19.232
Start of MODEL 2
1 1H5* C 1 1H5' C 1 -5.087 -2.993 -22.128
2 2H5* C 1 2H5' C 1 -5.922 -4.524 -21.789
3 H4* C 1 H4' C 1 -3.596 -4.807 -21.314
4 H3* C 1 H3' C 1 -5.525 -5.248 -19.250
5 H1* C 1 H1' C 1 -1.951 -3.910 -18.899
6 1H4 C 1 1H4 C 1 -2.270 2.005 -15.812
7 2H4 C 1 2H4 C 1 -1.114 2.227 -17.105
8 H5 C 1 H5 C 1 -4.299 0.978 -17.816
9 H6 C 1 H6 C 1 -4.699 -1.285 -18.666
10 2H2* C 1 1H2' C 1 -3.603 -4.681 -17.346
11 1H2* C 1 2H2' C 1 -4.800 -3.472 -17.910
12 H3 C 1 H3 C 1 -0.408 -0.089 -16.808
13 1H5* C 2 1H5' C 2 -1.136 -6.488 -18.785
14 2H5* C 2 2H5' C 2 -1.114 -8.154 -18.171
15 H4* C 2 H4' C 2 0.820 -6.880 -17.420
16 H3* C 2 H3' C 2 -0.931 -8.273 -15.593
17 H1* C 2 H1' C 2 1.050 -4.972 -15.031
18 1H4 C 2 1H4 C 2 -3.502 -0.581 -12.896
19 2H4 C 2 2H4 C 2 -2.707 0.260 -14.186
20 H5 C 2 H5 C 2 -4.066 -2.866 -14.845
21 H6 C 2 H6 C 2 -2.740 -4.853 -15.376
22 2H2* C 2 1H2' C 2 0.072 -6.580 -13.606
23 1H2* C 2 2H2' C 2 -1.541 -6.420 -14.355
24 H3 C 2 H3 C 2 -0.636 -0.904 -13.552
25 1H5* A 3 1H5' A 3 3.340 -7.026 -14.505
26 2H5* A 3 2H5' A 3 4.173 -8.323 -13.641
27 H4* A 3 H4' A 3 4.766 -5.876 -13.179
28 H3* A 3 H3' A 3 4.751 -8.066 -11.273
29 H1* A 3 H1' A 3 4.027 -4.332 -10.857
30 H8 A 3 H8 A 3 1.034 -6.511 -9.813
31 1H6 A 3 1H6 A 3 -2.098 -1.244 -11.066
32 2H6 A 3 2H6 A 3 -2.314 -2.960 -10.732
33 H2 A 3 H2 A 3 2.161 -0.276 -10.578
34 2H2* A 3 1H2' A 3 4.514 -6.093 -9.323
35 1H2* A 3 2H2' A 3 3.166 -7.076 -9.844
36 1H5* T 4 1H5' T 4 6.608 -3.981 -10.921
37 2H5* T 4 2H5' T 4 8.223 -3.970 -10.201
38 H4* T 4 H4' T 4 6.995 -1.926 -9.696
39 H3* T 4 H3' T 4 8.110 -3.660 -7.622
40 1H2* T 4 2H2' T 4 6.154 -3.836 -6.468
41 2H2* T 4 1H2' T 4 6.406 -2.195 -5.907
42 H1* T 4 H1' T 4 5.114 -1.205 -7.682
43 H3 T 4 H3 T 4 0.682 -1.926 -6.756
44 1H5M T 4 1H5M T 4 3.005 -6.827 -6.949
45 2H5M T 4 2H5M T 4 2.410 -6.458 -5.320
46 3H5M T 4 3H5M T 4 1.272 -6.619 -6.667
47 H6 T 4 H6 T 4 4.414 -4.945 -6.964
48 1H5* A 5 1H5' A 5 7.494 0.858 -7.251
49 2H5* A 5 2H5' A 5 8.789 1.621 -6.313
50 H4* A 5 H4' A 5 6.622 2.722 -6.030
51 H3* A 5 H3' A 5 8.272 1.810 -3.810
52 H1* A 5 H1' A 5 4.487 2.172 -4.114
53 H8 A 5 H8 A 5 5.529 -1.616 -3.654
54 1H6 A 5 1H6 A 5 -0.671 -2.541 -4.187
55 2H6 A 5 2H6 A 5 0.806 -3.360 -3.717
56 H2 A 5 H2 A 5 0.147 1.764 -4.361
57 2H2* A 5 1H2' A 5 5.984 1.843 -2.252
58 1H2* A 5 2H2' A 5 6.669 0.380 -2.988
59 1H5* A 6 1H5' A 6 5.491 5.573 -4.164
60 2H5* A 6 2H5' A 6 6.133 6.868 -3.145
61 H4* A 6 H4' A 6 3.731 7.040 -3.645
62 H3* A 6 H3' A 6 4.852 7.639 -1.189
63 H1* A 6 H1' A 6 1.644 5.510 -1.500
64 H8 A 6 H8 A 6 4.848 3.332 -0.765
65 1H6 A 6 1H6 A 6 0.821 -1.411 -0.895
66 2H6 A 6 2H6 A 6 2.509 -0.949 -0.701
67 H2 A 6 H2 A 6 -1.459 2.376 -1.474
68 2H2* A 6 1H2' A 6 2.901 6.455 0.254
69 1H2* A 6 2H2' A 6 4.347 5.557 -0.120
70 1H5* T 7 1H5' T 7 0.260 7.760 -1.742
71 2H5* T 7 2H5' T 7 -0.479 9.188 -1.006
72 H4* T 7 H4' T 7 -1.906 7.174 -0.967
73 H3* T 7 H3' T 7 -1.413 8.843 1.341
74 1H2* T 7 2H2' T 7 -0.534 7.148 2.662
75 2H2* T 7 1H2' T 7 -2.166 6.615 2.860
76 H1* T 7 H1' T 7 -2.185 5.132 1.033
77 H3 T 7 H3 T 7 0.073 1.364 2.211
78 1H5M T 7 1H5M T 7 4.100 3.906 2.604
79 2H5M T 7 2H5M T 7 3.511 5.566 2.739
80 3H5M T 7 3H5M T 7 3.412 4.469 4.134
81 H6 T 7 H6 T 7 1.177 6.008 2.449
82 1H5* T 8 1H5' T 8 -4.778 5.733 1.392
83 2H5* T 8 2H5' T 8 -6.261 6.333 2.154
84 H4* T 8 H4' T 8 -5.850 4.036 2.808
85 H3* T 8 H3' T 8 -6.066 6.163 4.784
86 1H2* T 8 2H2' T 8 -4.020 5.737 5.697
87 2H2* T 8 1H2' T 8 -4.819 4.393 6.532
88 H1* T 8 H1' T 8 -4.331 2.837 4.776
89 H3 T 8 H3 T 8 -0.040 1.320 5.004
90 1H5M T 8 1H5M T 8 0.496 6.150 6.805
91 2H5M T 8 2H5M T 8 1.724 5.613 5.649
92 3H5M T 8 3H5M T 8 0.393 6.640 5.099
93 H6 T 8 H6 T 8 -1.897 5.739 5.292
94 1H5* T 9 1H5' T 9 -7.396 1.569 5.840
95 2H5* T 9 2H5' T 9 -8.638 1.742 7.088
96 H4* T 9 H4' T 9 -7.322 -0.300 7.448
97 H3* T 9 H3' T 9 -7.270 1.923 9.475
98 1H2* T 9 2H2' T 9 -5.254 1.327 10.391
99 2H2* T 9 1H2' T 9 -5.638 -0.433 10.335
100 H1* T 9 H1' T 9 -4.498 -0.690 8.414
101 H3 T 9 H3 T 9 -0.288 1.032 8.130
102 1H5M T 9 1H5M T 9 -1.879 5.468 8.103
103 2H5M T 9 2H5M T 9 -3.629 5.316 8.307
104 3H5M T 9 3H5M T 9 -2.563 5.216 9.715
105 H6 T 9 H6 T 9 -4.589 3.184 8.491
106 1H5* A 10 1H5' A 10 -7.761 -2.572 10.914
107 2H5* A 10 2H5' A 10 -8.886 -2.652 12.280
108 H4* A 10 H4' A 10 -6.862 -4.160 12.391
109 H3* A 10 H3' A 10 -8.040 -2.855 14.557
110 H1* A 10 H1' A 10 -4.238 -2.998 13.984
111 H8 A 10 H8 A 10 -5.360 0.604 14.256
112 1H6 A 10 1H6 A 10 -0.152 2.003 11.111
113 2H6 A 10 2H6 A 10 -1.360 2.652 12.224
114 H2 A 10 H2 A 10 -0.796 -2.329 10.848
115 2H2* A 10 1H2' A 10 -5.679 -2.155 15.713
116 1H2* A 10 2H2' A 10 -6.560 -1.107 14.577
117 1H5* C 11 1H5' C 11 -4.598 -6.045 15.257
118 2H5* C 11 2H5' C 11 -4.544 -6.707 16.900
119 H4* C 11 H4' C 11 -2.341 -6.227 15.721
120 H3* C 11 H3' C 11 -2.793 -5.898 18.480
121 H1* C 11 H1' C 11 -0.801 -3.576 16.271
122 1H4 C 11 1H4 C 11 -3.879 2.452 16.401
123 2H4 C 11 2H4 C 11 -2.546 2.525 15.280
124 H5 C 11 H5 C 11 -4.498 0.354 17.434
125 H6 C 11 H6 C 11 -4.102 -2.050 17.527
126 2H2* C 11 1H2' C 11 -1.239 -3.646 18.628
127 1H2* C 11 2H2' C 11 -3.013 -3.574 18.377
128 H3 C 11 H3 C 11 -1.100 0.807 15.088
129 1H5* C 12 1H5' C 12 1.449 -4.873 16.575
130 2H5* C 12 2H5' C 12 2.452 -5.966 17.546
131 H4* C 12 H4' C 12 3.879 -4.232 16.863
132 H3* C 12 H3' C 12 3.382 -4.573 19.665
133 H1* C 12 H1' C 12 4.081 -1.299 17.786
134 1H4 C 12 1H4 C 12 -1.478 2.410 17.883
135 2H4 C 12 2H4 C 12 -0.469 3.218 19.115
136 H5 C 12 H5 C 12 -1.260 -0.221 18.626
137 H6 C 12 H6 C 12 0.425 -1.981 18.406
138 2H2* C 12 1H2' C 12 4.020 -1.922 20.103
139 1H2* C 12 2H2' C 12 2.320 -2.512 19.961
140 H3 C 12 H3 C 12 1.735 2.666 18.446
141 1H5* C 1 1H5' C 1 6.355 3.339 -20.158
142 2H5* C 1 2H5' C 1 6.968 4.846 -19.452
143 H4* C 1 H4' C 1 4.586 5.008 -19.738
144 H3* C 1 H3' C 1 5.811 5.520 -17.256
145 H1* C 1 H1' C 1 2.469 3.893 -17.783
146 1H4 C 1 1H4 C 1 2.844 -2.640 -16.351
147 2H4 C 1 2H4 C 1 1.188 -2.096 -16.700
148 H5 C 1 H5 C 1 4.686 -0.968 -16.485
149 H6 C 1 H6 C 1 5.159 1.354 -17.026
150 2H2* C 1 1H2' C 1 3.743 4.493 -15.814
151 1H2* C 1 2H2' C 1 5.110 3.476 -16.299
152 1H5* C 2 1H5' C 2 1.217 6.297 -17.787
153 2H5* C 2 2H5' C 2 0.741 7.797 -16.973
154 H4* C 2 H4' C 2 -0.980 6.031 -16.940
155 H3* C 2 H3' C 2 -0.189 7.547 -14.622
156 H1* C 2 H1' C 2 -1.487 4.031 -14.936
157 1H4 C 2 1H4 C 2 3.316 -0.302 -13.350
158 2H4 C 2 2H4 C 2 1.739 -1.108 -13.424
159 H5 C 2 H5 C 2 3.490 2.098 -13.689
160 H6 C 2 H6 C 2 2.234 4.077 -14.284
161 2H2* C 2 1H2' C 2 -1.081 5.458 -13.046
162 1H2* C 2 2H2' C 2 0.617 5.700 -13.469
163 1H5* T 3 1H5' T 3 -3.982 5.002 -15.026
164 2H5* T 3 2H5' T 3 -5.407 5.914 -14.506
165 H4* T 3 H4' T 3 -5.588 3.454 -14.279
166 H3* T 3 H3' T 3 -6.455 5.339 -12.339
167 1H2* T 3 2H2' T 3 -4.795 4.839 -10.831
168 2H2* T 3 1H2' T 3 -5.916 3.588 -10.275
169 H1* T 3 H1' T 3 -4.999 1.926 -11.746
170 H3 T 3 H3 T 3 -1.048 0.233 -10.204
171 1H5M T 3 1H5M T 3 -0.795 5.176 -8.589
172 2H5M T 3 2H5M T 3 0.691 4.493 -9.269
173 3H5M T 3 3H5M T 3 -0.348 5.511 -10.275
174 H6 T 3 H6 T 3 -2.761 4.716 -10.498
175 1H5* A 4 1H5' A 4 -7.158 0.859 -12.139
176 2H5* A 4 2H5' A 4 -8.854 0.527 -11.765
177 H4* A 4 H4' A 4 -7.488 -1.264 -10.974
178 H3* A 4 H3' A 4 -9.166 0.288 -9.131
179 H1* A 4 H1' A 4 -6.029 -1.828 -8.718
180 H8 A 4 H8 A 4 -5.462 1.740 -7.402
181 1H6 A 4 1H6 A 4 0.604 -0.091 -7.335
182 2H6 A 4 2H6 A 4 -0.364 1.351 -7.079
183 H2 A 4 H2 A 4 -1.904 -3.499 -7.990
184 2H2* A 4 1H2' A 4 -7.613 -0.858 -7.105
185 1H2* A 4 2H2' A 4 -7.370 0.764 -7.749
186 1H5* T 5 1H5' T 5 -7.567 -3.785 -8.397
187 2H5* T 5 2H5' T 5 -8.627 -4.890 -7.506
188 H4* T 5 H4' T 5 -6.404 -5.130 -6.682
189 H3* T 5 H3' T 5 -8.537 -4.262 -4.901
190 1H2* T 5 2H2' T 5 -7.481 -2.212 -4.786
191 2H2* T 5 1H2' T 5 -6.730 -2.869 -3.348
192 H1* T 5 H1' T 5 -4.934 -3.902 -4.786
193 H3 T 5 H3 T 5 -1.637 -0.932 -4.382
194 1H5M T 5 1H5M T 5 -5.155 1.521 -2.072
195 2H5M T 5 2H5M T 5 -4.856 2.569 -3.478
196 3H5M T 5 3H5M T 5 -6.364 1.653 -3.380
197 H6 T 5 H6 T 5 -6.399 -0.478 -4.369
198 1H5* T 6 1H5' T 6 -4.568 -6.436 -4.157
199 2H5* T 6 2H5' T 6 -5.046 -7.786 -3.117
200 H4* T 6 H4' T 6 -2.651 -7.448 -3.093
201 H3* T 6 H3' T 6 -4.306 -7.570 -0.736
202 1H2* T 6 2H2' T 6 -3.693 -5.592 0.215
203 2H2* T 6 1H2' T 6 -2.110 -6.302 0.536
204 H1* T 6 H1' T 6 -1.086 -5.375 -1.315
205 H3 T 6 H3 T 6 -1.001 -0.801 -0.928
206 1H5M T 6 1H5M T 6 -5.769 -1.172 0.190
207 2H5M T 6 2H5M T 6 -5.790 -0.769 -1.533
208 3H5M T 6 3H5M T 6 -6.247 -2.392 -1.000
209 H6 T 6 H6 T 6 -4.587 -4.005 -1.132
210 1H5* A 7 1H5' A 7 0.153 -8.015 -0.281
211 2H5* A 7 2H5' A 7 0.592 -9.420 0.707
212 H4* A 7 H4' A 7 2.066 -7.542 1.143
213 H3* A 7 H3' A 7 0.560 -8.868 3.249
214 H1* A 7 H1' A 7 1.788 -5.271 2.957
215 H8 A 7 H8 A 7 -2.128 -5.381 3.354
216 1H6 A 7 1H6 A 7 -1.772 0.677 1.845
217 2H6 A 7 2H6 A 7 -2.877 -0.580 2.387
218 H2 A 7 H2 A 7 2.311 -0.956 2.004
219 2H2* A 7 1H2' A 7 0.876 -6.584 4.775
220 1H2* A 7 2H2' A 7 -0.585 -6.969 3.844
221 1H5* A 8 1H5' A 8 4.757 -6.734 3.496
222 2H5* A 8 2H5' A 8 5.719 -7.703 4.623
223 H4* A 8 H4' A 8 6.553 -5.453 4.471
224 H3* A 8 H3' A 8 6.121 -6.760 6.890
225 H1* A 8 H1' A 8 5.153 -3.066 6.330
226 H8 A 8 H8 A 8 2.038 -5.462 6.453
227 1H6 A 8 1H6 A 8 -1.180 -0.247 5.236
228 2H6 A 8 2H6 A 8 -1.326 -1.960 5.609
229 H2 A 8 H2 A 8 3.131 0.761 5.335
230 2H2* A 8 1H2' A 8 5.161 -4.565 8.187
231 1H2* A 8 2H2' A 8 4.095 -5.719 7.376
232 1H5* A 9 1H5' A 9 8.454 -2.459 6.799
233 2H5* A 9 2H5' A 9 9.755 -2.675 7.979
234 H4* A 9 H4' A 9 9.094 -0.349 7.807
235 H3* A 9 H3' A 9 9.532 -1.586 10.226
236 H1* A 9 H1' A 9 6.503 0.659 9.664
237 H8 A 9 H8 A 9 5.398 -3.080 9.869
238 1H6 A 9 1H6 A 9 -0.251 -0.905 8.546
239 2H6 A 9 2H6 A 9 0.714 -2.337 8.895
240 H2 A 9 H2 A 9 2.616 2.502 8.313
241 2H2* A 9 1H2' A 9 7.344 -0.664 11.497
242 1H2* A 9 2H2' A 9 7.268 -2.163 10.569
243 1H5* T 10 1H5' T 10 7.997 2.877 10.226
244 2H5* T 10 2H5' T 10 8.782 3.805 11.512
245 H4* T 10 H4' T 10 6.483 4.536 11.056
246 H3* T 10 H3' T 10 7.436 3.894 13.721
247 1H2* T 10 2H2' T 10 5.883 2.266 14.080
248 2H2* T 10 1H2' T 10 4.778 3.603 14.409
249 H1* T 10 H1' T 10 3.994 3.706 12.148
250 H3 T 10 H3 T 10 0.950 0.346 11.533
251 1H5M T 10 1H5M T 10 5.543 -2.013 13.195
252 2H5M T 10 2H5M T 10 4.221 -2.224 14.364
253 3H5M T 10 3H5M T 10 4.110 -2.945 12.749
254 H6 T 10 H6 T 10 5.427 0.381 13.263
255 1H5* C 11 1H5' C 11 3.962 6.897 12.567
256 2H5* C 11 2H5' C 11 3.979 8.253 13.707
257 H4* C 11 H4' C 11 1.752 7.830 12.771
258 H3* C 11 H3' C 11 2.299 8.153 15.539
259 H1* C 11 H1' C 11 -0.285 5.671 13.986
260 1H4 C 11 1H4 C 11 2.748 -0.120 15.522
261 2H4 C 11 2H4 C 11 1.102 -0.406 14.930
262 H5 C 11 H5 C 11 3.563 2.174 15.776
263 H6 C 11 H6 C 11 2.982 4.505 15.451
264 2H2* C 11 1H2' C 11 0.017 6.641 16.093
265 1H2* C 11 2H2' C 11 1.682 6.076 16.250
266 1H5* C 12 1H5' C 12 -1.705 8.224 16.636
267 2H5* C 12 2H5' C 12 -2.018 9.772 17.440
268 H4* C 12 H4' C 12 -2.278 7.879 18.991
269 H3* C 12 H3' C 12 -0.806 10.181 19.634
270 H1* C 12 H1' C 12 0.112 6.707 20.581
271 1H4 C 12 1H4 C 12 5.242 4.422 16.984
272 2H4 C 12 2H4 C 12 4.362 3.067 17.802
273 H5 C 12 H5 C 12 4.561 6.724 17.412
274 H6 C 12 H6 C 12 2.791 8.081 18.313
275 2H2* C 12 1H2' C 12 1.131 8.836 20.976
276 1H2* C 12 2H2' C 12 1.278 9.187 19.230
Start of MODEL 3
1 1H5* C 1 1H5' C 1 -4.916 -2.183 -22.234
2 2H5* C 1 2H5' C 1 -5.767 -3.728 -22.016
3 H4* C 1 H4' C 1 -3.456 -4.060 -21.507
4 H3* C 1 H3' C 1 -5.435 -4.611 -19.517
5 H1* C 1 H1' C 1 -1.857 -3.320 -19.001
6 1H4 C 1 1H4 C 1 -2.270 2.383 -15.549
7 2H4 C 1 2H4 C 1 -1.089 2.699 -16.802
8 H5 C 1 H5 C 1 -4.246 1.485 -17.665
9 H6 C 1 H6 C 1 -4.614 -0.718 -18.672
10 2H2* C 1 1H2' C 1 -3.542 -4.190 -17.542
11 1H2* C 1 2H2' C 1 -4.725 -2.941 -18.045
12 H3 C 1 H3 C 1 -0.374 0.367 -16.638
13 1H5* C 2 1H5' C 2 -1.072 -5.942 -19.067
14 2H5* C 2 2H5' C 2 -1.082 -7.644 -18.563
15 H4* C 2 H4' C 2 0.865 -6.454 -17.714
16 H3* C 2 H3' C 2 -0.937 -7.920 -15.988
17 H1* C 2 H1' C 2 1.097 -4.675 -15.211
18 1H4 C 2 1H4 C 2 -3.513 -0.458 -12.865
19 2H4 C 2 2H4 C 2 -2.707 0.474 -14.084
20 H5 C 2 H5 C 2 -4.034 -2.619 -14.947
21 H6 C 2 H6 C 2 -2.688 -4.561 -15.582
22 2H2* C 2 1H2' C 2 0.145 -6.378 -13.902
23 1H2* C 2 2H2' C 2 -1.484 -6.162 -14.601
24 H3 C 2 H3 C 2 -0.633 -0.708 -13.512
25 1H5* A 3 1H5' A 3 3.367 -6.896 -14.831
26 2H5* A 3 2H5' A 3 4.163 -8.252 -14.027
27 H4* A 3 H4' A 3 4.781 -5.829 -13.434
28 H3* A 3 H3' A 3 4.757 -8.125 -11.665
29 H1* A 3 H1' A 3 4.042 -4.426 -11.028
30 H8 A 3 H8 A 3 1.039 -6.639 -10.089
31 1H6 A 3 1H6 A 3 -2.069 -1.300 -11.098
32 2H6 A 3 2H6 A 3 -2.290 -3.031 -10.867
33 H2 A 3 H2 A 3 2.198 -0.383 -10.510
34 2H2* A 3 1H2' A 3 4.496 -6.294 -9.592
35 1H2* A 3 2H2' A 3 3.151 -7.229 -10.205
36 1H5* T 4 1H5' T 4 6.603 -4.066 -11.016
37 2H5* T 4 2H5' T 4 8.210 -4.112 -10.280
38 H4* T 4 H4' T 4 6.996 -2.105 -9.643
39 H3* T 4 H3' T 4 8.050 -3.998 -7.671
40 1H2* T 4 2H2' T 4 6.067 -4.214 -6.570
41 2H2* T 4 1H2' T 4 6.335 -2.620 -5.897
42 H1* T 4 H1' T 4 5.093 -1.491 -7.626
43 H3 T 4 H3 T 4 0.642 -2.202 -6.797
44 1H5M T 4 1H5M T 4 2.637 -6.948 -5.880
45 2H5M T 4 2H5M T 4 1.094 -6.874 -6.744
46 3H5M T 4 3H5M T 4 2.603 -7.060 -7.649
47 H6 T 4 H6 T 4 4.322 -5.262 -7.183
48 1H5* A 5 1H5' A 5 7.524 0.503 -7.131
49 2H5* A 5 2H5' A 5 8.808 1.205 -6.133
50 H4* A 5 H4' A 5 6.657 2.362 -5.920
51 H3* A 5 H3' A 5 8.227 1.410 -3.665
52 H1* A 5 H1' A 5 4.440 1.814 -4.047
53 H8 A 5 H8 A 5 5.490 -1.981 -3.677
54 1H6 A 5 1H6 A 5 -0.697 -2.921 -4.267
55 2H6 A 5 2H6 A 5 0.789 -3.742 -3.828
56 H2 A 5 H2 A 5 0.096 1.400 -4.277
57 2H2* A 5 1H2' A 5 5.900 1.476 -2.165
58 1H2* A 5 2H2' A 5 6.587 0.005 -2.883
59 1H5* A 6 1H5' A 6 5.490 5.188 -4.061
60 2H5* A 6 2H5' A 6 6.132 6.482 -3.040
61 H4* A 6 H4' A 6 3.738 6.671 -3.571
62 H3* A 6 H3' A 6 4.837 7.279 -1.108
63 H1* A 6 H1' A 6 1.615 5.160 -1.432
64 H8 A 6 H8 A 6 4.811 2.999 -0.615
65 1H6 A 6 1H6 A 6 0.820 -1.768 -0.908
66 2H6 A 6 2H6 A 6 2.497 -1.302 -0.642
67 H2 A 6 H2 A 6 -1.466 1.998 -1.519
68 2H2* A 6 1H2' A 6 2.846 6.130 0.315
69 1H2* A 6 2H2' A 6 4.296 5.222 -0.016
70 1H5* T 7 1H5' T 7 0.262 7.476 -1.741
71 2H5* T 7 2H5' T 7 -0.480 8.909 -1.014
72 H4* T 7 H4' T 7 -1.913 6.890 -1.012
73 H3* T 7 H3' T 7 -1.488 8.577 1.294
74 1H2* T 7 2H2' T 7 -0.632 6.900 2.653
75 2H2* T 7 1H2' T 7 -2.263 6.358 2.815
76 H1* T 7 H1' T 7 -2.230 4.855 1.009
77 H3 T 7 H3 T 7 0.050 1.116 2.229
78 1H5M T 7 1H5M T 7 4.036 3.699 2.723
79 2H5M T 7 2H5M T 7 3.429 5.356 2.817
80 3H5M T 7 3H5M T 7 3.304 4.281 4.227
81 H6 T 7 H6 T 7 1.091 5.775 2.498
82 1H5* T 8 1H5' T 8 -4.803 5.433 1.261
83 2H5* T 8 2H5' T 8 -6.322 6.009 1.967
84 H4* T 8 H4' T 8 -5.897 3.720 2.639
85 H3* T 8 H3' T 8 -6.225 5.845 4.601
86 1H2* T 8 2H2' T 8 -4.194 5.465 5.574
87 2H2* T 8 1H2' T 8 -5.000 4.121 6.403
88 H1* T 8 H1' T 8 -4.435 2.553 4.673
89 H3 T 8 H3 T 8 -0.132 1.091 5.029
90 1H5M T 8 1H5M T 8 0.337 5.906 6.834
91 2H5M T 8 2H5M T 8 1.557 5.416 5.651
92 3H5M T 8 3H5M T 8 0.202 6.430 5.141
93 H6 T 8 H6 T 8 -2.053 5.486 5.254
94 1H5* T 9 1H5' T 9 -7.415 1.247 5.605
95 2H5* T 9 2H5' T 9 -8.726 1.339 6.791
96 H4* T 9 H4' T 9 -7.291 -0.630 7.182
97 H3* T 9 H3' T 9 -7.566 1.532 9.239
98 1H2* T 9 2H2' T 9 -5.534 1.171 10.223
99 2H2* T 9 1H2' T 9 -5.780 -0.613 10.251
100 H1* T 9 H1' T 9 -4.606 -0.903 8.337
101 H3 T 9 H3 T 9 -0.384 0.817 8.221
102 1H5M T 9 1H5M T 9 -2.849 5.022 9.629
103 2H5M T 9 2H5M T 9 -1.914 5.249 8.144
104 3H5M T 9 3H5M T 9 -3.673 5.102 8.065
105 H6 T 9 H6 T 9 -4.692 2.974 8.376
106 1H5* A 10 1H5' A 10 -7.561 -2.884 10.904
107 2H5* A 10 2H5' A 10 -8.753 -3.041 12.207
108 H4* A 10 H4' A 10 -6.513 -4.085 12.652
109 H3* A 10 H3' A 10 -8.006 -2.528 14.532
110 H1* A 10 H1' A 10 -4.217 -2.729 14.081
111 H8 A 10 H8 A 10 -5.265 0.908 14.159
112 1H6 A 10 1H6 A 10 0.004 2.054 11.017
113 2H6 A 10 2H6 A 10 -1.195 2.777 12.095
114 H2 A 10 H2 A 10 -0.688 -2.289 11.022
115 2H2* A 10 1H2' A 10 -5.680 -1.719 15.737
116 1H2* A 10 2H2' A 10 -6.540 -0.782 14.488
117 1H5* C 11 1H5' C 11 -4.671 -5.640 15.729
118 2H5* C 11 2H5' C 11 -4.648 -6.119 17.433
119 H4* C 11 H4' C 11 -2.429 -5.775 16.219
120 H3* C 11 H3' C 11 -2.906 -5.191 18.938
121 H1* C 11 H1' C 11 -0.851 -3.129 16.532
122 1H4 C 11 1H4 C 11 -3.785 2.963 16.180
123 2H4 C 11 2H4 C 11 -2.403 2.938 15.116
124 H5 C 11 H5 C 11 -4.478 0.953 17.344
125 H6 C 11 H6 C 11 -4.146 -1.450 17.600
126 2H2* C 11 1H2' C 11 -1.286 -2.980 18.887
127 1H2* C 11 2H2' C 11 -3.058 -2.882 18.629
128 H3 C 11 H3 C 11 -1.015 1.172 15.060
129 1H5* C 12 1H5' C 12 1.389 -4.444 17.007
130 2H5* C 12 2H5' C 12 2.340 -5.487 18.081
131 H4* C 12 H4' C 12 3.837 -3.865 17.286
132 H3* C 12 H3' C 12 3.291 -3.965 20.094
133 H1* C 12 H1' C 12 4.107 -0.859 17.985
134 1H4 C 12 1H4 C 12 -1.380 2.962 17.699
135 2H4 C 12 2H4 C 12 -0.364 3.840 18.879
136 H5 C 12 H5 C 12 -1.225 0.391 18.624
137 H6 C 12 H6 C 12 0.426 -1.415 18.568
138 2H2* C 12 1H2' C 12 3.982 -1.304 20.341
139 1H2* C 12 2H2' C 12 2.271 -1.863 20.204
140 H3 C 12 H3 C 12 1.838 3.193 18.293
141 1H5* C 1 1H5' C 1 6.424 4.098 -19.623
142 2H5* C 1 2H5' C 1 7.006 5.552 -18.791
143 H4* C 1 H4' C 1 4.630 5.715 -19.121
144 H3* C 1 H3' C 1 5.789 6.054 -16.580
145 H1* C 1 H1' C 1 2.483 4.434 -17.301
146 1H4 C 1 1H4 C 1 2.904 -2.184 -16.338
147 2H4 C 1 2H4 C 1 1.246 -1.631 -16.668
148 H5 C 1 H5 C 1 4.732 -0.490 -16.333
149 H6 C 1 H6 C 1 5.189 1.872 -16.689
150 2H2* C 1 1H2' C 1 3.708 4.893 -15.265
151 1H2* C 1 2H2' C 1 5.098 3.933 -15.797
152 1H5* C 2 1H5' C 2 1.190 6.792 -17.151
153 2H5* C 2 2H5' C 2 0.682 8.230 -16.251
154 H4* C 2 H4' C 2 -1.023 6.455 -16.362
155 H3* C 2 H3' C 2 -0.283 7.820 -13.940
156 H1* C 2 H1' C 2 -1.539 4.322 -14.493
157 1H4 C 2 1H4 C 2 3.288 -0.078 -13.213
158 2H4 C 2 2H4 C 2 1.721 -0.893 -13.368
159 H5 C 2 H5 C 2 3.441 2.341 -13.338
160 H6 C 2 H6 C 2 2.174 4.350 -13.789
161 2H2* C 2 1H2' C 2 -1.161 5.627 -12.512
162 1H2* C 2 2H2' C 2 0.537 5.911 -12.903
163 1H5* T 3 1H5' T 3 -4.064 5.274 -14.533
164 2H5* T 3 2H5' T 3 -5.501 6.112 -13.926
165 H4* T 3 H4' T 3 -5.614 3.635 -13.875
166 H3* T 3 H3' T 3 -6.463 5.362 -11.758
167 1H2* T 3 2H2' T 3 -4.839 4.681 -10.291
168 2H2* T 3 1H2' T 3 -5.949 3.360 -9.912
169 H1* T 3 H1' T 3 -4.986 1.899 -11.557
170 H3 T 3 H3 T 3 -1.014 0.120 -10.174
171 1H5M T 3 1H5M T 3 -0.360 5.392 -9.814
172 2H5M T 3 2H5M T 3 -0.781 4.912 -8.156
173 3H5M T 3 3H5M T 3 0.702 4.302 -8.909
174 H6 T 3 H6 T 3 -2.785 4.588 -10.038
175 1H5* A 4 1H5' A 4 -7.215 0.902 -12.015
176 2H5* A 4 2H5' A 4 -8.908 0.531 -11.663
177 H4* A 4 H4' A 4 -7.523 -1.318 -11.040
178 H3* A 4 H3' A 4 -9.216 0.042 -9.078
179 H1* A 4 H1' A 4 -6.044 -2.035 -8.807
180 H8 A 4 H8 A 4 -5.511 1.456 -7.285
181 1H6 A 4 1H6 A 4 0.573 -0.341 -7.315
182 2H6 A 4 2H6 A 4 -0.399 1.078 -6.956
183 H2 A 4 H2 A 4 -1.917 -3.713 -8.160
184 2H2* A 4 1H2' A 4 -7.637 -1.192 -7.133
185 1H2* A 4 2H2' A 4 -7.417 0.471 -7.680
186 1H5* T 5 1H5' T 5 -7.529 -4.057 -8.602
187 2H5* T 5 2H5' T 5 -8.574 -5.225 -7.775
188 H4* T 5 H4' T 5 -6.348 -5.468 -6.951
189 H3* T 5 H3' T 5 -8.506 -4.740 -5.140
190 1H2* T 5 2H2' T 5 -7.495 -2.673 -4.911
191 2H2* T 5 1H2' T 5 -6.737 -3.394 -3.506
192 H1* T 5 H1' T 5 -4.914 -4.314 -4.986
193 H3 T 5 H3 T 5 -1.671 -1.304 -4.437
194 1H5M T 5 1H5M T 5 -5.272 0.902 -1.976
195 2H5M T 5 2H5M T 5 -4.930 2.063 -3.280
196 3H5M T 5 3H5M T 5 -6.439 1.145 -3.306
197 H6 T 5 H6 T 5 -6.442 -0.951 -4.377
198 1H5* T 6 1H5' T 6 -4.460 -6.784 -4.396
199 2H5* T 6 2H5' T 6 -4.884 -8.188 -3.407
200 H4* T 6 H4' T 6 -2.512 -7.701 -3.303
201 H3* T 6 H3' T 6 -4.223 -8.011 -1.004
202 1H2* T 6 2H2' T 6 -3.792 -5.994 -0.031
203 2H2* T 6 1H2' T 6 -2.202 -6.634 0.404
204 H1* T 6 H1' T 6 -1.107 -5.700 -1.438
205 H3 T 6 H3 T 6 -1.010 -1.152 -0.822
206 1H5M T 6 1H5M T 6 -6.142 -2.636 -0.234
207 2H5M T 6 2H5M T 6 -5.687 -0.931 -0.309
208 3H5M T 6 3H5M T 6 -6.022 -1.824 -1.801
209 H6 T 6 H6 T 6 -4.611 -4.312 -1.280
210 1H5* A 7 1H5' A 7 0.279 -8.206 -0.422
211 2H5* A 7 2H5' A 7 0.736 -9.627 0.534
212 H4* A 7 H4' A 7 2.141 -7.735 1.081
213 H3* A 7 H3' A 7 0.581 -9.137 3.104
214 H1* A 7 H1' A 7 1.788 -5.530 2.916
215 H8 A 7 H8 A 7 -2.136 -5.673 3.209
216 1H6 A 7 1H6 A 7 -1.785 0.422 1.879
217 2H6 A 7 2H6 A 7 -2.888 -0.854 2.370
218 H2 A 7 H2 A 7 2.310 -1.187 2.105
219 2H2* A 7 1H2' A 7 0.841 -6.881 4.689
220 1H2* A 7 2H2' A 7 -0.594 -7.261 3.715
221 1H5* A 8 1H5' A 8 4.766 -7.010 3.534
222 2H5* A 8 2H5' A 8 5.691 -7.961 4.705
223 H4* A 8 H4' A 8 6.487 -5.690 4.570
224 H3* A 8 H3' A 8 5.976 -7.002 6.984
225 H1* A 8 H1' A 8 5.046 -3.314 6.344
226 H8 A 8 H8 A 8 1.926 -5.709 6.387
227 1H6 A 8 1H6 A 8 -1.278 -0.476 5.235
228 2H6 A 8 2H6 A 8 -1.422 -2.196 5.575
229 H2 A 8 H2 A 8 3.034 0.538 5.429
230 2H2* A 8 1H2' A 8 5.002 -4.780 8.232
231 1H2* A 8 2H2' A 8 3.953 -5.946 7.411
232 1H5* A 9 1H5' A 9 8.330 -2.740 6.864
233 2H5* A 9 2H5' A 9 9.627 -2.954 8.049
234 H4* A 9 H4' A 9 9.008 -0.622 7.818
235 H3* A 9 H3' A 9 9.427 -1.814 10.264
236 H1* A 9 H1' A 9 6.419 0.473 9.659
237 H8 A 9 H8 A 9 5.315 -3.270 9.909
238 1H6 A 9 1H6 A 9 -0.334 -1.123 8.535
239 2H6 A 9 2H6 A 9 0.634 -2.547 8.903
240 H2 A 9 H2 A 9 2.517 2.300 8.334
241 2H2* A 9 1H2' A 9 7.269 -0.797 11.517
242 1H2* A 9 2H2' A 9 7.162 -2.326 10.644
243 1H5* T 10 1H5' T 10 8.124 2.733 10.125
244 2H5* T 10 2H5' T 10 8.949 3.655 11.391
245 H4* T 10 H4' T 10 6.687 4.482 10.857
246 H3* T 10 H3' T 10 7.611 3.985 13.549
247 1H2* T 10 2H2' T 10 6.036 2.409 14.012
248 2H2* T 10 1H2' T 10 4.963 3.782 14.279
249 H1* T 10 H1' T 10 4.140 3.773 12.037
250 H3 T 10 H3 T 10 1.086 0.405 11.550
251 1H5M T 10 1H5M T 10 5.634 -1.957 13.218
252 2H5M T 10 2H5M T 10 4.456 -1.969 14.550
253 3H5M T 10 3H5M T 10 4.122 -2.855 13.052
254 H6 T 10 H6 T 10 5.548 0.493 13.317
255 1H5* C 11 1H5' C 11 4.213 6.977 12.200
256 2H5* C 11 2H5' C 11 4.236 8.401 13.254
257 H4* C 11 H4' C 11 2.016 7.946 12.315
258 H3* C 11 H3' C 11 2.529 8.440 15.067
259 H1* C 11 H1' C 11 -0.069 5.906 13.633
260 1H4 C 11 1H4 C 11 2.821 0.166 15.586
261 2H4 C 11 2H4 C 11 1.171 -0.117 15.003
262 H5 C 11 H5 C 11 3.688 2.459 15.692
263 H6 C 11 H6 C 11 3.158 4.775 15.205
264 2H2* C 11 1H2' C 11 0.220 7.001 15.683
265 1H2* C 11 2H2' C 11 1.873 6.419 15.897
266 1H5* C 12 1H5' C 12 -1.473 8.680 16.105
267 2H5* C 12 2H5' C 12 -1.758 10.285 16.799
268 H4* C 12 H4' C 12 -2.062 8.510 18.474
269 H3* C 12 H3' C 12 -0.543 10.820 18.966
270 H1* C 12 H1' C 12 0.295 7.400 20.152
271 1H4 C 12 1H4 C 12 5.403 4.767 16.767
272 2H4 C 12 2H4 C 12 4.483 3.491 17.663
273 H5 C 12 H5 C 12 4.768 7.110 17.032
274 H6 C 12 H6 C 12 3.019 8.561 17.823
275 2H2* C 12 1H2' C 12 1.359 9.528 20.408
276 1H2* C 12 2H2' C 12 1.519 9.757 18.642
Start of MODEL 4
1 1H5* C 1 1H5' C 1 -4.658 -2.139 -22.410
2 2H5* C 1 2H5' C 1 -5.525 -3.679 -22.231
3 H4* C 1 H4' C 1 -3.234 -4.028 -21.651
4 H3* C 1 H3' C 1 -5.281 -4.588 -19.734
5 H1* C 1 H1' C 1 -1.717 -3.315 -19.080
6 1H4 C 1 1H4 C 1 -2.217 2.366 -15.610
7 2H4 C 1 2H4 C 1 -1.017 2.697 -16.839
8 H5 C 1 H5 C 1 -4.144 1.484 -17.788
9 H6 C 1 H6 C 1 -4.484 -0.713 -18.818
10 2H2* C 1 1H2' C 1 -3.459 -4.190 -17.692
11 1H2* C 1 2H2' C 1 -4.617 -2.932 -18.225
12 H3 C 1 H3 C 1 -0.302 0.363 -16.660
13 1H5* C 2 1H5' C 2 -0.941 -5.952 -19.158
14 2H5* C 2 2H5' C 2 -0.974 -7.654 -18.657
15 H4* C 2 H4' C 2 0.949 -6.464 -17.745
16 H3* C 2 H3' C 2 -0.898 -7.945 -16.086
17 H1* C 2 H1' C 2 1.103 -4.710 -15.226
18 1H4 C 2 1H4 C 2 -3.531 -0.478 -12.962
19 2H4 C 2 2H4 C 2 -2.705 0.454 -14.165
20 H5 C 2 H5 C 2 -4.023 -2.623 -15.084
21 H6 C 2 H6 C 2 -2.671 -4.564 -15.707
22 2H2* C 2 1H2' C 2 0.083 -6.409 -13.957
23 1H2* C 2 2H2' C 2 -1.511 -6.185 -14.728
24 H3 C 2 H3 C 2 -0.649 -0.744 -13.547
25 1H5* A 3 1H5' A 3 3.363 -6.898 -14.770
26 2H5* A 3 2H5' A 3 4.130 -8.264 -13.954
27 H4* A 3 H4' A 3 4.748 -5.851 -13.329
28 H3* A 3 H3' A 3 4.635 -8.156 -11.559
29 H1* A 3 H1' A 3 3.951 -4.432 -10.950
30 H8 A 3 H8 A 3 0.914 -6.648 -10.140
31 1H6 A 3 1H6 A 3 -2.150 -1.290 -11.134
32 2H6 A 3 2H6 A 3 -2.376 -3.022 -10.911
33 H2 A 3 H2 A 3 2.107 -0.387 -10.448
34 2H2* A 3 1H2' A 3 4.392 -6.277 -9.510
35 1H2* A 3 2H2' A 3 3.045 -7.218 -10.103
36 1H5* T 4 1H5' T 4 6.553 -4.145 -10.946
37 2H5* T 4 2H5' T 4 8.154 -4.197 -10.195
38 H4* T 4 H4' T 4 6.944 -2.158 -9.625
39 H3* T 4 H3' T 4 8.005 -3.994 -7.612
40 1H2* T 4 2H2' T 4 6.026 -4.201 -6.503
41 2H2* T 4 1H2' T 4 6.289 -2.592 -5.858
42 H1* T 4 H1' T 4 5.037 -1.501 -7.606
43 H3 T 4 H3 T 4 0.596 -2.212 -6.721
44 1H5M T 4 1H5M T 4 2.800 -7.122 -7.239
45 2H5M T 4 2H5M T 4 2.357 -6.847 -5.543
46 3H5M T 4 3H5M T 4 1.103 -6.904 -6.793
47 H6 T 4 H6 T 4 4.284 -5.265 -7.094
48 1H5* A 5 1H5' A 5 7.446 0.512 -7.092
49 2H5* A 5 2H5' A 5 8.736 1.224 -6.110
50 H4* A 5 H4' A 5 6.579 2.358 -5.851
51 H3* A 5 H3' A 5 8.174 1.377 -3.619
52 H1* A 5 H1' A 5 4.390 1.797 -3.987
53 H8 A 5 H8 A 5 5.422 -2.002 -3.615
54 1H6 A 5 1H6 A 5 -0.769 -2.914 -4.193
55 2H6 A 5 2H6 A 5 0.711 -3.742 -3.755
56 H2 A 5 H2 A 5 0.043 1.401 -4.220
57 2H2* A 5 1H2' A 5 5.850 1.446 -2.107
58 1H2* A 5 2H2' A 5 6.534 -0.023 -2.831
59 1H5* A 6 1H5' A 6 5.491 5.189 -3.984
60 2H5* A 6 2H5' A 6 6.120 6.467 -2.935
61 H4* A 6 H4' A 6 3.731 6.658 -3.510
62 H3* A 6 H3' A 6 4.797 7.250 -1.024
63 H1* A 6 H1' A 6 1.570 5.146 -1.424
64 H8 A 6 H8 A 6 4.749 2.975 -0.562
65 1H6 A 6 1H6 A 6 0.737 -1.772 -0.845
66 2H6 A 6 2H6 A 6 2.413 -1.312 -0.570
67 H2 A 6 H2 A 6 -1.526 1.996 -1.508
68 2H2* A 6 1H2' A 6 2.762 6.112 0.349
69 1H2* A 6 2H2' A 6 4.217 5.201 0.056
70 1H5* T 7 1H5' T 7 0.246 7.486 -1.753
71 2H5* T 7 2H5' T 7 -0.508 8.920 -1.040
72 H4* T 7 H4' T 7 -1.941 6.896 -1.083
73 H3* T 7 H3' T 7 -1.605 8.601 1.216
74 1H2* T 7 2H2' T 7 -0.746 6.949 2.607
75 2H2* T 7 1H2' T 7 -2.379 6.403 2.755
76 H1* T 7 H1' T 7 -2.309 4.875 0.963
77 H3 T 7 H3 T 7 -0.048 1.161 2.278
78 1H5M T 7 1H5M T 7 3.926 3.810 2.735
79 2H5M T 7 2H5M T 7 3.280 5.439 2.957
80 3H5M T 7 3H5M T 7 3.205 4.262 4.286
81 H6 T 7 H6 T 7 0.979 5.822 2.512
82 1H5* T 8 1H5' T 8 -4.842 5.388 1.126
83 2H5* T 8 2H5' T 8 -6.396 5.937 1.779
84 H4* T 8 H4' T 8 -5.946 3.671 2.496
85 H3* T 8 H3' T 8 -6.388 5.809 4.409
86 1H2* T 8 2H2' T 8 -4.340 5.528 5.394
87 2H2* T 8 1H2' T 8 -5.135 4.215 6.287
88 H1* T 8 H1' T 8 -4.529 2.578 4.612
89 H3 T 8 H3 T 8 -0.223 1.153 5.103
90 1H5M T 8 1H5M T 8 1.328 5.617 5.339
91 2H5M T 8 2H5M T 8 -0.141 6.585 5.459
92 3H5M T 8 3H5M T 8 0.498 5.759 6.895
93 H6 T 8 H6 T 8 -2.183 5.536 5.197
94 1H5* T 9 1H5' T 9 -7.397 1.191 5.465
95 2H5* T 9 2H5' T 9 -8.740 1.233 6.619
96 H4* T 9 H4' T 9 -7.219 -0.659 7.060
97 H3* T 9 H3' T 9 -7.698 1.481 9.084
98 1H2* T 9 2H2' T 9 -5.632 1.390 10.011
99 2H2* T 9 1H2' T 9 -5.769 -0.398 10.260
100 H1* T 9 H1' T 9 -4.627 -0.837 8.309
101 H3 T 9 H3 T 9 -0.380 0.846 8.372
102 1H5M T 9 1H5M T 9 -1.808 5.291 8.206
103 2H5M T 9 2H5M T 9 -3.498 5.146 7.713
104 3H5M T 9 3H5M T 9 -3.072 5.104 9.430
105 H6 T 9 H6 T 9 -4.661 3.040 8.156
106 1H5* A 10 1H5' A 10 -7.541 -3.020 10.753
107 2H5* A 10 2H5' A 10 -8.732 -3.179 12.055
108 H4* A 10 H4' A 10 -6.500 -4.257 12.470
109 H3* A 10 H3' A 10 -7.996 -2.827 14.398
110 H1* A 10 H1' A 10 -4.208 -2.761 13.984
111 H8 A 10 H8 A 10 -5.514 0.794 13.892
112 1H6 A 10 1H6 A 10 0.002 2.122 11.206
113 2H6 A 10 2H6 A 10 -1.253 2.828 12.214
114 H2 A 10 H2 A 10 -0.590 -2.225 11.149
115 2H2* A 10 1H2' A 10 -5.755 -1.818 15.586
116 1H2* A 10 2H2' A 10 -6.658 -0.967 14.306
117 1H5* C 11 1H5' C 11 -4.435 -5.814 15.567
118 2H5* C 11 2H5' C 11 -4.488 -6.296 17.270
119 H4* C 11 H4' C 11 -2.215 -6.006 16.202
120 H3* C 11 H3' C 11 -2.823 -5.305 18.865
121 H1* C 11 H1' C 11 -0.602 -3.372 16.491
122 1H4 C 11 1H4 C 11 -3.324 2.302 14.544
123 2H4 C 11 2H4 C 11 -1.878 2.805 15.289
124 H5 C 11 H5 C 11 -4.386 0.657 16.725
125 H6 C 11 H6 C 11 -3.980 -1.703 17.210
126 2H2* C 11 1H2' C 11 -1.173 -3.115 18.812
127 1H2* C 11 2H2' C 11 -2.923 -3.004 18.446
128 H3 C 11 H3 C 11 -0.693 0.910 14.851
129 1H5* C 12 1H5' C 12 1.507 -4.539 17.153
130 2H5* C 12 2H5' C 12 2.467 -5.504 18.289
131 H4* C 12 H4' C 12 3.899 -3.809 17.512
132 H3* C 12 H3' C 12 3.218 -3.857 20.312
133 H1* C 12 H1' C 12 4.081 -0.867 18.093
134 1H4 C 12 1H4 C 12 -1.334 3.123 17.764
135 2H4 C 12 2H4 C 12 -0.254 3.966 18.921
136 H5 C 12 H5 C 12 -1.230 0.546 18.490
137 H6 C 12 H6 C 12 0.366 -1.310 18.465
138 2H2* C 12 1H2' C 12 3.883 -1.178 20.473
139 1H2* C 12 2H2' C 12 2.182 -1.761 20.306
140 H3 C 12 H3 C 12 1.936 3.253 18.414
141 1H5* C 1 1H5' C 1 6.618 4.135 -19.355
142 2H5* C 1 2H5' C 1 7.166 5.578 -18.483
143 H4* C 1 H4' C 1 4.809 5.760 -18.932
144 H3* C 1 H3' C 1 5.846 6.076 -16.338
145 H1* C 1 H1' C 1 2.566 4.468 -17.223
146 1H4 C 1 1H4 C 1 2.960 -2.154 -16.262
147 2H4 C 1 2H4 C 1 1.316 -1.606 -16.654
148 H5 C 1 H5 C 1 4.786 -0.457 -16.192
149 H6 C 1 H6 C 1 5.249 1.909 -16.515
150 2H2* C 1 1H2' C 1 3.690 4.927 -15.134
151 1H2* C 1 2H2' C 1 5.102 3.960 -15.595
152 1H5* C 2 1H5' C 2 1.282 6.812 -17.056
153 2H5* C 2 2H5' C 2 0.728 8.236 -16.160
154 H4* C 2 H4' C 2 -0.942 6.431 -16.322
155 H3* C 2 H3' C 2 -0.274 7.779 -13.859
156 H1* C 2 H1' C 2 -1.491 4.292 -14.523
157 1H4 C 2 1H4 C 2 3.273 -0.140 -13.129
158 2H4 C 2 2H4 C 2 1.708 -0.946 -13.352
159 H5 C 2 H5 C 2 3.436 2.283 -13.201
160 H6 C 2 H6 C 2 2.192 4.303 -13.662
161 2H2* C 2 1H2' C 2 -1.192 5.553 -12.498
162 1H2* C 2 2H2' C 2 0.518 5.856 -12.824
163 1H5* T 3 1H5' T 3 -4.003 5.206 -14.619
164 2H5* T 3 2H5' T 3 -5.461 6.057 -14.086
165 H4* T 3 H4' T 3 -5.631 3.593 -14.049
166 H3* T 3 H3' T 3 -6.577 5.309 -12.006
167 1H2* T 3 2H2' T 3 -4.911 4.755 -10.516
168 2H2* T 3 1H2' T 3 -6.029 3.468 -10.034
169 H1* T 3 H1' T 3 -5.087 1.895 -11.591
170 H3 T 3 H3 T 3 -1.113 0.123 -10.191
171 1H5M T 3 1H5M T 3 -0.987 4.914 -8.129
172 2H5M T 3 2H5M T 3 0.532 4.291 -8.796
173 3H5M T 3 3H5M T 3 -0.472 5.382 -9.764
174 H6 T 3 H6 T 3 -2.909 4.582 -10.051
175 1H5* A 4 1H5' A 4 -7.199 0.797 -12.117
176 2H5* A 4 2H5' A 4 -8.892 0.414 -11.781
177 H4* A 4 H4' A 4 -7.498 -1.400 -11.094
178 H3* A 4 H3' A 4 -9.230 -0.010 -9.180
179 H1* A 4 H1' A 4 -6.054 -2.071 -8.848
180 H8 A 4 H8 A 4 -5.555 1.434 -7.345
181 1H6 A 4 1H6 A 4 0.531 -0.348 -7.276
182 2H6 A 4 2H6 A 4 -0.444 1.075 -6.946
183 H2 A 4 H2 A 4 -1.924 -3.721 -8.154
184 2H2* A 4 1H2' A 4 -7.672 -1.221 -7.201
185 1H2* A 4 2H2' A 4 -7.452 0.438 -7.757
186 1H5* T 5 1H5' T 5 -7.530 -4.094 -8.638
187 2H5* T 5 2H5' T 5 -8.581 -5.262 -7.818
188 H4* T 5 H4' T 5 -6.370 -5.493 -6.958
189 H3* T 5 H3' T 5 -8.553 -4.751 -5.186
190 1H2* T 5 2H2' T 5 -7.547 -2.678 -4.964
191 2H2* T 5 1H2' T 5 -6.812 -3.386 -3.540
192 H1* T 5 H1' T 5 -4.965 -4.319 -4.983
193 H3 T 5 H3 T 5 -1.729 -1.297 -4.439
194 1H5M T 5 1H5M T 5 -5.353 0.929 -2.029
195 2H5M T 5 2H5M T 5 -5.003 2.076 -3.342
196 3H5M T 5 3H5M T 5 -6.511 1.154 -3.371
197 H6 T 5 H6 T 5 -6.501 -0.949 -4.430
198 1H5* T 6 1H5' T 6 -4.515 -6.786 -4.357
199 2H5* T 6 2H5' T 6 -4.963 -8.182 -3.367
200 H4* T 6 H4' T 6 -2.594 -7.711 -3.219
201 H3* T 6 H3' T 6 -4.350 -7.977 -0.945
202 1H2* T 6 2H2' T 6 -3.907 -5.959 0.018
203 2H2* T 6 1H2' T 6 -2.329 -6.610 0.475
204 H1* T 6 H1' T 6 -1.203 -5.699 -1.356
205 H3 T 6 H3 T 6 -1.091 -1.147 -0.770
206 1H5M T 6 1H5M T 6 -5.777 -0.885 -0.374
207 2H5M T 6 2H5M T 6 -6.097 -1.828 -1.841
208 3H5M T 6 3H5M T 6 -6.235 -2.586 -0.248
209 H6 T 6 H6 T 6 -4.700 -4.291 -1.275
210 1H5* A 7 1H5' A 7 0.133 -8.215 -0.315
211 2H5* A 7 2H5' A 7 0.576 -9.622 0.668
212 H4* A 7 H4' A 7 1.990 -7.724 1.179
213 H3* A 7 H3' A 7 0.427 -9.088 3.229
214 H1* A 7 H1' A 7 1.656 -5.492 2.975
215 H8 A 7 H8 A 7 -2.270 -5.611 3.264
216 1H6 A 7 1H6 A 7 -1.879 0.472 1.891
217 2H6 A 7 2H6 A 7 -2.993 -0.798 2.375
218 H2 A 7 H2 A 7 2.207 -1.150 2.184
219 2H2* A 7 1H2' A 7 0.711 -6.808 4.777
220 1H2* A 7 2H2' A 7 -0.732 -7.194 3.818
221 1H5* A 8 1H5' A 8 4.591 -6.953 3.553
222 2H5* A 8 2H5' A 8 5.548 -7.905 4.698
223 H4* A 8 H4' A 8 6.365 -5.649 4.530
224 H3* A 8 H3' A 8 5.905 -6.938 6.964
225 H1* A 8 H1' A 8 4.976 -3.243 6.331
226 H8 A 8 H8 A 8 1.858 -5.639 6.427
227 1H6 A 8 1H6 A 8 -1.365 -0.419 5.270
228 2H6 A 8 2H6 A 8 -1.500 -2.137 5.623
229 H2 A 8 H2 A 8 2.948 0.612 5.470
230 2H2* A 8 1H2' A 8 4.979 -4.699 8.222
231 1H2* A 8 2H2' A 8 3.901 -5.864 7.437
232 1H5* A 9 1H5' A 9 8.255 -2.678 6.781
233 2H5* A 9 2H5' A 9 9.590 -2.901 7.922
234 H4* A 9 H4' A 9 8.967 -0.566 7.732
235 H3* A 9 H3' A 9 9.464 -1.778 10.152
236 H1* A 9 H1' A 9 6.434 0.500 9.673
237 H8 A 9 H8 A 9 5.323 -3.235 9.948
238 1H6 A 9 1H6 A 9 -0.336 -1.086 8.602
239 2H6 A 9 2H6 A 9 0.629 -2.509 8.982
240 H2 A 9 H2 A 9 2.523 2.325 8.345
241 2H2* A 9 1H2' A 9 7.343 -0.801 11.484
242 1H2* A 9 2H2' A 9 7.212 -2.312 10.588
243 1H5* T 10 1H5' T 10 8.157 2.794 10.101
244 2H5* T 10 2H5' T 10 9.015 3.682 11.368
245 H4* T 10 H4' T 10 6.762 4.554 10.905
246 H3* T 10 H3' T 10 7.715 3.949 13.570
247 1H2* T 10 2H2' T 10 6.102 2.417 14.021
248 2H2* T 10 1H2' T 10 5.062 3.806 14.310
249 H1* T 10 H1' T 10 4.209 3.847 12.082
250 H3 T 10 H3 T 10 1.099 0.519 11.656
251 1H5M T 10 1H5M T 10 5.699 -1.892 13.158
252 2H5M T 10 2H5M T 10 4.502 -1.977 14.469
253 3H5M T 10 3H5M T 10 4.198 -2.794 12.926
254 H6 T 10 H6 T 10 5.625 0.538 13.243
255 1H5* C 11 1H5' C 11 4.426 7.044 12.314
256 2H5* C 11 2H5' C 11 4.457 8.452 13.388
257 H4* C 11 H4' C 11 2.240 8.025 12.407
258 H3* C 11 H3' C 11 2.721 8.533 15.153
259 H1* C 11 H1' C 11 0.133 5.994 13.733
260 1H4 C 11 1H4 C 11 3.026 0.266 15.662
261 2H4 C 11 2H4 C 11 1.394 -0.080 15.079
262 H5 C 11 H5 C 11 3.849 2.524 15.826
263 H6 C 11 H6 C 11 3.339 4.840 15.338
264 2H2* C 11 1H2' C 11 0.430 7.079 15.783
265 1H2* C 11 2H2' C 11 2.089 6.505 15.986
266 1H5* C 12 1H5' C 12 -1.269 8.746 16.199
267 2H5* C 12 2H5' C 12 -1.559 10.353 16.888
268 H4* C 12 H4' C 12 -1.832 8.595 18.582
269 H3* C 12 H3' C 12 -0.281 10.902 19.029
270 H1* C 12 H1' C 12 0.497 7.483 20.244
271 1H4 C 12 1H4 C 12 5.549 4.723 16.886
272 2H4 C 12 2H4 C 12 4.602 3.472 17.791
273 H5 C 12 H5 C 12 4.992 7.081 17.174
274 H6 C 12 H6 C 12 3.272 8.575 17.948
275 2H2* C 12 1H2' C 12 1.608 9.598 20.476
276 1H2* C 12 2H2' C 12 1.761 9.802 18.704
Start of MODEL 5
1 1H5* C 1 1H5' C 1 -4.470 -2.606 -22.278
2 2H5* C 1 2H5' C 1 -5.360 -4.124 -22.019
3 H4* C 1 H4' C 1 -3.057 -4.478 -21.472
4 H3* C 1 H3' C 1 -5.077 -4.952 -19.508
5 H1* C 1 H1' C 1 -1.492 -3.687 -18.943
6 1H4 C 1 1H4 C 1 -1.925 2.124 -15.679
7 2H4 C 1 2H4 C 1 -0.731 2.398 -16.929
8 H5 C 1 H5 C 1 -3.875 1.173 -17.807
9 H6 C 1 H6 C 1 -4.238 -1.058 -18.751
10 2H2* C 1 1H2' C 1 -3.218 -4.504 -17.508
11 1H2* C 1 2H2' C 1 -4.377 -3.255 -18.064
12 H3 C 1 H3 C 1 -0.032 0.066 -16.669
13 1H5* C 2 1H5' C 2 -0.751 -6.322 -18.914
14 2H5* C 2 2H5' C 2 -0.774 -7.998 -18.330
15 H4* C 2 H4' C 2 1.141 -6.739 -17.486
16 H3* C 2 H3' C 2 -0.669 -8.183 -15.754
17 H1* C 2 H1' C 2 1.299 -4.904 -15.050
18 1H4 C 2 1H4 C 2 -3.336 -0.568 -12.942
19 2H4 C 2 2H4 C 2 -2.440 0.324 -14.131
20 H5 C 2 H5 C 2 -3.810 -2.776 -14.951
21 H6 C 2 H6 C 2 -2.482 -4.757 -15.497
22 2H2* C 2 1H2' C 2 0.275 -6.542 -13.690
23 1H2* C 2 2H2' C 2 -1.314 -6.361 -14.486
24 H3 C 2 H3 C 2 -0.408 -0.877 -13.499
25 1H5* A 3 1H5' A 3 3.523 -6.911 -14.529
26 2H5* A 3 2H5' A 3 4.373 -8.207 -13.680
27 H4* A 3 H4' A 3 4.890 -5.760 -13.140
28 H3* A 3 H3' A 3 4.880 -8.001 -11.295
29 H1* A 3 H1' A 3 4.073 -4.301 -10.813
30 H8 A 3 H8 A 3 1.091 -6.531 -9.851
31 1H6 A 3 1H6 A 3 -2.074 -1.269 -11.053
32 2H6 A 3 2H6 A 3 -2.280 -2.998 -10.781
33 H2 A 3 H2 A 3 2.156 -0.269 -10.431
34 2H2* A 3 1H2' A 3 4.530 -6.108 -9.294
35 1H2* A 3 2H2' A 3 3.218 -7.090 -9.907
36 1H5* T 4 1H5' T 4 6.606 -3.881 -10.757
37 2H5* T 4 2H5' T 4 8.197 -3.855 -9.986
38 H4* T 4 H4' T 4 6.914 -1.861 -9.448
39 H3* T 4 H3' T 4 7.979 -3.652 -7.389
40 1H2* T 4 2H2' T 4 5.980 -3.890 -6.325
41 2H2* T 4 1H2' T 4 6.192 -2.268 -5.695
42 H1* T 4 H1' T 4 4.965 -1.228 -7.490
43 H3 T 4 H3 T 4 0.516 -2.003 -6.713
44 1H5M T 4 1H5M T 4 2.558 -6.666 -5.586
45 2H5M T 4 2H5M T 4 1.064 -6.666 -6.535
46 3H5M T 4 3H5M T 4 2.625 -6.852 -7.349
47 H6 T 4 H6 T 4 4.268 -4.995 -6.930
48 1H5* A 5 1H5' A 5 7.253 0.828 -6.995
49 2H5* A 5 2H5' A 5 8.499 1.616 -6.013
50 H4* A 5 H4' A 5 6.308 2.689 -5.829
51 H3* A 5 H3' A 5 7.884 1.821 -3.540
52 H1* A 5 H1' A 5 4.102 2.116 -3.986
53 H8 A 5 H8 A 5 5.208 -1.653 -3.522
54 1H6 A 5 1H6 A 5 -0.952 -2.694 -4.240
55 2H6 A 5 2H6 A 5 0.529 -3.492 -3.751
56 H2 A 5 H2 A 5 -0.226 1.629 -4.285
57 2H2* A 5 1H2' A 5 5.539 1.834 -2.071
58 1H2* A 5 2H2' A 5 6.274 0.374 -2.764
59 1H5* A 6 1H5' A 6 5.027 5.507 -4.025
60 2H5* A 6 2H5' A 6 5.648 6.832 -3.031
61 H4* A 6 H4' A 6 3.252 6.983 -3.554
62 H3* A 6 H3' A 6 4.343 7.640 -1.108
63 H1* A 6 H1' A 6 1.173 5.452 -1.372
64 H8 A 6 H8 A 6 4.401 3.333 -0.566
65 1H6 A 6 1H6 A 6 0.473 -1.488 -0.871
66 2H6 A 6 2H6 A 6 2.146 -1.004 -0.609
67 H2 A 6 H2 A 6 -1.856 2.247 -1.494
68 2H2* A 6 1H2' A 6 2.427 6.441 0.364
69 1H2* A 6 2H2' A 6 3.886 5.561 -0.019
70 1H5* T 7 1H5' T 7 -0.239 7.673 -1.673
71 2H5* T 7 2H5' T 7 -1.026 9.076 -0.934
72 H4* T 7 H4' T 7 -2.378 7.008 -0.899
73 H3* T 7 H3' T 7 -1.954 8.697 1.412
74 1H2* T 7 2H2' T 7 -1.019 7.025 2.728
75 2H2* T 7 1H2' T 7 -2.635 6.444 2.932
76 H1* T 7 H1' T 7 -2.612 4.975 1.081
77 H3 T 7 H3 T 7 -0.301 1.244 2.274
78 1H5M T 7 1H5M T 7 3.424 4.887 2.409
79 2H5M T 7 2H5M T 7 2.712 5.272 3.988
80 3H5M T 7 3H5M T 7 3.429 3.682 3.710
81 H6 T 7 H6 T 7 0.715 5.908 2.559
82 1H5* T 8 1H5' T 8 -5.163 5.451 1.430
83 2H5* T 8 2H5' T 8 -6.688 5.986 2.156
84 H4* T 8 H4' T 8 -6.202 3.720 2.841
85 H3* T 8 H3' T 8 -6.537 5.850 4.791
86 1H2* T 8 2H2' T 8 -4.456 5.544 5.686
87 2H2* T 8 1H2' T 8 -5.206 4.210 6.587
88 H1* T 8 H1' T 8 -4.679 2.610 4.862
89 H3 T 8 H3 T 8 -0.359 1.190 5.125
90 1H5M T 8 1H5M T 8 0.137 6.423 5.082
91 2H5M T 8 2H5M T 8 -0.138 6.182 6.819
92 3H5M T 8 3H5M T 8 1.285 5.480 6.046
93 H6 T 8 H6 T 8 -2.313 5.569 5.368
94 1H5* T 9 1H5' T 9 -7.527 1.235 5.858
95 2H5* T 9 2H5' T 9 -8.817 1.284 7.070
96 H4* T 9 H4' T 9 -7.316 -0.630 7.449
97 H3* T 9 H3' T 9 -7.575 1.554 9.494
98 1H2* T 9 2H2' T 9 -5.506 1.226 10.417
99 2H2* T 9 1H2' T 9 -5.732 -0.559 10.471
100 H1* T 9 H1' T 9 -4.631 -0.863 8.509
101 H3 T 9 H3 T 9 -0.401 0.850 8.342
102 1H5M T 9 1H5M T 9 -1.850 5.284 8.514
103 2H5M T 9 2H5M T 9 -3.525 5.144 7.968
104 3H5M T 9 3H5M T 9 -3.144 5.044 9.695
105 H6 T 9 H6 T 9 -4.706 3.009 8.514
106 1H5* A 10 1H5' A 10 -7.537 -2.885 11.110
107 2H5* A 10 2H5' A 10 -8.687 -3.062 12.448
108 H4* A 10 H4' A 10 -6.441 -4.142 12.784
109 H3* A 10 H3' A 10 -7.859 -2.643 14.758
110 H1* A 10 H1' A 10 -4.085 -2.807 14.182
111 H8 A 10 H8 A 10 -5.163 0.820 14.343
112 1H6 A 10 1H6 A 10 0.049 2.053 11.130
113 2H6 A 10 2H6 A 10 -1.119 2.745 12.261
114 H2 A 10 H2 A 10 -0.645 -2.291 11.044
115 2H2* A 10 1H2' A 10 -5.501 -1.847 15.901
116 1H2* A 10 2H2' A 10 -6.405 -0.886 14.704
117 1H5* C 11 1H5' C 11 -4.486 -5.789 15.745
118 2H5* C 11 2H5' C 11 -4.399 -6.311 17.434
119 H4* C 11 H4' C 11 -2.227 -5.946 16.143
120 H3* C 11 H3' C 11 -2.598 -5.428 18.893
121 H1* C 11 H1' C 11 -0.618 -3.323 16.456
122 1H4 C 11 1H4 C 11 -3.542 2.786 16.350
123 2H4 C 11 2H4 C 11 -2.148 2.803 15.304
124 H5 C 11 H5 C 11 -4.198 0.748 17.504
125 H6 C 11 H6 C 11 -3.867 -1.662 17.680
126 2H2* C 11 1H2' C 11 -0.955 -3.234 18.830
127 1H2* C 11 2H2' C 11 -2.734 -3.110 18.649
128 H3 C 11 H3 C 11 -0.798 1.026 15.134
129 1H5* C 12 1H5' C 12 1.629 -4.680 16.824
130 2H5* C 12 2H5' C 12 2.618 -5.745 17.839
131 H4* C 12 H4' C 12 4.080 -4.101 17.013
132 H3* C 12 H3' C 12 3.653 -4.269 19.841
133 H1* C 12 H1' C 12 4.391 -1.121 17.767
134 1H4 C 12 1H4 C 12 -1.072 2.742 17.843
135 2H4 C 12 2H4 C 12 0.003 3.578 19.002
136 H5 C 12 H5 C 12 -0.897 0.144 18.677
137 H6 C 12 H6 C 12 0.736 -1.670 18.498
138 2H2* C 12 1H2' C 12 4.381 -1.620 20.114
139 1H2* C 12 2H2' C 12 2.661 -2.164 20.051
140 H3 C 12 H3 C 12 2.173 2.934 18.305
141 1H5* C 1 1H5' C 1 6.822 3.667 -19.729
142 2H5* C 1 2H5' C 1 7.398 5.152 -18.950
143 H4* C 1 H4' C 1 5.026 5.308 -19.298
144 H3* C 1 H3' C 1 6.172 5.720 -16.759
145 H1* C 1 H1' C 1 2.860 4.100 -17.464
146 1H4 C 1 1H4 C 1 3.222 -2.475 -16.212
147 2H4 C 1 2H4 C 1 1.572 -1.930 -16.585
148 H5 C 1 H5 C 1 5.063 -0.796 -16.275
149 H6 C 1 H6 C 1 5.539 1.545 -16.727
150 2H2* C 1 1H2' C 1 4.064 4.627 -15.430
151 1H2* C 1 2H2' C 1 5.453 3.638 -15.910
152 1H5* C 2 1H5' C 2 1.586 6.514 -17.374
153 2H5* C 2 2H5' C 2 1.079 7.964 -16.492
154 H4* C 2 H4' C 2 -0.621 6.181 -16.592
155 H3* C 2 H3' C 2 0.093 7.579 -14.176
156 H1* C 2 H1' C 2 -1.165 4.087 -14.716
157 1H4 C 2 1H4 C 2 3.574 -0.326 -13.149
158 2H4 C 2 2H4 C 2 1.996 -1.121 -13.302
159 H5 C 2 H5 C 2 3.771 2.082 -13.419
160 H6 C 2 H6 C 2 2.536 4.089 -13.969
161 2H2* C 2 1H2' C 2 -0.802 5.402 -12.734
162 1H2* C 2 2H2' C 2 0.900 5.678 -13.115
163 1H5* T 3 1H5' T 3 -3.689 5.050 -14.909
164 2H5* T 3 2H5' T 3 -5.112 5.987 -14.429
165 H4* T 3 H4' T 3 -5.416 3.532 -14.401
166 H3* T 3 H3' T 3 -6.411 5.299 -12.462
167 1H2* T 3 2H2' T 3 -4.815 4.802 -10.878
168 2H2* T 3 1H2' T 3 -5.970 3.559 -10.380
169 H1* T 3 H1' T 3 -4.988 1.882 -11.770
170 H3 T 3 H3 T 3 -1.065 0.208 -10.137
171 1H5M T 3 1H5M T 3 -0.862 5.082 -8.417
172 2H5M T 3 2H5M T 3 0.623 4.495 -9.187
173 3H5M T 3 3H5M T 3 -0.488 5.532 -10.092
174 H6 T 3 H6 T 3 -2.812 4.678 -10.441
175 1H5* A 4 1H5' A 4 -7.093 0.796 -12.360
176 2H5* A 4 2H5' A 4 -8.803 0.451 -12.072
177 H4* A 4 H4' A 4 -7.455 -1.339 -11.239
178 H3* A 4 H3' A 4 -9.249 0.162 -9.466
179 H1* A 4 H1' A 4 -6.119 -1.926 -8.923
180 H8 A 4 H8 A 4 -5.653 1.610 -7.484
181 1H6 A 4 1H6 A 4 0.432 -0.158 -7.262
182 2H6 A 4 2H6 A 4 -0.553 1.274 -7.017
183 H2 A 4 H2 A 4 -2.019 -3.573 -8.048
184 2H2* A 4 1H2' A 4 -7.795 -1.002 -7.379
185 1H2* A 4 2H2' A 4 -7.534 0.634 -7.981
186 1H5* T 5 1H5' T 5 -7.652 -3.933 -8.755
187 2H5* T 5 2H5' T 5 -8.741 -5.062 -7.934
188 H4* T 5 H4' T 5 -6.544 -5.306 -7.031
189 H3* T 5 H3' T 5 -8.760 -4.523 -5.320
190 1H2* T 5 2H2' T 5 -7.746 -2.461 -5.098
191 2H2* T 5 1H2' T 5 -7.043 -3.151 -3.650
192 H1* T 5 H1' T 5 -5.170 -4.111 -5.041
193 H3 T 5 H3 T 5 -1.951 -1.106 -4.357
194 1H5M T 5 1H5M T 5 -5.660 1.162 -2.155
195 2H5M T 5 2H5M T 5 -5.260 2.296 -3.464
196 3H5M T 5 3H5M T 5 -6.766 1.374 -3.542
197 H6 T 5 H6 T 5 -6.713 -0.722 -4.607
198 1H5* T 6 1H5' T 6 -4.773 -6.592 -4.390
199 2H5* T 6 2H5' T 6 -5.244 -7.964 -3.376
200 H4* T 6 H4' T 6 -2.870 -7.510 -3.212
201 H3* T 6 H3' T 6 -4.661 -7.682 -0.942
202 1H2* T 6 2H2' T 6 -4.140 -5.682 0.013
203 2H2* T 6 1H2' T 6 -2.563 -6.359 0.430
204 H1* T 6 H1' T 6 -1.463 -5.459 -1.413
205 H3 T 6 H3 T 6 -1.365 -0.902 -0.824
206 1H5M T 6 1H5M T 6 -6.057 -0.678 -0.418
207 2H5M T 6 2H5M T 6 -6.338 -1.544 -1.939
208 3H5M T 6 3H5M T 6 -6.523 -2.381 -0.392
209 H6 T 6 H6 T 6 -4.958 -4.057 -1.362
210 1H5* A 7 1H5' A 7 -0.187 -8.094 -0.368
211 2H5* A 7 2H5' A 7 0.215 -9.514 0.614
212 H4* A 7 H4' A 7 1.730 -7.663 1.052
213 H3* A 7 H3' A 7 0.229 -9.000 3.147
214 H1* A 7 H1' A 7 1.475 -5.397 2.911
215 H8 A 7 H8 A 7 -2.442 -5.542 3.278
216 1H6 A 7 1H6 A 7 -2.135 0.544 1.902
217 2H6 A 7 2H6 A 7 -3.226 -0.737 2.410
218 H2 A 7 H2 A 7 1.970 -1.045 2.080
219 2H2* A 7 1H2' A 7 0.577 -6.741 4.707
220 1H2* A 7 2H2' A 7 -0.894 -7.106 3.786
221 1H5* A 8 1H5' A 8 4.416 -6.908 3.355
222 2H5* A 8 2H5' A 8 5.404 -7.866 4.467
223 H4* A 8 H4' A 8 6.218 -5.609 4.279
224 H3* A 8 H3' A 8 5.830 -6.910 6.723
225 H1* A 8 H1' A 8 4.894 -3.203 6.129
226 H8 A 8 H8 A 8 1.785 -5.602 6.342
227 1H6 A 8 1H6 A 8 -1.485 -0.391 5.282
228 2H6 A 8 2H6 A 8 -1.607 -2.109 5.641
229 H2 A 8 H2 A 8 2.829 0.648 5.328
230 2H2* A 8 1H2' A 8 4.977 -4.658 8.016
231 1H2* A 8 2H2' A 8 3.860 -5.820 7.282
232 1H5* A 9 1H5' A 9 8.173 -2.667 6.472
233 2H5* A 9 2H5' A 9 9.554 -2.888 7.558
234 H4* A 9 H4' A 9 8.906 -0.554 7.407
235 H3* A 9 H3' A 9 9.511 -1.780 9.795
236 H1* A 9 H1' A 9 6.462 0.491 9.452
237 H8 A 9 H8 A 9 5.342 -3.233 9.815
238 1H6 A 9 1H6 A 9 -0.343 -1.090 8.585
239 2H6 A 9 2H6 A 9 0.637 -2.515 8.923
240 H2 A 9 H2 A 9 2.505 2.328 8.272
241 2H2* A 9 1H2' A 9 7.445 -0.828 11.220
242 1H2* A 9 2H2' A 9 7.278 -2.330 10.314
243 1H5* T 10 1H5' T 10 8.125 2.749 9.843
244 2H5* T 10 2H5' T 10 9.014 3.653 11.079
245 H4* T 10 H4' T 10 6.725 4.469 10.724
246 H3* T 10 H3' T 10 7.794 3.858 13.343
247 1H2* T 10 2H2' T 10 6.239 2.259 13.810
248 2H2* T 10 1H2' T 10 5.187 3.621 14.197
249 H1* T 10 H1' T 10 4.256 3.720 11.991
250 H3 T 10 H3 T 10 1.137 0.399 11.567
251 1H5M T 10 1H5M T 10 4.759 -2.154 14.166
252 2H5M T 10 2H5M T 10 4.220 -2.948 12.679
253 3H5M T 10 3H5M T 10 5.757 -2.079 12.699
254 H6 T 10 H6 T 10 5.704 0.381 13.036
255 1H5* C 11 1H5' C 11 4.359 6.903 12.265
256 2H5* C 11 2H5' C 11 4.433 8.290 13.366
257 H4* C 11 H4' C 11 2.176 7.879 12.499
258 H3* C 11 H3' C 11 2.795 8.283 15.240
259 H1* C 11 H1' C 11 0.132 5.803 13.837
260 1H4 C 11 1H4 C 11 3.059 -0.017 15.465
261 2H4 C 11 2H4 C 11 1.380 -0.271 14.958
262 H5 C 11 H5 C 11 3.952 2.261 15.598
263 H6 C 11 H6 C 11 3.423 4.597 15.209
264 2H2* C 11 1H2' C 11 0.522 6.818 15.913
265 1H2* C 11 2H2' C 11 2.183 6.227 16.022
266 1H5* C 12 1H5' C 12 -1.157 8.494 16.438
267 2H5* C 12 2H5' C 12 -1.415 10.076 17.194
268 H4* C 12 H4' C 12 -1.650 8.251 18.826
269 H3* C 12 H3' C 12 -0.100 10.541 19.324
270 H1* C 12 H1' C 12 0.764 7.083 20.369
271 1H4 C 12 1H4 C 12 5.709 4.527 16.696
272 2H4 C 12 2H4 C 12 4.805 3.229 17.577
273 H5 C 12 H5 C 12 5.116 6.865 17.080
274 H6 C 12 H6 C 12 3.417 8.303 17.993
275 2H2* C 12 1H2' C 12 1.853 9.198 20.645
276 1H2* C 12 2H2' C 12 1.940 9.479 18.882
Start of MODEL 6
1 1H5* C 1 1H5' C 1 -4.947 -2.671 -22.234
2 2H5* C 1 2H5' C 1 -5.775 -4.218 -21.954
3 H4* C 1 H4' C 1 -3.453 -4.503 -21.467
4 H3* C 1 H3' C 1 -5.399 -5.022 -19.439
5 H1* C 1 H1' C 1 -1.837 -3.676 -19.007
6 1H4 C 1 1H4 C 1 -2.228 2.136 -15.734
7 2H4 C 1 2H4 C 1 -1.058 2.405 -17.007
8 H5 C 1 H5 C 1 -4.225 1.161 -17.796
9 H6 C 1 H6 C 1 -4.602 -1.076 -18.721
10 2H2* C 1 1H2' C 1 -3.500 -4.508 -17.497
11 1H2* C 1 2H2' C 1 -4.698 -3.288 -18.033
12 H3 C 1 H3 C 1 -0.342 0.082 -16.770
13 1H5* C 2 1H5' C 2 -1.004 -6.258 -18.949
14 2H5* C 2 2H5' C 2 -0.992 -7.946 -18.400
15 H4* C 2 H4' C 2 0.929 -6.713 -17.561
16 H3* C 2 H3' C 2 -0.876 -8.148 -15.817
17 H1* C 2 H1' C 2 1.113 -4.875 -15.108
18 1H4 C 2 1H4 C 2 -3.498 -0.558 -12.947
19 2H4 C 2 2H4 C 2 -2.671 0.328 -14.186
20 H5 C 2 H5 C 2 -4.011 -2.785 -14.959
21 H6 C 2 H6 C 2 -2.670 -4.753 -15.520
22 2H2* C 2 1H2' C 2 0.118 -6.528 -13.760
23 1H2* C 2 2H2' C 2 -1.488 -6.340 -14.519
24 H3 C 2 H3 C 2 -0.610 -0.847 -13.558
25 1H5* A 3 1H5' A 3 3.396 -7.023 -14.585
26 2H5* A 3 2H5' A 3 4.179 -8.349 -13.720
27 H4* A 3 H4' A 3 4.775 -5.909 -13.188
28 H3* A 3 H3' A 3 4.693 -8.147 -11.334
29 H1* A 3 H1' A 3 3.984 -4.416 -10.862
30 H8 A 3 H8 A 3 0.956 -6.599 -9.938
31 1H6 A 3 1H6 A 3 -2.121 -1.285 -11.119
32 2H6 A 3 2H6 A 3 -2.348 -3.007 -10.831
33 H2 A 3 H2 A 3 2.140 -0.357 -10.527
34 2H2* A 3 1H2' A 3 4.430 -6.205 -9.351
35 1H2* A 3 2H2' A 3 3.089 -7.171 -9.915
36 1H5* T 4 1H5' T 4 6.578 -4.090 -10.862
37 2H5* T 4 2H5' T 4 8.178 -4.108 -10.108
38 H4* T 4 H4' T 4 6.961 -2.058 -9.597
39 H3* T 4 H3' T 4 8.019 -3.834 -7.529
40 1H2* T 4 2H2' T 4 6.037 -4.010 -6.417
41 2H2* T 4 1H2' T 4 6.294 -2.380 -5.825
42 H1* T 4 H1' T 4 5.045 -1.349 -7.608
43 H3 T 4 H3 T 4 0.598 -2.045 -6.748
44 1H5M T 4 1H5M T 4 2.857 -6.962 -7.032
45 2H5M T 4 2H5M T 4 2.297 -6.624 -5.384
46 3H5M T 4 3H5M T 4 1.132 -6.741 -6.713
47 H6 T 4 H6 T 4 4.300 -5.096 -6.976
48 1H5* A 5 1H5' A 5 7.470 0.694 -7.116
49 2H5* A 5 2H5' A 5 8.752 1.424 -6.135
50 H4* A 5 H4' A 5 6.588 2.554 -5.910
51 H3* A 5 H3' A 5 8.176 1.626 -3.654
52 H1* A 5 H1' A 5 4.397 2.019 -4.041
53 H8 A 5 H8 A 5 5.421 -1.776 -3.589
54 1H6 A 5 1H6 A 5 -0.773 -2.678 -4.205
55 2H6 A 5 2H6 A 5 0.698 -3.504 -3.727
56 H2 A 5 H2 A 5 0.061 1.628 -4.328
57 2H2* A 5 1H2' A 5 5.850 1.688 -2.150
58 1H2* A 5 2H2' A 5 6.542 0.217 -2.861
59 1H5* A 6 1H5' A 6 5.438 5.400 -4.082
60 2H5* A 6 2H5' A 6 6.061 6.699 -3.057
61 H4* A 6 H4' A 6 3.671 6.870 -3.624
62 H3* A 6 H3' A 6 4.733 7.511 -1.155
63 H1* A 6 H1' A 6 1.531 5.379 -1.499
64 H8 A 6 H8 A 6 4.714 3.209 -0.652
65 1H6 A 6 1H6 A 6 0.700 -1.538 -0.883
66 2H6 A 6 2H6 A 6 2.379 -1.074 -0.637
67 H2 A 6 H2 A 6 -1.571 2.241 -1.527
68 2H2* A 6 1H2' A 6 2.753 6.355 0.264
69 1H2* A 6 2H2' A 6 4.203 5.447 -0.060
70 1H5* T 7 1H5' T 7 0.162 7.642 -1.849
71 2H5* T 7 2H5' T 7 -0.606 9.074 -1.149
72 H4* T 7 H4' T 7 -2.018 7.041 -1.150
73 H3* T 7 H3' T 7 -1.657 8.758 1.142
74 1H2* T 7 2H2' T 7 -0.782 7.102 2.523
75 2H2* T 7 1H2' T 7 -2.412 6.556 2.688
76 H1* T 7 H1' T 7 -2.359 5.032 0.885
77 H3 T 7 H3 T 7 -0.132 1.321 2.275
78 1H5M T 7 1H5M T 7 3.873 3.933 2.666
79 2H5M T 7 2H5M T 7 3.247 5.576 2.837
80 3H5M T 7 3H5M T 7 3.151 4.440 4.200
81 H6 T 7 H6 T 7 0.944 5.975 2.392
82 1H5* T 8 1H5' T 8 -4.894 5.539 1.103
83 2H5* T 8 2H5' T 8 -6.440 6.093 1.767
84 H4* T 8 H4' T 8 -5.992 3.827 2.483
85 H3* T 8 H3' T 8 -6.403 5.968 4.406
86 1H2* T 8 2H2' T 8 -4.351 5.662 5.377
87 2H2* T 8 1H2' T 8 -5.151 4.351 6.265
88 H1* T 8 H1' T 8 -4.565 2.718 4.575
89 H3 T 8 H3 T 8 -0.270 1.269 5.082
90 1H5M T 8 1H5M T 8 0.118 6.184 6.707
91 2H5M T 8 2H5M T 8 1.407 5.604 5.645
92 3H5M T 8 3H5M T 8 0.098 6.585 4.976
93 H6 T 8 H6 T 8 -2.197 5.667 5.117
94 1H5* T 9 1H5' T 9 -7.436 1.363 5.416
95 2H5* T 9 2H5' T 9 -8.773 1.384 6.577
96 H4* T 9 H4' T 9 -7.242 -0.516 6.963
97 H3* T 9 H3' T 9 -7.783 1.543 9.037
98 1H2* T 9 2H2' T 9 -5.699 1.550 9.917
99 2H2* T 9 1H2' T 9 -5.796 -0.235 10.226
100 H1* T 9 H1' T 9 -4.683 -0.713 8.251
101 H3 T 9 H3 T 9 -0.412 0.904 8.353
102 1H5M T 9 1H5M T 9 -3.090 5.199 9.380
103 2H5M T 9 2H5M T 9 -1.762 5.371 8.224
104 3H5M T 9 3H5M T 9 -3.427 5.252 7.643
105 H6 T 9 H6 T 9 -4.653 3.166 8.100
106 1H5* A 10 1H5' A 10 -7.462 -3.037 10.519
107 2H5* A 10 2H5' A 10 -8.653 -3.266 11.810
108 H4* A 10 H4' A 10 -6.448 -4.383 12.179
109 H3* A 10 H3' A 10 -7.921 -3.035 14.169
110 H1* A 10 H1' A 10 -4.139 -2.964 13.775
111 H8 A 10 H8 A 10 -5.444 0.596 13.718
112 1H6 A 10 1H6 A 10 0.151 1.992 11.264
113 2H6 A 10 2H6 A 10 -1.134 2.673 12.244
114 H2 A 10 H2 A 10 -0.359 -2.379 11.222
115 2H2* A 10 1H2' A 10 -5.691 -2.054 15.391
116 1H2* A 10 2H2' A 10 -6.583 -1.164 14.130
117 1H5* C 11 1H5' C 11 -4.293 -5.968 15.187
118 2H5* C 11 2H5' C 11 -4.369 -6.565 16.853
119 H4* C 11 H4' C 11 -2.081 -6.183 15.889
120 H3* C 11 H3' C 11 -2.801 -5.557 18.554
121 H1* C 11 H1' C 11 -0.482 -3.597 16.289
122 1H4 C 11 1H4 C 11 -3.175 2.128 14.438
123 2H4 C 11 2H4 C 11 -1.725 2.632 15.194
124 H5 C 11 H5 C 11 -4.270 0.434 16.493
125 H6 C 11 H6 C 11 -3.867 -1.933 16.947
126 2H2* C 11 1H2' C 11 -1.096 -3.404 18.612
127 1H2* C 11 2H2' C 11 -2.834 -3.245 18.212
128 H3 C 11 H3 C 11 -0.482 0.763 14.825
129 1H5* C 12 1H5' C 12 1.596 -4.805 17.044
130 2H5* C 12 2H5' C 12 2.504 -5.817 18.183
131 H4* C 12 H4' C 12 3.974 -4.097 17.521
132 H3* C 12 H3' C 12 3.193 -4.271 20.286
133 H1* C 12 H1' C 12 4.121 -1.170 18.251
134 1H4 C 12 1H4 C 12 -1.268 2.824 17.845
135 2H4 C 12 2H4 C 12 -0.296 3.578 19.145
136 H5 C 12 H5 C 12 -1.213 0.192 18.445
137 H6 C 12 H6 C 12 0.397 -1.652 18.405
138 2H2* C 12 1H2' C 12 3.831 -1.601 20.602
139 1H2* C 12 2H2' C 12 2.142 -2.183 20.337
140 H3 C 12 H3 C 12 1.930 2.913 18.718
141 1H5* C 1 1H5' C 1 6.445 3.650 -19.970
142 2H5* C 1 2H5' C 1 7.025 5.151 -19.227
143 H4* C 1 H4' C 1 4.645 5.286 -19.533
144 H3* C 1 H3' C 1 5.833 5.745 -17.020
145 H1* C 1 H1' C 1 2.519 4.102 -17.646
146 1H4 C 1 1H4 C 1 2.919 -2.457 -16.354
147 2H4 C 1 2H4 C 1 1.262 -1.913 -16.700
148 H5 C 1 H5 C 1 4.755 -0.774 -16.436
149 H6 C 1 H6 C 1 5.218 1.565 -16.921
150 2H2* C 1 1H2' C 1 3.753 4.662 -15.638
151 1H2* C 1 2H2' C 1 5.138 3.671 -16.128
152 1H5* C 2 1H5' C 2 1.235 6.477 -17.571
153 2H5* C 2 2H5' C 2 0.740 7.953 -16.728
154 H4* C 2 H4' C 2 -0.964 6.176 -16.737
155 H3* C 2 H3' C 2 -0.185 7.636 -14.376
156 H1* C 2 H1' C 2 -1.467 4.127 -14.793
157 1H4 C 2 1H4 C 2 3.330 -0.239 -13.279
158 2H4 C 2 2H4 C 2 1.755 -1.047 -13.385
159 H5 C 2 H5 C 2 3.505 2.167 -13.565
160 H6 C 2 H6 C 2 2.250 4.159 -14.121
161 2H2* C 2 1H2' C 2 -1.072 5.500 -12.861
162 1H2* C 2 2H2' C 2 0.626 5.760 -13.273
163 1H5* T 3 1H5' T 3 -3.974 5.099 -14.891
164 2H5* T 3 2H5' T 3 -5.403 5.992 -14.348
165 H4* T 3 H4' T 3 -5.585 3.525 -14.220
166 H3* T 3 H3' T 3 -6.477 5.333 -12.220
167 1H2* T 3 2H2' T 3 -4.837 4.774 -10.708
168 2H2* T 3 1H2' T 3 -5.963 3.500 -10.220
169 H1* T 3 H1' T 3 -5.020 1.899 -11.740
170 H3 T 3 H3 T 3 -1.073 0.167 -10.226
171 1H5M T 3 1H5M T 3 -0.839 5.070 -8.476
172 2H5M T 3 2H5M T 3 0.654 4.400 -9.154
173 3H5M T 3 3H5M T 3 -0.374 5.442 -10.149
174 H6 T 3 H6 T 3 -2.800 4.652 -10.382
175 1H5* A 4 1H5' A 4 -7.187 0.842 -12.202
176 2H5* A 4 2H5' A 4 -8.886 0.495 -11.852
177 H4* A 4 H4' A 4 -7.521 -1.318 -11.106
178 H3* A 4 H3' A 4 -9.223 0.168 -9.238
179 H1* A 4 H1' A 4 -6.074 -1.930 -8.837
180 H8 A 4 H8 A 4 -5.535 1.624 -7.471
181 1H6 A 4 1H6 A 4 0.534 -0.204 -7.328
182 2H6 A 4 2H6 A 4 -0.438 1.235 -7.054
183 H2 A 4 H2 A 4 -1.954 -3.598 -8.079
184 2H2* A 4 1H2' A 4 -7.677 -0.999 -7.222
185 1H2* A 4 2H2' A 4 -7.437 0.636 -7.837
186 1H5* T 5 1H5' T 5 -7.588 -3.904 -8.546
187 2H5* T 5 2H5' T 5 -8.650 -5.029 -7.683
188 H4* T 5 H4' T 5 -6.441 -5.256 -6.825
189 H3* T 5 H3' T 5 -8.606 -4.420 -5.066
190 1H2* T 5 2H2' T 5 -7.565 -2.361 -4.918
191 2H2* T 5 1H2' T 5 -6.831 -3.027 -3.476
192 H1* T 5 H1' T 5 -5.010 -4.039 -4.899
193 H3 T 5 H3 T 5 -1.728 -1.062 -4.444
194 1H5M T 5 1H5M T 5 -5.272 1.366 -2.140
195 2H5M T 5 2H5M T 5 -4.966 2.422 -3.539
196 3H5M T 5 3H5M T 5 -6.471 1.501 -3.457
197 H6 T 5 H6 T 5 -6.493 -0.626 -4.458
198 1H5* T 6 1H5' T 6 -4.624 -6.554 -4.294
199 2H5* T 6 2H5' T 6 -5.092 -7.921 -3.273
200 H4* T 6 H4' T 6 -2.702 -7.543 -3.226
201 H3* T 6 H3' T 6 -4.370 -7.739 -0.889
202 1H2* T 6 2H2' T 6 -3.834 -5.743 0.072
203 2H2* T 6 1H2' T 6 -2.248 -6.425 0.440
204 H1* T 6 H1' T 6 -1.189 -5.488 -1.395
205 H3 T 6 H3 T 6 -1.127 -0.924 -0.899
206 1H5M T 6 1H5M T 6 -5.912 -1.310 0.083
207 2H5M T 6 2H5M T 6 -5.911 -0.911 -1.640
208 3H5M T 6 3H5M T 6 -6.365 -2.534 -1.111
209 H6 T 6 H6 T 6 -4.697 -4.132 -1.267
210 1H5* A 7 1H5' A 7 0.088 -8.036 -0.380
211 2H5* A 7 2H5' A 7 0.562 -9.444 0.588
212 H4* A 7 H4' A 7 1.972 -7.536 1.077
213 H3* A 7 H3' A 7 0.464 -8.923 3.148
214 H1* A 7 H1' A 7 1.641 -5.311 2.900
215 H8 A 7 H8 A 7 -2.280 -5.470 3.243
216 1H6 A 7 1H6 A 7 -1.957 0.609 1.817
217 2H6 A 7 2H6 A 7 -3.064 -0.664 2.311
218 H2 A 7 H2 A 7 2.137 -0.969 2.093
219 2H2* A 7 1H2' A 7 0.732 -6.649 4.704
220 1H2* A 7 2H2' A 7 -0.716 -7.047 3.756
221 1H5* A 8 1H5' A 8 4.618 -6.702 3.464
222 2H5* A 8 2H5' A 8 5.584 -7.686 4.575
223 H4* A 8 H4' A 8 6.401 -5.431 4.495
224 H3* A 8 H3' A 8 5.915 -6.797 6.876
225 H1* A 8 H1' A 8 4.955 -3.082 6.363
226 H8 A 8 H8 A 8 1.866 -5.513 6.392
227 1H6 A 8 1H6 A 8 -1.396 -0.319 5.208
228 2H6 A 8 2H6 A 8 -1.522 -2.042 5.548
229 H2 A 8 H2 A 8 2.905 0.745 5.428
230 2H2* A 8 1H2' A 8 4.972 -4.602 8.196
231 1H2* A 8 2H2' A 8 3.904 -5.749 7.374
232 1H5* A 9 1H5' A 9 8.351 -2.524 7.010
233 2H5* A 9 2H5' A 9 9.600 -2.816 8.231
234 H4* A 9 H4' A 9 8.956 -0.474 8.139
235 H3* A 9 H3' A 9 9.308 -1.833 10.510
236 H1* A 9 H1' A 9 6.315 0.463 9.964
237 H8 A 9 H8 A 9 5.172 -3.269 10.044
238 1H6 A 9 1H6 A 9 -0.397 -1.049 8.480
239 2H6 A 9 2H6 A 9 0.545 -2.485 8.867
240 H2 A 9 H2 A 9 2.517 2.329 8.331
241 2H2* A 9 1H2' A 9 7.089 -0.979 11.759
242 1H2* A 9 2H2' A 9 7.047 -2.406 10.738
243 1H5* T 10 1H5' T 10 8.409 2.974 10.653
244 2H5* T 10 2H5' T 10 9.075 3.623 12.158
245 H4* T 10 H4' T 10 7.017 4.791 11.364
246 H3* T 10 H3' T 10 7.310 3.677 14.082
247 1H2* T 10 2H2' T 10 5.203 2.921 14.328
248 2H2* T 10 1H2' T 10 4.501 4.468 13.841
249 H1* T 10 H1' T 10 4.107 3.965 11.725
250 H3 T 10 H3 T 10 1.258 0.397 11.754
251 1H5M T 10 1H5M T 10 5.989 -1.238 13.976
252 2H5M T 10 2H5M T 10 4.447 -1.927 14.517
253 3H5M T 10 3H5M T 10 5.114 -2.373 12.939
254 H6 T 10 H6 T 10 5.781 0.994 13.250
255 1H5* C 11 1H5' C 11 4.643 7.181 12.972
256 2H5* C 11 2H5' C 11 4.571 8.513 14.139
257 H4* C 11 H4' C 11 2.413 8.057 12.996
258 H3* C 11 H3' C 11 2.736 8.383 15.810
259 H1* C 11 H1' C 11 0.311 5.905 14.028
260 1H4 C 11 1H4 C 11 3.177 0.131 15.859
261 2H4 C 11 2H4 C 11 1.607 -0.215 15.127
262 H5 C 11 H5 C 11 3.915 2.398 16.246
263 H6 C 11 H6 C 11 3.386 4.721 15.868
264 2H2* C 11 1H2' C 11 0.401 6.884 16.146
265 1H2* C 11 2H2' C 11 2.040 6.323 16.476
266 1H5* C 12 1H5' C 12 -1.262 8.537 16.635
267 2H5* C 12 2H5' C 12 -1.601 10.093 17.413
268 H4* C 12 H4' C 12 -1.932 8.227 18.974
269 H3* C 12 H3' C 12 -0.421 10.511 19.636
270 H1* C 12 H1' C 12 0.317 7.029 20.670
271 1H4 C 12 1H4 C 12 5.533 4.467 17.422
272 2H4 C 12 2H4 C 12 4.586 3.188 18.278
273 H5 C 12 H5 C 12 4.959 6.820 17.801
274 H6 C 12 H6 C 12 3.174 8.257 18.541
275 2H2* C 12 1H2' C 12 1.408 9.126 21.087
276 1H2* C 12 2H2' C 12 1.644 9.441 19.342
Start of MODEL 7
1 1H5* C 1 1H5' C 1 -5.133 -3.048 -22.216
2 2H5* C 1 2H5' C 1 -5.881 -4.640 -21.959
3 H4* C 1 H4' C 1 -3.527 -4.833 -21.571
4 H3* C 1 H3' C 1 -5.371 -5.508 -19.490
5 H1* C 1 H1' C 1 -1.861 -4.080 -19.189
6 1H4 C 1 1H4 C 1 -2.093 1.461 -15.475
7 2H4 C 1 2H4 C 1 -0.963 1.824 -16.760
8 H5 C 1 H5 C 1 -4.185 0.649 -17.498
9 H6 C 1 H6 C 1 -4.609 -1.507 -18.590
10 2H2* C 1 1H2' C 1 -3.428 -4.979 -17.604
11 1H2* C 1 2H2' C 1 -4.679 -3.778 -18.065
12 H3 C 1 H3 C 1 -0.247 -0.487 -16.792
13 1H5* C 2 1H5' C 2 -0.892 -6.615 -19.104
14 2H5* C 2 2H5' C 2 -0.831 -8.309 -18.575
15 H4* C 2 H4' C 2 1.042 -7.030 -17.709
16 H3* C 2 H3' C 2 -0.676 -8.575 -15.996
17 H1* C 2 H1' C 2 1.163 -5.279 -15.204
18 1H4 C 2 1H4 C 2 -3.831 -0.758 -14.579
19 2H4 C 2 2H4 C 2 -2.493 -0.150 -13.618
20 H5 C 2 H5 C 2 -3.942 -3.158 -15.091
21 H6 C 2 H6 C 2 -2.613 -5.126 -15.650
22 2H2* C 2 1H2' C 2 0.066 -6.940 -13.888
23 1H2* C 2 2H2' C 2 -1.470 -6.763 -14.780
24 H3 C 2 H3 C 2 -0.537 -1.270 -13.608
25 1H5* A 3 1H5' A 3 3.332 -6.937 -14.711
26 2H5* A 3 2H5' A 3 4.297 -8.171 -13.894
27 H4* A 3 H4' A 3 4.670 -5.734 -13.318
28 H3* A 3 H3' A 3 4.683 -7.973 -11.437
29 H1* A 3 H1' A 3 3.861 -4.267 -11.088
30 H8 A 3 H8 A 3 0.867 -6.461 -10.089
31 1H6 A 3 1H6 A 3 -2.241 -1.122 -11.013
32 2H6 A 3 2H6 A 3 -2.438 -2.854 -10.787
33 H2 A 3 H2 A 3 2.062 -0.211 -10.560
34 2H2* A 3 1H2' A 3 4.361 -5.989 -9.505
35 1H2* A 3 2H2' A 3 3.045 -7.009 -10.034
36 1H5* T 4 1H5' T 4 6.427 -3.829 -11.046
37 2H5* T 4 2H5' T 4 8.048 -3.809 -10.338
38 H4* T 4 H4' T 4 6.829 -1.771 -9.817
39 H3* T 4 H3' T 4 7.949 -3.513 -7.758
40 1H2* T 4 2H2' T 4 5.985 -3.718 -6.616
41 2H2* T 4 1H2' T 4 6.239 -2.090 -6.020
42 H1* T 4 H1' T 4 4.948 -1.062 -7.780
43 H3 T 4 H3 T 4 0.540 -1.796 -6.734
44 1H5M T 4 1H5M T 4 2.812 -6.695 -7.198
45 2H5M T 4 2H5M T 4 2.320 -6.388 -5.522
46 3H5M T 4 3H5M T 4 1.100 -6.487 -6.805
47 H6 T 4 H6 T 4 4.249 -4.818 -7.174
48 1H5* A 5 1H5' A 5 7.330 1.004 -7.336
49 2H5* A 5 2H5' A 5 8.641 1.750 -6.409
50 H4* A 5 H4' A 5 6.485 2.866 -6.096
51 H3* A 5 H3' A 5 8.156 1.938 -3.902
52 H1* A 5 H1' A 5 4.365 2.307 -4.149
53 H8 A 5 H8 A 5 5.423 -1.483 -3.742
54 1H6 A 5 1H6 A 5 -0.783 -2.417 -4.191
55 2H6 A 5 2H6 A 5 0.704 -3.238 -3.763
56 H2 A 5 H2 A 5 0.025 1.891 -4.333
57 2H2* A 5 1H2' A 5 5.888 1.970 -2.313
58 1H2* A 5 2H2' A 5 6.563 0.509 -3.063
59 1H5* A 6 1H5' A 6 5.371 5.691 -4.211
60 2H5* A 6 2H5' A 6 6.033 6.988 -3.208
61 H4* A 6 H4' A 6 3.625 7.167 -3.671
62 H3* A 6 H3' A 6 4.786 7.775 -1.237
63 H1* A 6 H1' A 6 1.570 5.647 -1.479
64 H8 A 6 H8 A 6 4.787 3.475 -0.779
65 1H6 A 6 1H6 A 6 0.778 -1.281 -0.919
66 2H6 A 6 2H6 A 6 2.465 -0.815 -0.732
67 H2 A 6 H2 A 6 -1.522 2.498 -1.455
68 2H2* A 6 1H2' A 6 2.858 6.604 0.244
69 1H2* A 6 2H2' A 6 4.297 5.701 -0.148
70 1H5* T 7 1H5' T 7 0.188 7.918 -1.725
71 2H5* T 7 2H5' T 7 -0.538 9.348 -0.974
72 H4* T 7 H4' T 7 -1.967 7.333 -0.919
73 H3* T 7 H3' T 7 -1.441 9.001 1.384
74 1H2* T 7 2H2' T 7 -0.554 7.307 2.696
75 2H2* T 7 1H2' T 7 -2.182 6.769 2.906
76 H1* T 7 H1' T 7 -2.215 5.285 1.084
77 H3 T 7 H3 T 7 0.080 1.529 2.228
78 1H5M T 7 1H5M T 7 4.097 4.088 2.595
79 2H5M T 7 2H5M T 7 3.502 5.749 2.706
80 3H5M T 7 3H5M T 7 3.413 4.674 4.118
81 H6 T 7 H6 T 7 1.158 6.179 2.459
82 1H5* T 8 1H5' T 8 -4.803 5.896 1.461
83 2H5* T 8 2H5' T 8 -6.279 6.488 2.242
84 H4* T 8 H4' T 8 -5.850 4.184 2.873
85 H3* T 8 H3' T 8 -6.056 6.298 4.871
86 1H2* T 8 2H2' T 8 -4.006 5.862 5.771
87 2H2* T 8 1H2' T 8 -4.797 4.505 6.590
88 H1* T 8 H1' T 8 -4.314 2.975 4.811
89 H3 T 8 H3 T 8 -0.015 1.474 5.004
90 1H5M T 8 1H5M T 8 0.423 6.786 5.106
91 2H5M T 8 2H5M T 8 0.494 6.313 6.819
92 3H5M T 8 3H5M T 8 1.739 5.761 5.691
93 H6 T 8 H6 T 8 -1.889 5.882 5.332
94 1H5* T 9 1H5' T 9 -7.382 1.695 5.856
95 2H5* T 9 2H5' T 9 -8.618 1.845 7.114
96 H4* T 9 H4' T 9 -7.311 -0.210 7.424
97 H3* T 9 H3' T 9 -7.239 1.970 9.496
98 1H2* T 9 2H2' T 9 -5.225 1.342 10.396
99 2H2* T 9 1H2' T 9 -5.616 -0.414 10.294
100 H1* T 9 H1' T 9 -4.468 -0.622 8.373
101 H3 T 9 H3 T 9 -0.272 1.140 8.118
102 1H5M T 9 1H5M T 9 -3.671 5.386 8.421
103 2H5M T 9 2H5M T 9 -2.518 5.287 9.758
104 3H5M T 9 3H5M T 9 -1.940 5.562 8.108
105 H6 T 9 H6 T 9 -4.591 3.248 8.520
106 1H5* A 10 1H5' A 10 -7.747 -2.547 10.826
107 2H5* A 10 2H5' A 10 -8.871 -2.661 12.190
108 H4* A 10 H4' A 10 -6.851 -4.177 12.255
109 H3* A 10 H3' A 10 -8.031 -2.944 14.457
110 H1* A 10 H1' A 10 -4.224 -3.047 13.889
111 H8 A 10 H8 A 10 -5.371 0.541 14.243
112 1H6 A 10 1H6 A 10 -0.162 2.041 11.142
113 2H6 A 10 2H6 A 10 -1.375 2.659 12.269
114 H2 A 10 H2 A 10 -0.783 -2.285 10.777
115 2H2* A 10 1H2' A 10 -5.675 -2.262 15.634
116 1H2* A 10 2H2' A 10 -6.559 -1.188 14.527
117 1H5* C 11 1H5' C 11 -4.570 -6.135 15.061
118 2H5* C 11 2H5' C 11 -4.514 -6.846 16.683
119 H4* C 11 H4' C 11 -2.312 -6.326 15.525
120 H3* C 11 H3' C 11 -2.772 -6.068 18.292
121 H1* C 11 H1' C 11 -0.780 -3.687 16.142
122 1H4 C 11 1H4 C 11 -3.884 2.323 16.435
123 2H4 C 11 2H4 C 11 -2.559 2.431 15.308
124 H5 C 11 H5 C 11 -4.498 0.193 17.400
125 H6 C 11 H6 C 11 -4.090 -2.210 17.431
126 2H2* C 11 1H2' C 11 -1.215 -3.823 18.496
127 1H2* C 11 2H2' C 11 -2.990 -3.744 18.250
128 H3 C 11 H3 C 11 -1.095 0.728 15.081
129 1H5* C 12 1H5' C 12 1.495 -5.012 16.438
130 2H5* C 12 2H5' C 12 2.490 -6.120 17.400
131 H4* C 12 H4' C 12 3.918 -4.366 16.768
132 H3* C 12 H3' C 12 3.385 -4.760 19.558
133 H1* C 12 H1' C 12 4.100 -1.452 17.743
134 1H4 C 12 1H4 C 12 -1.475 2.239 17.886
135 2H4 C 12 2H4 C 12 -0.474 3.020 19.142
136 H5 C 12 H5 C 12 -1.248 -0.408 18.578
137 H6 C 12 H6 C 12 0.445 -2.157 18.326
138 2H2* C 12 1H2' C 12 4.024 -2.118 20.047
139 1H2* C 12 2H2' C 12 2.326 -2.705 19.883
140 H3 C 12 H3 C 12 1.736 2.494 18.461
141 1H5* C 1 1H5' C 1 6.366 3.032 -20.084
142 2H5* C 1 2H5' C 1 7.067 4.465 -19.309
143 H4* C 1 H4' C 1 4.687 4.733 -19.461
144 H3* C 1 H3' C 1 6.033 5.021 -17.013
145 H1* C 1 H1' C 1 2.620 3.505 -17.466
146 1H4 C 1 1H4 C 1 2.990 -3.129 -16.688
147 2H4 C 1 2H4 C 1 1.323 -2.540 -16.871
148 H5 C 1 H5 C 1 4.837 -1.476 -16.750
149 H6 C 1 H6 C 1 5.309 0.879 -17.121
150 2H2* C 1 1H2' C 1 4.028 3.929 -15.541
151 1H2* C 1 2H2' C 1 5.334 2.924 -16.184
152 1H5* C 2 1H5' C 2 1.431 6.022 -17.319
153 2H5* C 2 2H5' C 2 1.086 7.485 -16.382
154 H4* C 2 H4' C 2 -0.767 5.868 -16.442
155 H3* C 2 H3' C 2 0.201 7.115 -14.029
156 H1* C 2 H1' C 2 -1.330 3.660 -14.559
157 1H4 C 2 1H4 C 2 3.534 -0.755 -13.417
158 2H4 C 2 2H4 C 2 1.952 -1.558 -13.453
159 H5 C 2 H5 C 2 3.698 1.656 -13.705
160 H6 C 2 H6 C 2 2.411 3.669 -14.099
161 2H2* C 2 1H2' C 2 -0.885 4.969 -12.630
162 1H2* C 2 2H2' C 2 0.829 5.156 -12.994
163 1H5* T 3 1H5' T 3 -3.864 5.076 -14.670
164 2H5* T 3 2H5' T 3 -5.159 6.133 -14.089
165 H4* T 3 H4' T 3 -5.686 3.701 -14.161
166 H3* T 3 H3' T 3 -6.567 5.463 -12.218
167 1H2* T 3 2H2' T 3 -4.910 4.991 -10.685
168 2H2* T 3 1H2' T 3 -6.080 3.808 -10.086
169 H1* T 3 H1' T 3 -5.203 2.034 -11.373
170 H3 T 3 H3 T 3 -1.129 0.367 -10.177
171 1H5M T 3 1H5M T 3 -0.804 5.232 -8.421
172 2H5M T 3 2H5M T 3 0.613 4.660 -9.322
173 3H5M T 3 3H5M T 3 -0.578 5.695 -10.122
174 H6 T 3 H6 T 3 -2.919 4.833 -10.251
175 1H5* A 4 1H5' A 4 -7.362 0.977 -12.023
176 2H5* A 4 2H5' A 4 -9.058 0.667 -11.632
177 H4* A 4 H4' A 4 -7.694 -1.136 -10.854
178 H3* A 4 H3' A 4 -9.342 0.422 -8.990
179 H1* A 4 H1' A 4 -6.204 -1.706 -8.619
180 H8 A 4 H8 A 4 -5.623 1.857 -7.300
181 1H6 A 4 1H6 A 4 0.449 0.055 -7.340
182 2H6 A 4 2H6 A 4 -0.523 1.488 -7.033
183 H2 A 4 H2 A 4 -2.046 -3.360 -7.982
184 2H2* A 4 1H2' A 4 -7.768 -0.736 -6.985
185 1H2* A 4 2H2' A 4 -7.529 0.887 -7.630
186 1H5* T 5 1H5' T 5 -7.750 -3.657 -8.293
187 2H5* T 5 2H5' T 5 -8.793 -4.764 -7.385
188 H4* T 5 H4' T 5 -6.549 -5.002 -6.614
189 H3* T 5 H3' T 5 -8.646 -4.163 -4.780
190 1H2* T 5 2H2' T 5 -7.599 -2.108 -4.665
191 2H2* T 5 1H2' T 5 -6.813 -2.777 -3.252
192 H1* T 5 H1' T 5 -5.045 -3.786 -4.737
193 H3 T 5 H3 T 5 -1.753 -0.809 -4.364
194 1H5M T 5 1H5M T 5 -5.241 1.619 -1.977
195 2H5M T 5 2H5M T 5 -4.965 2.675 -3.382
196 3H5M T 5 3H5M T 5 -6.470 1.756 -3.267
197 H6 T 5 H6 T 5 -6.516 -0.370 -4.268
198 1H5* T 6 1H5' T 6 -4.639 -6.301 -4.141
199 2H5* T 6 2H5' T 6 -5.079 -7.669 -3.110
200 H4* T 6 H4' T 6 -2.688 -7.297 -3.132
201 H3* T 6 H3' T 6 -4.288 -7.489 -0.746
202 1H2* T 6 2H2' T 6 -3.714 -5.498 0.204
203 2H2* T 6 1H2' T 6 -2.118 -6.184 0.517
204 H1* T 6 H1' T 6 -1.118 -5.240 -1.346
205 H3 T 6 H3 T 6 -1.049 -0.673 -0.877
206 1H5M T 6 1H5M T 6 -5.853 -0.676 -1.457
207 2H5M T 6 2H5M T 6 -6.287 -2.293 -0.890
208 3H5M T 6 3H5M T 6 -5.797 -1.052 0.271
209 H6 T 6 H6 T 6 -4.623 -3.889 -1.101
210 1H5* A 7 1H5' A 7 0.189 -7.825 -0.376
211 2H5* A 7 2H5' A 7 0.676 -9.235 0.582
212 H4* A 7 H4' A 7 2.118 -7.337 1.025
213 H3* A 7 H3' A 7 0.666 -8.715 3.138
214 H1* A 7 H1' A 7 1.846 -5.106 2.863
215 H8 A 7 H8 A 7 -2.061 -5.247 3.327
216 1H6 A 7 1H6 A 7 -1.764 0.832 1.885
217 2H6 A 7 2H6 A 7 -2.855 -0.438 2.422
218 H2 A 7 H2 A 7 2.330 -0.774 1.979
219 2H2* A 7 1H2' A 7 0.977 -6.444 4.686
220 1H2* A 7 2H2' A 7 -0.495 -6.835 3.774
221 1H5* A 8 1H5' A 8 4.832 -6.514 3.340
222 2H5* A 8 2H5' A 8 5.827 -7.484 4.436
223 H4* A 8 H4' A 8 6.627 -5.219 4.306
224 H3* A 8 H3' A 8 6.249 -6.568 6.711
225 H1* A 8 H1' A 8 5.227 -2.884 6.219
226 H8 A 8 H8 A 8 2.136 -5.310 6.348
227 1H6 A 8 1H6 A 8 -1.140 -0.102 5.258
228 2H6 A 8 2H6 A 8 -1.269 -1.821 5.606
229 H2 A 8 H2 A 8 3.161 0.941 5.333
230 2H2* A 8 1H2' A 8 5.275 -4.409 8.056
231 1H2* A 8 2H2' A 8 4.213 -5.565 7.239
232 1H5* A 9 1H5' A 9 8.513 -2.221 6.671
233 2H5* A 9 2H5' A 9 9.827 -2.437 7.837
234 H4* A 9 H4' A 9 9.123 -0.122 7.723
235 H3* A 9 H3' A 9 9.593 -1.408 10.111
236 H1* A 9 H1' A 9 6.535 0.807 9.608
237 H8 A 9 H8 A 9 5.470 -2.945 9.748
238 1H6 A 9 1H6 A 9 -0.217 -0.796 8.544
239 2H6 A 9 2H6 A 9 0.763 -2.226 8.852
240 H2 A 9 H2 A 9 2.615 2.639 8.341
241 2H2* A 9 1H2' A 9 7.396 -0.545 11.412
242 1H2* A 9 2H2' A 9 7.337 -2.025 10.451
243 1H5* T 10 1H5' T 10 7.974 3.025 10.240
244 2H5* T 10 2H5' T 10 8.756 3.931 11.545
245 H4* T 10 H4' T 10 6.443 4.636 11.139
246 H3* T 10 H3' T 10 7.425 3.906 13.775
247 1H2* T 10 2H2' T 10 5.886 2.256 14.085
248 2H2* T 10 1H2' T 10 4.770 3.570 14.464
249 H1* T 10 H1' T 10 3.979 3.744 12.209
250 H3 T 10 H3 T 10 0.948 0.385 11.520
251 1H5M T 10 1H5M T 10 5.569 -1.987 13.108
252 2H5M T 10 2H5M T 10 4.226 -2.266 14.237
253 3H5M T 10 3H5M T 10 4.157 -2.915 12.590
254 H6 T 10 H6 T 10 5.443 0.395 13.204
255 1H5* C 11 1H5' C 11 3.936 6.933 12.746
256 2H5* C 11 2H5' C 11 3.941 8.243 13.938
257 H4* C 11 H4' C 11 1.720 7.836 12.978
258 H3* C 11 H3' C 11 2.254 8.073 15.756
259 H1* C 11 H1' C 11 -0.304 5.623 14.118
260 1H4 C 11 1H4 C 11 2.764 -0.193 15.476
261 2H4 C 11 2H4 C 11 1.116 -0.472 14.885
262 H5 C 11 H5 C 11 3.567 2.095 15.796
263 H6 C 11 H6 C 11 2.972 4.431 15.541
264 2H2* C 11 1H2' C 11 -0.011 6.524 16.257
265 1H2* C 11 2H2' C 11 1.658 5.967 16.396
266 1H5* C 12 1H5' C 12 -1.738 8.105 16.856
267 2H5* C 12 2H5' C 12 -2.053 9.626 17.709
268 H4* C 12 H4' C 12 -2.292 7.687 19.204
269 H3* C 12 H3' C 12 -0.818 9.973 19.905
270 H1* C 12 H1' C 12 0.105 6.472 20.738
271 1H4 C 12 1H4 C 12 5.234 4.305 17.068
272 2H4 C 12 2H4 C 12 4.356 2.924 17.843
273 H5 C 12 H5 C 12 4.552 6.592 17.571
274 H6 C 12 H6 C 12 2.779 7.918 18.513
275 2H2* C 12 1H2' C 12 1.128 8.586 21.195
276 1H2* C 12 2H2' C 12 1.263 8.994 19.458
Start of MODEL 8
1 1H5* C 1 1H5' C 1 -4.259 -2.514 -22.457
2 2H5* C 1 2H5' C 1 -5.190 -4.013 -22.243
3 H4* C 1 H4' C 1 -2.929 -4.437 -21.603
4 H3* C 1 H3' C 1 -5.033 -4.835 -19.713
5 H1* C 1 H1' C 1 -1.437 -3.666 -19.009
6 1H4 C 1 1H4 C 1 -1.886 2.161 -15.789
7 2H4 C 1 2H4 C 1 -0.625 2.417 -16.973
8 H5 C 1 H5 C 1 -3.742 1.266 -18.026
9 H6 C 1 H6 C 1 -4.110 -0.958 -18.984
10 2H2* C 1 1H2' C 1 -3.249 -4.421 -17.644
11 1H2* C 1 2H2' C 1 -4.343 -3.143 -18.261
12 H3 C 1 H3 C 1 0.004 0.070 -16.678
13 1H5* C 2 1H5' C 2 -0.769 -6.402 -18.995
14 2H5* C 2 2H5' C 2 -0.895 -8.073 -18.410
15 H4* C 2 H4' C 2 1.076 -6.906 -17.546
16 H3* C 2 H3' C 2 -0.789 -8.299 -15.856
17 H1* C 2 H1' C 2 1.218 -5.057 -15.046
18 1H4 C 2 1H4 C 2 -3.454 -0.662 -13.167
19 2H4 C 2 2H4 C 2 -2.498 0.220 -14.314
20 H5 C 2 H5 C 2 -3.865 -2.871 -15.186
21 H6 C 2 H6 C 2 -2.537 -4.868 -15.661
22 2H2* C 2 1H2' C 2 0.122 -6.695 -13.759
23 1H2* C 2 2H2' C 2 -1.438 -6.472 -14.599
24 H3 C 2 H3 C 2 -0.512 -0.999 -13.591
25 1H5* A 3 1H5' A 3 3.452 -7.209 -14.433
26 2H5* A 3 2H5' A 3 4.175 -8.538 -13.523
27 H4* A 3 H4' A 3 4.758 -6.092 -12.971
28 H3* A 3 H3' A 3 4.572 -8.326 -11.110
29 H1* A 3 H1' A 3 3.874 -4.577 -10.714
30 H8 A 3 H8 A 3 0.806 -6.755 -9.907
31 1H6 A 3 1H6 A 3 -2.200 -1.439 -11.214
32 2H6 A 3 2H6 A 3 -2.437 -3.160 -10.928
33 H2 A 3 H2 A 3 2.035 -0.513 -10.405
34 2H2* A 3 1H2' A 3 4.266 -6.342 -9.165
35 1H2* A 3 2H2' A 3 2.942 -7.316 -9.750
36 1H5* T 4 1H5' T 4 6.484 -4.303 -10.627
37 2H5* T 4 2H5' T 4 8.052 -4.310 -9.810
38 H4* T 4 H4' T 4 6.815 -2.243 -9.415
39 H3* T 4 H3' T 4 7.818 -3.937 -7.256
40 1H2* T 4 2H2' T 4 5.797 -4.090 -6.207
41 2H2* T 4 1H2' T 4 6.035 -2.445 -5.655
42 H1* T 4 H1' T 4 4.842 -1.466 -7.507
43 H3 T 4 H3 T 4 0.385 -2.132 -6.648
44 1H5M T 4 1H5M T 4 2.581 -7.063 -6.917
45 2H5M T 4 2H5M T 4 2.159 -6.703 -5.231
46 3H5M T 4 3H5M T 4 0.888 -6.822 -6.461
47 H6 T 4 H6 T 4 4.082 -5.196 -6.812
48 1H5* A 5 1H5' A 5 7.241 0.619 -7.026
49 2H5* A 5 2H5' A 5 8.481 1.383 -6.019
50 H4* A 5 H4' A 5 6.301 2.512 -5.919
51 H3* A 5 H3' A 5 7.808 1.673 -3.574
52 H1* A 5 H1' A 5 4.040 2.026 -4.126
53 H8 A 5 H8 A 5 5.096 -1.745 -3.557
54 1H6 A 5 1H6 A 5 -1.086 -2.711 -4.193
55 2H6 A 5 2H6 A 5 0.388 -3.517 -3.698
56 H2 A 5 H2 A 5 -0.292 1.600 -4.351
57 2H2* A 5 1H2' A 5 5.417 1.805 -2.169
58 1H2* A 5 2H2' A 5 6.146 0.301 -2.773
59 1H5* A 6 1H5' A 6 4.980 5.367 -4.170
60 2H5* A 6 2H5' A 6 5.666 6.715 -3.252
61 H4* A 6 H4' A 6 3.264 6.920 -3.745
62 H3* A 6 H3' A 6 4.412 7.714 -1.383
63 H1* A 6 H1' A 6 1.223 5.547 -1.370
64 H8 A 6 H8 A 6 4.431 3.446 -0.462
65 1H6 A 6 1H6 A 6 0.547 -1.403 -0.907
66 2H6 A 6 2H6 A 6 2.210 -0.913 -0.588
67 H2 A 6 H2 A 6 -1.769 2.293 -1.682
68 2H2* A 6 1H2' A 6 2.584 6.612 0.242
69 1H2* A 6 2H2' A 6 4.003 5.685 -0.168
70 1H5* T 7 1H5' T 7 -0.213 7.766 -1.831
71 2H5* T 7 2H5' T 7 -0.965 9.196 -1.111
72 H4* T 7 H4' T 7 -2.336 7.147 -0.976
73 H3* T 7 H3' T 7 -1.818 8.887 1.278
74 1H2* T 7 2H2' T 7 -0.873 7.242 2.611
75 2H2* T 7 1H2' T 7 -2.488 6.677 2.865
76 H1* T 7 H1' T 7 -2.517 5.157 1.062
77 H3 T 7 H3 T 7 -0.167 1.454 2.293
78 1H5M T 7 1H5M T 7 3.417 4.073 3.880
79 2H5M T 7 2H5M T 7 3.694 4.689 2.241
80 3H5M T 7 3H5M T 7 2.951 5.730 3.470
81 H6 T 7 H6 T 7 0.848 6.122 2.419
82 1H5* T 8 1H5' T 8 -5.091 5.706 1.477
83 2H5* T 8 2H5' T 8 -6.574 6.276 2.261
84 H4* T 8 H4' T 8 -6.083 4.006 2.945
85 H3* T 8 H3' T 8 -6.301 6.161 4.898
86 1H2* T 8 2H2' T 8 -4.219 5.782 5.765
87 2H2* T 8 1H2' T 8 -4.977 4.437 6.637
88 H1* T 8 H1' T 8 -4.511 2.870 4.878
89 H3 T 8 H3 T 8 -0.210 1.401 5.117
90 1H5M T 8 1H5M T 8 0.214 6.707 5.046
91 2H5M T 8 2H5M T 8 0.258 6.310 6.778
92 3H5M T 8 3H5M T 8 1.523 5.711 5.697
93 H6 T 8 H6 T 8 -2.104 5.808 5.292
94 1H5* T 9 1H5' T 9 -7.487 1.556 6.015
95 2H5* T 9 2H5' T 9 -8.724 1.701 7.272
96 H4* T 9 H4' T 9 -7.342 -0.305 7.623
97 H3* T 9 H3' T 9 -7.379 1.915 9.647
98 1H2* T 9 2H2' T 9 -5.322 1.444 10.533
99 2H2* T 9 1H2' T 9 -5.637 -0.330 10.545
100 H1* T 9 H1' T 9 -4.542 -0.623 8.596
101 H3 T 9 H3 T 9 -0.340 1.113 8.254
102 1H5M T 9 1H5M T 9 -3.682 5.386 8.323
103 2H5M T 9 2H5M T 9 -2.672 5.317 9.774
104 3H5M T 9 3H5M T 9 -1.926 5.539 8.185
105 H6 T 9 H6 T 9 -4.647 3.253 8.603
106 1H5* A 10 1H5' A 10 -7.669 -2.588 11.120
107 2H5* A 10 2H5' A 10 -8.758 -2.711 12.512
108 H4* A 10 H4' A 10 -6.655 -4.107 12.593
109 H3* A 10 H3' A 10 -7.834 -2.799 14.778
110 H1* A 10 H1' A 10 -4.068 -2.917 14.084
111 H8 A 10 H8 A 10 -5.175 0.689 14.401
112 1H6 A 10 1H6 A 10 -0.027 2.087 11.156
113 2H6 A 10 2H6 A 10 -1.200 2.737 12.305
114 H2 A 10 H2 A 10 -0.674 -2.248 10.918
115 2H2* A 10 1H2' A 10 -5.452 -2.060 15.865
116 1H2* A 10 2H2' A 10 -6.376 -1.029 14.747
117 1H5* C 11 1H5' C 11 -4.363 -5.961 15.341
118 2H5* C 11 2H5' C 11 -4.220 -6.625 16.976
119 H4* C 11 H4' C 11 -2.086 -6.130 15.675
120 H3* C 11 H3' C 11 -2.388 -5.826 18.461
121 H1* C 11 H1' C 11 -0.517 -3.497 16.159
122 1H4 C 11 1H4 C 11 -3.558 2.542 16.536
123 2H4 C 11 2H4 C 11 -2.252 2.637 15.384
124 H5 C 11 H5 C 11 -4.159 0.418 17.533
125 H6 C 11 H6 C 11 -3.767 -1.989 17.562
126 2H2* C 11 1H2' C 11 -0.826 -3.577 18.540
127 1H2* C 11 2H2' C 11 -2.611 -3.499 18.384
128 H3 C 11 H3 C 11 -0.822 0.919 15.114
129 1H5* C 12 1H5' C 12 1.750 -4.740 16.347
130 2H5* C 12 2H5' C 12 2.786 -5.876 17.230
131 H4* C 12 H4' C 12 4.207 -4.145 16.539
132 H3* C 12 H3' C 12 3.838 -4.563 19.344
133 H1* C 12 H1' C 12 4.470 -1.226 17.554
134 1H4 C 12 1H4 C 12 -1.093 2.461 17.936
135 2H4 C 12 2H4 C 12 -0.030 3.258 19.127
136 H5 C 12 H5 C 12 -0.840 -0.177 18.609
137 H6 C 12 H6 C 12 0.840 -1.929 18.295
138 2H2* C 12 1H2' C 12 4.490 -1.931 19.847
139 1H2* C 12 2H2' C 12 2.784 -2.512 19.746
140 H3 C 12 H3 C 12 2.147 2.718 18.383
141 1H5* C 1 1H5' C 1 7.258 3.697 -18.787
142 2H5* C 1 2H5' C 1 7.757 5.134 -17.874
143 H4* C 1 H4' C 1 5.469 5.392 -18.569
144 H3* C 1 H3' C 1 6.237 5.686 -15.882
145 H1* C 1 H1' C 1 3.014 4.166 -17.096
146 1H4 C 1 1H4 C 1 3.124 -2.445 -15.959
147 2H4 C 1 2H4 C 1 1.543 -1.879 -16.534
148 H5 C 1 H5 C 1 4.997 -0.804 -15.824
149 H6 C 1 H6 C 1 5.550 1.546 -16.119
150 2H2* C 1 1H2' C 1 3.932 4.615 -14.911
151 1H2* C 1 2H2' C 1 5.354 3.602 -15.211
152 1H5* C 2 1H5' C 2 1.776 6.559 -16.983
153 2H5* C 2 2H5' C 2 1.164 7.971 -16.109
154 H4* C 2 H4' C 2 -0.481 6.155 -16.417
155 H3* C 2 H3' C 2 -0.025 7.506 -13.909
156 H1* C 2 H1' C 2 -1.178 4.031 -14.675
157 1H4 C 2 1H4 C 2 3.397 -0.473 -12.952
158 2H4 C 2 2H4 C 2 1.840 -1.251 -13.293
159 H5 C 2 H5 C 2 3.596 1.952 -12.971
160 H6 C 2 H6 C 2 2.416 3.994 -13.491
161 2H2* C 2 1H2' C 2 -1.029 5.278 -12.621
162 1H2* C 2 2H2' C 2 0.701 5.582 -12.822
163 1H5* T 3 1H5' T 3 -3.662 4.883 -14.983
164 2H5* T 3 2H5' T 3 -5.144 5.782 -14.629
165 H4* T 3 H4' T 3 -5.416 3.337 -14.583
166 H3* T 3 H3' T 3 -6.532 5.095 -12.706
167 1H2* T 3 2H2' T 3 -4.970 4.643 -11.063
168 2H2* T 3 1H2' T 3 -6.148 3.406 -10.580
169 H1* T 3 H1' T 3 -5.115 1.713 -11.925
170 H3 T 3 H3 T 3 -1.187 0.025 -10.312
171 1H5M T 3 1H5M T 3 -1.208 4.878 -8.389
172 2H5M T 3 2H5M T 3 0.348 4.255 -8.966
173 3H5M T 3 3H5M T 3 -0.622 5.303 -10.010
174 H6 T 3 H6 T 3 -3.042 4.465 -10.360
175 1H5* A 4 1H5' A 4 -7.148 0.561 -12.554
176 2H5* A 4 2H5' A 4 -8.857 0.196 -12.289
177 H4* A 4 H4' A 4 -7.521 -1.548 -11.369
178 H3* A 4 H3' A 4 -9.322 0.009 -9.648
179 H1* A 4 H1' A 4 -6.196 -2.062 -9.045
180 H8 A 4 H8 A 4 -5.727 1.503 -7.682
181 1H6 A 4 1H6 A 4 0.338 -0.296 -7.310
182 2H6 A 4 2H6 A 4 -0.637 1.150 -7.095
183 H2 A 4 H2 A 4 -2.094 -3.696 -8.095
184 2H2* A 4 1H2' A 4 -7.867 -1.088 -7.525
185 1H2* A 4 2H2' A 4 -7.605 0.529 -8.181
186 1H5* T 5 1H5' T 5 -7.747 -4.085 -8.794
187 2H5* T 5 2H5' T 5 -8.839 -5.174 -7.920
188 H4* T 5 H4' T 5 -6.622 -5.382 -7.040
189 H3* T 5 H3' T 5 -8.825 -4.585 -5.326
190 1H2* T 5 2H2' T 5 -7.836 -2.496 -5.172
191 2H2* T 5 1H2' T 5 -7.113 -3.141 -3.711
192 H1* T 5 H1' T 5 -5.249 -4.126 -5.092
193 H3 T 5 H3 T 5 -2.045 -1.115 -4.476
194 1H5M T 5 1H5M T 5 -5.748 1.242 -2.340
195 2H5M T 5 2H5M T 5 -5.375 2.316 -3.709
196 3H5M T 5 3H5M T 5 -6.872 1.374 -3.721
197 H6 T 5 H6 T 5 -6.805 -0.729 -4.764
198 1H5* T 6 1H5' T 6 -4.752 -6.464 -4.419
199 2H5* T 6 2H5' T 6 -5.180 -7.856 -3.416
200 H4* T 6 H4' T 6 -2.820 -7.354 -3.273
201 H3* T 6 H3' T 6 -4.567 -7.622 -0.995
202 1H2* T 6 2H2' T 6 -4.161 -5.567 -0.085
203 2H2* T 6 1H2' T 6 -2.592 -6.206 0.423
204 H1* T 6 H1' T 6 -1.437 -5.338 -1.434
205 H3 T 6 H3 T 6 -1.300 -0.797 -0.756
206 1H5M T 6 1H5M T 6 -6.293 -1.528 -2.008
207 2H5M T 6 2H5M T 6 -6.451 -2.143 -0.356
208 3H5M T 6 3H5M T 6 -5.993 -0.458 -0.626
209 H6 T 6 H6 T 6 -4.914 -3.896 -1.444
210 1H5* A 7 1H5' A 7 -0.044 -7.842 -0.471
211 2H5* A 7 2H5' A 7 0.401 -9.273 0.478
212 H4* A 7 H4' A 7 1.893 -7.413 0.931
213 H3* A 7 H3' A 7 0.436 -8.800 3.026
214 H1* A 7 H1' A 7 1.646 -5.189 2.826
215 H8 A 7 H8 A 7 -2.265 -5.354 3.243
216 1H6 A 7 1H6 A 7 -1.997 0.744 1.917
217 2H6 A 7 2H6 A 7 -3.080 -0.550 2.409
218 H2 A 7 H2 A 7 2.115 -0.823 2.061
219 2H2* A 7 1H2' A 7 0.771 -6.562 4.616
220 1H2* A 7 2H2' A 7 -0.705 -6.926 3.698
221 1H5* A 8 1H5' A 8 4.606 -6.645 3.251
222 2H5* A 8 2H5' A 8 5.607 -7.610 4.345
223 H4* A 8 H4' A 8 6.388 -5.339 4.207
224 H3* A 8 H3' A 8 6.028 -6.689 6.623
225 H1* A 8 H1' A 8 5.033 -3.002 6.110
226 H8 A 8 H8 A 8 1.927 -5.407 6.271
227 1H6 A 8 1H6 A 8 -1.344 -0.178 5.299
228 2H6 A 8 2H6 A 8 -1.464 -1.902 5.630
229 H2 A 8 H2 A 8 2.973 0.854 5.336
230 2H2* A 8 1H2' A 8 5.088 -4.514 7.965
231 1H2* A 8 2H2' A 8 4.010 -5.666 7.165
232 1H5* A 9 1H5' A 9 8.328 -2.380 6.462
233 2H5* A 9 2H5' A 9 9.680 -2.605 7.584
234 H4* A 9 H4' A 9 9.030 -0.276 7.446
235 H3* A 9 H3' A 9 9.564 -1.519 9.839
236 H1* A 9 H1' A 9 6.514 0.736 9.420
237 H8 A 9 H8 A 9 5.429 -3.012 9.609
238 1H6 A 9 1H6 A 9 -0.281 -0.831 8.594
239 2H6 A 9 2H6 A 9 0.706 -2.265 8.863
240 H2 A 9 H2 A 9 2.563 2.597 8.323
241 2H2* A 9 1H2' A 9 7.437 -0.594 11.205
242 1H2* A 9 2H2' A 9 7.313 -2.089 10.279
243 1H5* T 10 1H5' T 10 8.067 2.965 9.917
244 2H5* T 10 2H5' T 10 8.912 3.879 11.176
245 H4* T 10 H4' T 10 6.601 4.632 10.810
246 H3* T 10 H3' T 10 7.654 3.983 13.433
247 1H2* T 10 2H2' T 10 6.110 2.369 13.864
248 2H2* T 10 1H2' T 10 5.022 3.709 14.226
249 H1* T 10 H1' T 10 4.145 3.803 12.004
250 H3 T 10 H3 T 10 1.090 0.432 11.529
251 1H5M T 10 1H5M T 10 5.756 -1.930 12.917
252 2H5M T 10 2H5M T 10 4.553 -2.091 14.216
253 3H5M T 10 3H5M T 10 4.278 -2.857 12.642
254 H6 T 10 H6 T 10 5.636 0.486 13.061
255 1H5* C 11 1H5' C 11 4.147 7.009 12.430
256 2H5* C 11 2H5' C 11 4.221 8.360 13.573
257 H4* C 11 H4' C 11 1.952 7.955 12.738
258 H3* C 11 H3' C 11 2.629 8.243 15.486
259 H1* C 11 H1' C 11 -0.045 5.795 14.020
260 1H4 C 11 1H4 C 11 3.036 -0.011 15.405
261 2H4 C 11 2H4 C 11 1.370 -0.288 14.869
262 H5 C 11 H5 C 11 3.864 2.284 15.643
263 H6 C 11 H6 C 11 3.274 4.617 15.352
264 2H2* C 11 1H2' C 11 0.338 6.765 16.108
265 1H2* C 11 2H2' C 11 1.999 6.180 16.214
266 1H5* C 12 1H5' C 12 -1.334 8.336 16.743
267 2H5* C 12 2H5' C 12 -1.597 9.870 17.587
268 H4* C 12 H4' C 12 -1.826 7.949 19.109
269 H3* C 12 H3' C 12 -0.315 10.228 19.743
270 H1* C 12 H1' C 12 0.614 6.732 20.595
271 1H4 C 12 1H4 C 12 5.603 4.492 16.780
272 2H4 C 12 2H4 C 12 4.756 3.128 17.619
273 H5 C 12 H5 C 12 4.941 6.788 17.261
274 H6 C 12 H6 C 12 3.205 8.133 18.242
275 2H2* C 12 1H2' C 12 1.657 8.846 20.993
276 1H2* C 12 2H2' C 12 1.747 9.231 19.251
Start of MODEL 9
1 1H5* C 1 1H5' C 1 -3.860 -2.637 -22.834
2 2H5* C 1 2H5' C 1 -4.700 -4.202 -22.803
3 H4* C 1 H4' C 1 -2.485 -4.550 -22.007
4 H3* C 1 H3' C 1 -4.686 -5.156 -20.277
5 H1* C 1 H1' C 1 -1.189 -3.898 -19.333
6 1H4 C 1 1H4 C 1 -1.896 1.669 -15.719
7 2H4 C 1 2H4 C 1 -0.656 2.059 -16.893
8 H5 C 1 H5 C 1 -3.722 0.842 -18.012
9 H6 C 1 H6 C 1 -3.987 -1.318 -19.136
10 2H2* C 1 1H2' C 1 -3.025 -4.802 -18.087
11 1H2* C 1 2H2' C 1 -4.145 -3.537 -18.681
12 H3 C 1 H3 C 1 0.085 -0.273 -16.765
13 1H5* C 2 1H5' C 2 -0.431 -6.462 -19.370
14 2H5* C 2 2H5' C 2 -0.433 -8.156 -18.843
15 H4* C 2 H4' C 2 1.341 -6.840 -17.796
16 H3* C 2 H3' C 2 -0.531 -8.430 -16.263
17 H1* C 2 H1' C 2 1.284 -5.168 -15.334
18 1H4 C 2 1H4 C 2 -3.474 -1.061 -13.023
19 2H4 C 2 2H4 C 2 -2.481 -0.018 -14.003
20 H5 C 2 H5 C 2 -3.821 -3.024 -15.221
21 H6 C 2 H6 C 2 -2.466 -4.918 -15.965
22 2H2* C 2 1H2' C 2 0.110 -6.834 -14.079
23 1H2* C 2 2H2' C 2 -1.374 -6.639 -15.053
24 H3 C 2 H3 C 2 -0.456 -1.256 -13.540
25 1H5* A 3 1H5' A 3 3.504 -6.976 -14.773
26 2H5* A 3 2H5' A 3 4.362 -8.227 -13.869
27 H4* A 3 H4' A 3 4.754 -5.749 -13.355
28 H3* A 3 H3' A 3 4.748 -7.963 -11.453
29 H1* A 3 H1' A 3 3.869 -4.261 -11.141
30 H8 A 3 H8 A 3 0.880 -6.511 -10.254
31 1H6 A 3 1H6 A 3 -2.254 -1.162 -11.036
32 2H6 A 3 2H6 A 3 -2.454 -2.904 -10.854
33 H2 A 3 H2 A 3 2.032 -0.242 -10.555
34 2H2* A 3 1H2' A 3 4.359 -5.971 -9.545
35 1H2* A 3 2H2' A 3 3.067 -7.011 -10.093
36 1H5* T 4 1H5' T 4 6.404 -3.796 -11.050
37 2H5* T 4 2H5' T 4 8.018 -3.745 -10.326
38 H4* T 4 H4' T 4 6.761 -1.722 -9.839
39 H3* T 4 H3' T 4 7.900 -3.418 -7.760
40 1H2* T 4 2H2' T 4 5.929 -3.672 -6.640
41 2H2* T 4 1H2' T 4 6.149 -2.043 -6.032
42 H1* T 4 H1' T 4 4.858 -1.028 -7.804
43 H3 T 4 H3 T 4 0.459 -1.831 -6.753
44 1H5M T 4 1H5M T 4 2.791 -6.684 -7.331
45 2H5M T 4 2H5M T 4 2.294 -6.435 -5.646
46 3H5M T 4 3H5M T 4 1.077 -6.511 -6.934
47 H6 T 4 H6 T 4 4.213 -4.794 -7.225
48 1H5* A 5 1H5' A 5 7.126 1.081 -7.276
49 2H5* A 5 2H5' A 5 8.423 1.852 -6.347
50 H4* A 5 H4' A 5 6.243 2.885 -5.956
51 H3* A 5 H3' A 5 7.957 1.900 -3.812
52 H1* A 5 H1' A 5 4.169 2.223 -4.043
53 H8 A 5 H8 A 5 5.245 -1.573 -3.734
54 1H6 A 5 1H6 A 5 -0.958 -2.505 -4.251
55 2H6 A 5 2H6 A 5 0.529 -3.345 -3.863
56 H2 A 5 H2 A 5 -0.157 1.799 -4.280
57 2H2* A 5 1H2' A 5 5.693 1.841 -2.215
58 1H2* A 5 2H2' A 5 6.389 0.418 -3.017
59 1H5* A 6 1H5' A 6 5.160 5.678 -3.936
60 2H5* A 6 2H5' A 6 5.803 6.914 -2.846
61 H4* A 6 H4' A 6 3.394 7.090 -3.333
62 H3* A 6 H3' A 6 4.520 7.586 -0.853
63 H1* A 6 H1' A 6 1.323 5.454 -1.260
64 H8 A 6 H8 A 6 4.546 3.268 -0.634
65 1H6 A 6 1H6 A 6 0.545 -1.490 -0.923
66 2H6 A 6 2H6 A 6 2.230 -1.023 -0.716
67 H2 A 6 H2 A 6 -1.757 2.303 -1.366
68 2H2* A 6 1H2' A 6 2.566 6.338 0.528
69 1H2* A 6 2H2' A 6 4.015 5.462 0.136
70 1H5* T 7 1H5' T 7 -0.085 7.777 -1.441
71 2H5* T 7 2H5' T 7 -0.814 9.173 -0.632
72 H4* T 7 H4' T 7 -2.262 7.169 -0.723
73 H3* T 7 H3' T 7 -1.804 8.736 1.653
74 1H2* T 7 2H2' T 7 -0.915 7.005 2.906
75 2H2* T 7 1H2' T 7 -2.547 6.459 3.093
76 H1* T 7 H1' T 7 -2.560 5.029 1.221
77 H3 T 7 H3 T 7 -0.259 1.238 2.235
78 1H5M T 7 1H5M T 7 3.738 3.825 2.720
79 2H5M T 7 2H5M T 7 3.121 5.459 2.992
80 3H5M T 7 3H5M T 7 3.055 4.253 4.294
81 H6 T 7 H6 T 7 0.796 5.880 2.670
82 1H5* T 8 1H5' T 8 -5.146 5.614 1.580
83 2H5* T 8 2H5' T 8 -6.636 6.172 2.358
84 H4* T 8 H4' T 8 -6.192 3.860 2.944
85 H3* T 8 H3' T 8 -6.464 5.924 4.968
86 1H2* T 8 2H2' T 8 -4.388 5.546 5.844
87 2H2* T 8 1H2' T 8 -5.153 4.188 6.692
88 H1* T 8 H1' T 8 -4.662 2.646 4.909
89 H3 T 8 H3 T 8 -0.353 1.164 5.055
90 1H5M T 8 1H5M T 8 1.270 5.585 5.474
91 2H5M T 8 2H5M T 8 -0.180 6.567 5.673
92 3H5M T 8 3H5M T 8 0.489 5.680 7.061
93 H6 T 8 H6 T 8 -2.252 5.550 5.514
94 1H5* T 9 1H5' T 9 -7.640 1.277 6.025
95 2H5* T 9 2H5' T 9 -8.889 1.410 7.272
96 H4* T 9 H4' T 9 -7.467 -0.570 7.636
97 H3* T 9 H3' T 9 -7.585 1.641 9.661
98 1H2* T 9 2H2' T 9 -5.519 1.220 10.569
99 2H2* T 9 1H2' T 9 -5.798 -0.560 10.584
100 H1* T 9 H1' T 9 -4.695 -0.844 8.642
101 H3 T 9 H3 T 9 -0.510 0.908 8.224
102 1H5M T 9 1H5M T 9 -3.835 5.173 8.368
103 2H5M T 9 2H5M T 9 -2.879 5.082 9.854
104 3H5M T 9 3H5M T 9 -2.075 5.330 8.298
105 H6 T 9 H6 T 9 -4.812 3.036 8.681
106 1H5* A 10 1H5' A 10 -7.615 -2.798 11.260
107 2H5* A 10 2H5' A 10 -8.725 -2.954 12.634
108 H4* A 10 H4' A 10 -6.512 -4.125 12.875
109 H3* A 10 H3' A 10 -7.826 -2.643 14.915
110 H1* A 10 H1' A 10 -4.063 -2.836 14.243
111 H8 A 10 H8 A 10 -5.109 0.794 14.477
112 1H6 A 10 1H6 A 10 -0.024 2.057 11.085
113 2H6 A 10 2H6 A 10 -1.181 2.744 12.228
114 H2 A 10 H2 A 10 -0.701 -2.287 10.998
115 2H2* A 10 1H2' A 10 -5.435 -1.879 16.000
116 1H2* A 10 2H2' A 10 -6.357 -0.902 14.829
117 1H5* C 11 1H5' C 11 -4.459 -5.858 15.823
118 2H5* C 11 2H5' C 11 -4.363 -6.378 17.514
119 H4* C 11 H4' C 11 -2.197 -6.051 16.200
120 H3* C 11 H3' C 11 -2.518 -5.549 18.948
121 H1* C 11 H1' C 11 -0.567 -3.410 16.528
122 1H4 C 11 1H4 C 11 -3.458 2.714 16.549
123 2H4 C 11 2H4 C 11 -2.258 2.679 15.278
124 H5 C 11 H5 C 11 -4.142 0.657 17.594
125 H6 C 11 H6 C 11 -3.801 -1.749 17.783
126 2H2* C 11 1H2' C 11 -0.922 -3.328 18.902
127 1H2* C 11 2H2' C 11 -2.702 -3.231 18.706
128 H3 C 11 H3 C 11 -0.794 0.932 15.160
129 1H5* C 12 1H5' C 12 1.642 -4.715 16.803
130 2H5* C 12 2H5' C 12 2.668 -5.785 17.777
131 H4* C 12 H4' C 12 4.096 -4.121 16.933
132 H3* C 12 H3' C 12 3.725 -4.303 19.775
133 H1* C 12 H1' C 12 4.406 -1.137 17.675
134 1H4 C 12 1H4 C 12 -1.077 2.647 17.883
135 2H4 C 12 2H4 C 12 -0.036 3.474 19.069
136 H5 C 12 H5 C 12 -0.865 0.033 18.783
137 H6 C 12 H6 C 12 0.800 -1.749 18.574
138 2H2* C 12 1H2' C 12 4.526 -1.660 20.003
139 1H2* C 12 2H2' C 12 2.800 -2.185 20.042
140 H3 C 12 H3 C 12 2.132 2.882 18.292
141 1H5* C 1 1H5' C 1 6.911 3.585 -19.536
142 2H5* C 1 2H5' C 1 7.477 5.013 -18.652
143 H4* C 1 H4' C 1 5.111 5.198 -19.047
144 H3* C 1 H3' C 1 6.200 5.484 -16.477
145 H1* C 1 H1' C 1 2.912 3.860 -17.295
146 1H4 C 1 1H4 C 1 3.402 -2.765 -16.421
147 2H4 C 1 2H4 C 1 1.736 -2.236 -16.749
148 H5 C 1 H5 C 1 5.203 -1.055 -16.391
149 H6 C 1 H6 C 1 5.636 1.314 -16.719
150 2H2* C 1 1H2' C 1 4.101 4.289 -15.229
151 1H2* C 1 2H2' C 1 5.502 3.345 -15.755
152 1H5* C 2 1H5' C 2 1.582 6.277 -17.122
153 2H5* C 2 2H5' C 2 1.110 7.708 -16.193
154 H4* C 2 H4' C 2 -0.666 6.021 -16.358
155 H3* C 2 H3' C 2 0.161 7.218 -13.860
156 H1* C 2 H1' C 2 -1.254 3.773 -14.621
157 1H4 C 2 1H4 C 2 3.554 -0.649 -13.269
158 2H4 C 2 2H4 C 2 1.993 -1.463 -13.467
159 H5 C 2 H5 C 2 3.717 1.772 -13.455
160 H6 C 2 H6 C 2 2.447 3.787 -13.892
161 2H2* C 2 1H2' C 2 -0.947 4.989 -12.602
162 1H2* C 2 2H2' C 2 0.780 5.233 -12.865
163 1H5* T 3 1H5' T 3 -3.845 5.070 -14.683
164 2H5* T 3 2H5' T 3 -5.166 6.111 -14.132
165 H4* T 3 H4' T 3 -5.688 3.686 -14.228
166 H3* T 3 H3' T 3 -6.600 5.423 -12.277
167 1H2* T 3 2H2' T 3 -4.960 4.936 -10.734
168 2H2* T 3 1H2' T 3 -6.138 3.750 -10.156
169 H1* T 3 H1' T 3 -5.252 1.983 -11.457
170 H3 T 3 H3 T 3 -1.171 0.305 -10.260
171 1H5M T 3 1H5M T 3 -0.894 5.114 -8.373
172 2H5M T 3 2H5M T 3 0.529 4.579 -9.285
173 3H5M T 3 3H5M T 3 -0.668 5.629 -10.058
174 H6 T 3 H6 T 3 -2.994 4.755 -10.236
175 1H5* A 4 1H5' A 4 -7.377 0.929 -12.110
176 2H5* A 4 2H5' A 4 -9.081 0.624 -11.749
177 H4* A 4 H4' A 4 -7.749 -1.188 -10.947
178 H3* A 4 H3' A 4 -9.402 0.395 -9.106
179 H1* A 4 H1' A 4 -6.286 -1.767 -8.690
180 H8 A 4 H8 A 4 -5.724 1.783 -7.332
181 1H6 A 4 1H6 A 4 0.357 0.034 -7.342
182 2H6 A 4 2H6 A 4 -0.638 1.446 -7.011
183 H2 A 4 H2 A 4 -2.104 -3.403 -8.047
184 2H2* A 4 1H2' A 4 -7.870 -0.798 -7.085
185 1H2* A 4 2H2' A 4 -7.614 0.828 -7.713
186 1H5* T 5 1H5' T 5 -7.891 -3.703 -8.403
187 2H5* T 5 2H5' T 5 -8.957 -4.802 -7.514
188 H4* T 5 H4' T 5 -6.718 -5.067 -6.725
189 H3* T 5 H3' T 5 -8.831 -4.228 -4.907
190 1H2* T 5 2H2' T 5 -7.773 -2.187 -4.755
191 2H2* T 5 1H2' T 5 -7.000 -2.877 -3.345
192 H1* T 5 H1' T 5 -5.223 -3.871 -4.823
193 H3 T 5 H3 T 5 -1.931 -0.900 -4.389
194 1H5M T 5 1H5M T 5 -5.448 1.488 -2.003
195 2H5M T 5 2H5M T 5 -5.146 2.572 -3.381
196 3H5M T 5 3H5M T 5 -6.656 1.657 -3.308
197 H6 T 5 H6 T 5 -6.694 -0.456 -4.335
198 1H5* T 6 1H5' T 6 -4.880 -6.489 -4.230
199 2H5* T 6 2H5' T 6 -5.359 -7.838 -3.190
200 H4* T 6 H4' T 6 -2.961 -7.517 -3.200
201 H3* T 6 H3' T 6 -4.577 -7.668 -0.824
202 1H2* T 6 2H2' T 6 -3.972 -5.687 0.131
203 2H2* T 6 1H2' T 6 -2.388 -6.399 0.447
204 H1* T 6 H1' T 6 -1.366 -5.460 -1.400
205 H3 T 6 H3 T 6 -1.280 -0.890 -0.933
206 1H5M T 6 1H5M T 6 -6.522 -2.475 -1.050
207 2H5M T 6 2H5M T 6 -6.049 -1.303 0.187
208 3H5M T 6 3H5M T 6 -6.065 -0.832 -1.518
209 H6 T 6 H6 T 6 -4.866 -4.088 -1.199
210 1H5* A 7 1H5' A 7 -0.110 -8.066 -0.415
211 2H5* A 7 2H5' A 7 0.344 -9.493 0.533
212 H4* A 7 H4' A 7 1.814 -7.628 1.011
213 H3* A 7 H3' A 7 0.309 -9.004 3.088
214 H1* A 7 H1' A 7 1.534 -5.394 2.879
215 H8 A 7 H8 A 7 -2.379 -5.544 3.285
216 1H6 A 7 1H6 A 7 -2.089 0.545 1.891
217 2H6 A 7 2H6 A 7 -3.177 -0.738 2.405
218 H2 A 7 H2 A 7 2.014 -1.048 2.018
219 2H2* A 7 1H2' A 7 0.652 -6.758 4.668
220 1H2* A 7 2H2' A 7 -0.822 -7.122 3.747
221 1H5* A 8 1H5' A 8 4.487 -6.917 3.331
222 2H5* A 8 2H5' A 8 5.480 -7.860 4.453
223 H4* A 8 H4' A 8 6.247 -5.579 4.268
224 H3* A 8 H3' A 8 5.898 -6.902 6.702
225 H1* A 8 H1' A 8 4.889 -3.232 6.142
226 H8 A 8 H8 A 8 1.782 -5.631 6.349
227 1H6 A 8 1H6 A 8 -1.484 -0.419 5.269
228 2H6 A 8 2H6 A 8 -1.609 -2.141 5.611
229 H2 A 8 H2 A 8 2.825 0.617 5.330
230 2H2* A 8 1H2' A 8 4.941 -4.719 8.018
231 1H2* A 8 2H2' A 8 3.870 -5.886 7.229
232 1H5* A 9 1H5' A 9 8.120 -2.573 6.472
233 2H5* A 9 2H5' A 9 9.501 -2.781 7.562
234 H4* A 9 H4' A 9 8.855 -0.458 7.434
235 H3* A 9 H3' A 9 9.390 -1.716 9.829
236 H1* A 9 H1' A 9 6.352 0.582 9.411
237 H8 A 9 H8 A 9 5.279 -3.170 9.626
238 1H6 A 9 1H6 A 9 -0.435 -1.030 8.557
239 2H6 A 9 2H6 A 9 0.555 -2.458 8.845
240 H2 A 9 H2 A 9 2.383 2.408 8.278
241 2H2* A 9 1H2' A 9 7.292 -0.724 11.201
242 1H2* A 9 2H2' A 9 7.145 -2.234 10.304
243 1H5* T 10 1H5' T 10 8.059 2.808 9.885
244 2H5* T 10 2H5' T 10 8.935 3.705 11.134
245 H4* T 10 H4' T 10 6.650 4.527 10.746
246 H3* T 10 H3' T 10 7.694 3.913 13.374
247 1H2* T 10 2H2' T 10 6.130 2.335 13.847
248 2H2* T 10 1H2' T 10 5.070 3.700 14.198
249 H1* T 10 H1' T 10 4.160 3.764 11.990
250 H3 T 10 H3 T 10 1.086 0.403 11.511
251 1H5M T 10 1H5M T 10 5.679 -2.018 12.902
252 2H5M T 10 2H5M T 10 4.622 -2.007 14.327
253 3H5M T 10 3H5M T 10 4.145 -2.891 12.866
254 H6 T 10 H6 T 10 5.610 0.446 13.112
255 1H5* C 11 1H5' C 11 4.268 7.011 12.307
256 2H5* C 11 2H5' C 11 4.327 8.367 13.446
257 H4* C 11 H4' C 11 2.071 7.953 12.569
258 H3* C 11 H3' C 11 2.706 8.233 15.344
259 H1* C 11 H1' C 11 0.025 5.835 13.781
260 1H4 C 11 1H4 C 11 2.982 0.045 15.434
261 2H4 C 11 2H4 C 11 1.310 -0.250 14.931
262 H5 C 11 H5 C 11 3.838 2.315 15.588
263 H6 C 11 H6 C 11 3.295 4.650 15.195
264 2H2* C 11 1H2' C 11 0.322 6.849 15.867
265 1H2* C 11 2H2' C 11 1.957 6.216 16.075
266 1H5* C 12 1H5' C 12 -1.222 8.606 16.500
267 2H5* C 12 2H5' C 12 -1.424 10.176 17.294
268 H4* C 12 H4' C 12 -1.760 8.308 18.866
269 H3* C 12 H3' C 12 -0.169 10.538 19.463
270 H1* C 12 H1' C 12 0.640 7.029 20.405
271 1H4 C 12 1H4 C 12 5.604 4.564 16.691
272 2H4 C 12 2H4 C 12 4.723 3.243 17.558
273 H5 C 12 H5 C 12 4.967 6.886 17.073
274 H6 C 12 H6 C 12 3.259 8.299 18.006
275 2H2* C 12 1H2' C 12 1.738 9.113 20.768
276 1H2* C 12 2H2' C 12 1.862 9.462 19.020
Start of MODEL 10
1 1H5* C 1 1H5' C 1 -4.373 -2.650 -22.394
2 2H5* C 1 2H5' C 1 -5.249 -4.181 -22.177
3 H4* C 1 H4' C 1 -2.967 -4.523 -21.564
4 H3* C 1 H3' C 1 -5.033 -5.011 -19.646
5 H1* C 1 H1' C 1 -1.465 -3.735 -19.005
6 1H4 C 1 1H4 C 1 -1.968 2.085 -15.760
7 2H4 C 1 2H4 C 1 -0.744 2.348 -16.983
8 H5 C 1 H5 C 1 -3.882 1.115 -17.895
9 H6 C 1 H6 C 1 -4.227 -1.120 -18.839
10 2H2* C 1 1H2' C 1 -3.217 -4.562 -17.606
11 1H2* C 1 2H2' C 1 -4.368 -3.316 -18.181
12 H3 C 1 H3 C 1 -0.043 0.024 -16.723
13 1H5* C 2 1H5' C 2 -0.713 -6.337 -18.978
14 2H5* C 2 2H5' C 2 -0.732 -8.023 -18.422
15 H4* C 2 H4' C 2 1.159 -6.779 -17.518
16 H3* C 2 H3' C 2 -0.695 -8.234 -15.844
17 H1* C 2 H1' C 2 1.255 -4.969 -15.057
18 1H4 C 2 1H4 C 2 -3.374 -0.601 -13.027
19 2H4 C 2 2H4 C 2 -2.494 0.274 -14.236
20 H5 C 2 H5 C 2 -3.850 -2.824 -15.053
21 H6 C 2 H6 C 2 -2.517 -4.806 -15.580
22 2H2* C 2 1H2' C 2 0.180 -6.614 -13.744
23 1H2* C 2 2H2' C 2 -1.380 -6.421 -14.588
24 H3 C 2 H3 C 2 -0.467 -0.926 -13.555
25 1H5* A 3 1H5' A 3 3.511 -7.032 -14.503
26 2H5* A 3 2H5' A 3 4.299 -8.337 -13.611
27 H4* A 3 H4' A 3 4.846 -5.883 -13.095
28 H3* A 3 H3' A 3 4.777 -8.105 -11.223
29 H1* A 3 H1' A 3 4.003 -4.387 -10.795
30 H8 A 3 H8 A 3 0.976 -6.593 -9.915
31 1H6 A 3 1H6 A 3 -2.106 -1.291 -11.140
32 2H6 A 3 2H6 A 3 -2.332 -3.016 -10.866
33 H2 A 3 H2 A 3 2.134 -0.342 -10.453
34 2H2* A 3 1H2' A 3 4.433 -6.167 -9.257
35 1H2* A 3 2H2' A 3 3.117 -7.150 -9.853
36 1H5* T 4 1H5' T 4 6.570 -3.998 -10.725
37 2H5* T 4 2H5' T 4 8.155 -3.990 -9.938
38 H4* T 4 H4' T 4 6.897 -1.963 -9.449
39 H3* T 4 H3' T 4 7.936 -3.724 -7.359
40 1H2* T 4 2H2' T 4 5.931 -3.935 -6.297
41 2H2* T 4 1H2' T 4 6.151 -2.307 -5.690
42 H1* T 4 H1' T 4 4.933 -1.282 -7.499
43 H3 T 4 H3 T 4 0.479 -2.030 -6.722
44 1H5M T 4 1H5M T 4 2.828 -6.923 -6.974
45 2H5M T 4 2H5M T 4 2.132 -6.608 -5.373
46 3H5M T 4 3H5M T 4 1.080 -6.726 -6.793
47 H6 T 4 H6 T 4 4.220 -5.039 -6.899
48 1H5* A 5 1H5' A 5 7.255 0.771 -6.973
49 2H5* A 5 2H5' A 5 8.498 1.546 -5.975
50 H4* A 5 H4' A 5 6.306 2.624 -5.802
51 H3* A 5 H3' A 5 7.859 1.738 -3.500
52 H1* A 5 H1' A 5 4.086 2.067 -3.997
53 H8 A 5 H8 A 5 5.157 -1.708 -3.507
54 1H6 A 5 1H6 A 5 -1.004 -2.703 -4.253
55 2H6 A 5 2H6 A 5 0.468 -3.510 -3.751
56 H2 A 5 H2 A 5 -0.246 1.615 -4.307
57 2H2* A 5 1H2' A 5 5.491 1.792 -2.061
58 1H2* A 5 2H2' A 5 6.224 0.319 -2.727
59 1H5* A 6 1H5' A 6 5.059 5.460 -4.021
60 2H5* A 6 2H5' A 6 5.671 6.781 -3.017
61 H4* A 6 H4' A 6 3.282 6.935 -3.592
62 H3* A 6 H3' A 6 4.329 7.627 -1.136
63 H1* A 6 H1' A 6 1.165 5.441 -1.425
64 H8 A 6 H8 A 6 4.367 3.319 -0.529
65 1H6 A 6 1H6 A 6 0.424 -1.488 -0.873
66 2H6 A 6 2H6 A 6 2.093 -1.009 -0.581
67 H2 A 6 H2 A 6 -1.877 2.251 -1.569
68 2H2* A 6 1H2' A 6 2.396 6.447 0.317
69 1H2* A 6 2H2' A 6 3.853 5.556 -0.024
70 1H5* T 7 1H5' T 7 -0.253 7.666 -1.806
71 2H5* T 7 2H5' T 7 -1.046 9.084 -1.106
72 H4* T 7 H4' T 7 -2.416 7.023 -1.089
73 H3* T 7 H3' T 7 -2.069 8.748 1.201
74 1H2* T 7 2H2' T 7 -1.148 7.108 2.568
75 2H2* T 7 1H2' T 7 -2.767 6.531 2.752
76 H1* T 7 H1' T 7 -2.704 5.013 0.941
77 H3 T 7 H3 T 7 -0.409 1.333 2.309
78 1H5M T 7 1H5M T 7 3.549 3.939 2.815
79 2H5M T 7 2H5M T 7 2.946 5.600 2.768
80 3H5M T 7 3H5M T 7 2.768 4.628 4.246
81 H6 T 7 H6 T 7 0.593 6.002 2.436
82 1H5* T 8 1H5' T 8 -5.244 5.463 1.197
83 2H5* T 8 2H5' T 8 -6.794 5.992 1.876
84 H4* T 8 H4' T 8 -6.301 3.740 2.598
85 H3* T 8 H3' T 8 -6.728 5.881 4.514
86 1H2* T 8 2H2' T 8 -4.649 5.628 5.444
87 2H2* T 8 1H2' T 8 -5.409 4.319 6.369
88 H1* T 8 H1' T 8 -4.831 2.671 4.685
89 H3 T 8 H3 T 8 -0.514 1.282 5.137
90 1H5M T 8 1H5M T 8 -0.331 6.324 6.659
91 2H5M T 8 2H5M T 8 1.096 5.613 5.899
92 3H5M T 8 3H5M T 8 -0.063 6.520 4.917
93 H6 T 8 H6 T 8 -2.495 5.655 5.183
94 1H5* T 9 1H5' T 9 -7.605 1.264 5.535
95 2H5* T 9 2H5' T 9 -8.938 1.235 6.701
96 H4* T 9 H4' T 9 -7.345 -0.617 7.067
97 H3* T 9 H3' T 9 -7.957 1.400 9.155
98 1H2* T 9 2H2' T 9 -5.861 1.511 10.000
99 2H2* T 9 1H2' T 9 -5.893 -0.269 10.349
100 H1* T 9 H1' T 9 -4.802 -0.757 8.352
101 H3 T 9 H3 T 9 -0.546 0.902 8.462
102 1H5M T 9 1H5M T 9 -1.939 5.354 8.311
103 2H5M T 9 2H5M T 9 -3.585 5.210 7.679
104 3H5M T 9 3H5M T 9 -3.301 5.177 9.426
105 H6 T 9 H6 T 9 -4.808 3.118 8.170
106 1H5* A 10 1H5' A 10 -7.354 -3.127 10.628
107 2H5* A 10 2H5' A 10 -8.522 -3.440 11.925
108 H4* A 10 H4' A 10 -6.257 -4.396 12.313
109 H3* A 10 H3' A 10 -7.785 -3.037 14.284
110 H1* A 10 H1' A 10 -4.023 -2.947 13.837
111 H8 A 10 H8 A 10 -5.321 0.619 13.792
112 1H6 A 10 1H6 A 10 0.276 2.010 11.351
113 2H6 A 10 2H6 A 10 -1.027 2.692 12.308
114 H2 A 10 H2 A 10 -0.220 -2.374 11.351
115 2H2* A 10 1H2' A 10 -5.548 -2.026 15.481
116 1H2* A 10 2H2' A 10 -6.463 -1.152 14.224
117 1H5* C 11 1H5' C 11 -4.133 -5.938 15.307
118 2H5* C 11 2H5' C 11 -4.191 -6.516 16.980
119 H4* C 11 H4' C 11 -1.914 -6.137 15.992
120 H3* C 11 H3' C 11 -2.625 -5.457 18.656
121 H1* C 11 H1' C 11 -0.301 -3.567 16.314
122 1H4 C 11 1H4 C 11 -2.991 2.169 14.492
123 2H4 C 11 2H4 C 11 -1.553 2.684 15.283
124 H5 C 11 H5 C 11 -4.086 0.464 16.540
125 H6 C 11 H6 C 11 -3.679 -1.903 16.987
126 2H2* C 11 1H2' C 11 -0.854 -3.345 18.648
127 1H2* C 11 2H2' C 11 -2.597 -3.156 18.293
128 H3 C 11 H3 C 11 -0.293 0.811 14.880
129 1H5* C 12 1H5' C 12 1.752 -4.808 17.113
130 2H5* C 12 2H5' C 12 2.659 -5.822 18.252
131 H4* C 12 H4' C 12 4.148 -4.136 17.556
132 H3* C 12 H3' C 12 3.382 -4.239 20.334
133 H1* C 12 H1' C 12 4.388 -1.237 18.216
134 1H4 C 12 1H4 C 12 -1.054 2.844 18.203
135 2H4 C 12 2H4 C 12 0.187 3.697 19.176
136 H5 C 12 H5 C 12 -0.866 0.404 18.408
137 H6 C 12 H6 C 12 0.643 -1.524 18.400
138 2H2* C 12 1H2' C 12 4.099 -1.582 20.583
139 1H2* C 12 2H2' C 12 2.390 -2.118 20.343
140 H3 C 12 H3 C 12 2.416 2.954 18.627
141 1H5* C 1 1H5' C 1 6.828 3.618 -19.670
142 2H5* C 1 2H5' C 1 7.411 5.090 -18.872
143 H4* C 1 H4' C 1 5.042 5.268 -19.247
144 H3* C 1 H3' C 1 6.165 5.668 -16.700
145 H1* C 1 H1' C 1 2.852 4.061 -17.424
146 1H4 C 1 1H4 C 1 3.206 -2.522 -16.218
147 2H4 C 1 2H4 C 1 1.561 -1.977 -16.611
148 H5 C 1 H5 C 1 5.043 -0.843 -16.245
149 H6 C 1 H6 C 1 5.524 1.500 -16.676
150 2H2* C 1 1H2' C 1 4.047 4.575 -15.384
151 1H2* C 1 2H2' C 1 5.436 3.585 -15.861
152 1H5* C 2 1H5' C 2 1.591 6.472 -17.372
153 2H5* C 2 2H5' C 2 1.082 7.929 -16.503
154 H4* C 2 H4' C 2 -0.638 6.170 -16.625
155 H3* C 2 H3' C 2 0.070 7.553 -14.195
156 H1* C 2 H1' C 2 -1.230 4.069 -14.764
157 1H4 C 2 1H4 C 2 3.478 -0.360 -13.157
158 2H4 C 2 2H4 C 2 1.903 -1.155 -13.334
159 H5 C 2 H5 C 2 3.679 2.048 -13.395
160 H6 C 2 H6 C 2 2.459 4.059 -13.958
161 2H2* C 2 1H2' C 2 -0.902 5.383 -12.781
162 1H2* C 2 2H2' C 2 0.813 5.640 -13.114
163 1H5* T 3 1H5' T 3 -3.729 5.085 -14.945
164 2H5* T 3 2H5' T 3 -5.158 6.008 -14.458
165 H4* T 3 H4' T 3 -5.426 3.547 -14.413
166 H3* T 3 H3' T 3 -6.414 5.317 -12.458
167 1H2* T 3 2H2' T 3 -4.821 4.792 -10.883
168 2H2* T 3 1H2' T 3 -5.976 3.542 -10.403
169 H1* T 3 H1' T 3 -4.997 1.890 -11.835
170 H3 T 3 H3 T 3 -1.086 0.166 -10.225
171 1H5M T 3 1H5M T 3 -0.401 5.438 -10.101
172 2H5M T 3 2H5M T 3 -0.944 5.070 -8.451
173 3H5M T 3 3H5M T 3 0.580 4.398 -9.056
174 H6 T 3 H6 T 3 -2.823 4.646 -10.413
175 1H5* A 4 1H5' A 4 -7.093 0.817 -12.428
176 2H5* A 4 2H5' A 4 -8.806 0.468 -12.156
177 H4* A 4 H4' A 4 -7.468 -1.338 -11.342
178 H3* A 4 H3' A 4 -9.264 0.144 -9.557
179 H1* A 4 H1' A 4 -6.132 -1.946 -9.016
180 H8 A 4 H8 A 4 -5.672 1.590 -7.576
181 1H6 A 4 1H6 A 4 0.408 -0.182 -7.290
182 2H6 A 4 2H6 A 4 -0.582 1.247 -7.037
183 H2 A 4 H2 A 4 -2.035 -3.597 -8.103
184 2H2* A 4 1H2' A 4 -7.814 -1.027 -7.473
185 1H2* A 4 2H2' A 4 -7.550 0.611 -8.072
186 1H5* T 5 1H5' T 5 -7.655 -3.934 -8.850
187 2H5* T 5 2H5' T 5 -8.741 -5.074 -8.041
188 H4* T 5 H4' T 5 -6.551 -5.303 -7.121
189 H3* T 5 H3' T 5 -8.784 -4.533 -5.421
190 1H2* T 5 2H2' T 5 -7.779 -2.465 -5.188
191 2H2* T 5 1H2' T 5 -7.082 -3.160 -3.739
192 H1* T 5 H1' T 5 -5.200 -4.110 -5.120
193 H3 T 5 H3 T 5 -1.988 -1.107 -4.427
194 1H5M T 5 1H5M T 5 -5.687 1.191 -2.244
195 2H5M T 5 2H5M T 5 -5.309 2.305 -3.578
196 3H5M T 5 3H5M T 5 -6.808 1.370 -3.621
197 H6 T 5 H6 T 5 -6.749 -0.723 -4.686
198 1H5* T 6 1H5' T 6 -4.786 -6.567 -4.482
199 2H5* T 6 2H5' T 6 -5.248 -7.950 -3.480
200 H4* T 6 H4' T 6 -2.880 -7.470 -3.303
201 H3* T 6 H3' T 6 -4.679 -7.700 -1.049
202 1H2* T 6 2H2' T 6 -4.214 -5.685 -0.089
203 2H2* T 6 1H2' T 6 -2.640 -6.347 0.367
204 H1* T 6 H1' T 6 -1.510 -5.439 -1.461
205 H3 T 6 H3 T 6 -1.413 -0.888 -0.836
206 1H5M T 6 1H5M T 6 -6.109 -0.634 -0.550
207 2H5M T 6 2H5M T 6 -6.385 -1.562 -2.034
208 3H5M T 6 3H5M T 6 -6.572 -2.336 -0.455
209 H6 T 6 H6 T 6 -5.005 -4.034 -1.446
210 1H5* A 7 1H5' A 7 -0.209 -8.008 -0.450
211 2H5* A 7 2H5' A 7 0.228 -9.423 0.525
212 H4* A 7 H4' A 7 1.690 -7.537 0.980
213 H3* A 7 H3' A 7 0.209 -8.919 3.067
214 H1* A 7 H1' A 7 1.401 -5.304 2.837
215 H8 A 7 H8 A 7 -2.518 -5.480 3.195
216 1H6 A 7 1H6 A 7 -2.229 0.618 1.858
217 2H6 A 7 2H6 A 7 -3.325 -0.673 2.330
218 H2 A 7 H2 A 7 1.879 -0.939 2.124
219 2H2* A 7 1H2' A 7 0.513 -6.660 4.636
220 1H2* A 7 2H2' A 7 -0.951 -7.042 3.707
221 1H5* A 8 1H5' A 8 4.351 -6.710 3.312
222 2H5* A 8 2H5' A 8 5.350 -7.683 4.402
223 H4* A 8 H4' A 8 6.143 -5.418 4.291
224 H3* A 8 H3' A 8 5.733 -6.786 6.691
225 H1* A 8 H1' A 8 4.758 -3.075 6.187
226 H8 A 8 H8 A 8 1.673 -5.512 6.284
227 1H6 A 8 1H6 A 8 -1.633 -0.316 5.251
228 2H6 A 8 2H6 A 8 -1.743 -2.044 5.570
229 H2 A 8 H2 A 8 2.668 0.768 5.424
230 2H2* A 8 1H2' A 8 4.826 -4.587 8.031
231 1H2* A 8 2H2' A 8 3.736 -5.737 7.243
232 1H5* A 9 1H5' A 9 8.134 -2.506 6.689
233 2H5* A 9 2H5' A 9 9.448 -2.789 7.842
234 H4* A 9 H4' A 9 8.807 -0.446 7.770
235 H3* A 9 H3' A 9 9.274 -1.800 10.125
236 H1* A 9 H1' A 9 6.253 0.498 9.727
237 H8 A 9 H8 A 9 5.134 -3.240 9.867
238 1H6 A 9 1H6 A 9 -0.509 -1.056 8.526
239 2H6 A 9 2H6 A 9 0.457 -2.486 8.877
240 H2 A 9 H2 A 9 2.368 2.348 8.298
241 2H2* A 9 1H2' A 9 7.127 -0.925 11.481
242 1H2* A 9 2H2' A 9 7.030 -2.362 10.480
243 1H5* T 10 1H5' T 10 8.449 3.042 10.349
244 2H5* T 10 2H5' T 10 9.191 3.651 11.835
245 H4* T 10 H4' T 10 7.118 4.867 11.160
246 H3* T 10 H3' T 10 7.507 3.681 13.836
247 1H2* T 10 2H2' T 10 5.396 2.985 14.180
248 2H2* T 10 1H2' T 10 4.700 4.539 13.708
249 H1* T 10 H1' T 10 4.195 4.017 11.631
250 H3 T 10 H3 T 10 1.403 0.414 11.782
251 1H5M T 10 1H5M T 10 6.275 -1.188 13.712
252 2H5M T 10 2H5M T 10 4.785 -1.804 14.452
253 3H5M T 10 3H5M T 10 5.265 -2.345 12.835
254 H6 T 10 H6 T 10 5.981 1.068 13.075
255 1H5* C 11 1H5' C 11 4.828 7.244 12.965
256 2H5* C 11 2H5' C 11 4.806 8.532 14.182
257 H4* C 11 H4' C 11 2.601 8.098 13.116
258 H3* C 11 H3' C 11 3.037 8.368 15.918
259 H1* C 11 H1' C 11 0.550 5.925 14.200
260 1H4 C 11 1H4 C 11 3.443 0.087 15.770
261 2H4 C 11 2H4 C 11 1.829 -0.225 15.119
262 H5 C 11 H5 C 11 4.239 2.338 16.130
263 H6 C 11 H6 C 11 3.716 4.672 15.826
264 2H2* C 11 1H2' C 11 0.760 6.830 16.351
265 1H2* C 11 2H2' C 11 2.424 6.274 16.555
266 1H5* C 12 1H5' C 12 -0.857 8.604 16.964
267 2H5* C 12 2H5' C 12 -1.128 10.163 17.760
268 H4* C 12 H4' C 12 -1.335 8.306 19.351
269 H3* C 12 H3' C 12 0.264 10.571 19.878
270 H1* C 12 H1' C 12 0.995 7.072 20.855
271 1H4 C 12 1H4 C 12 5.932 4.404 17.278
272 2H4 C 12 2H4 C 12 5.000 3.139 18.169
273 H5 C 12 H5 C 12 5.454 6.772 17.723
274 H6 C 12 H6 C 12 3.751 8.244 18.573
275 2H2* C 12 1H2' C 12 2.168 9.148 21.190
276 1H2* C 12 2H2' C 12 2.276 9.456 19.430
Start of MODEL 11
1 1H5* C 1 1H5' C 1 -4.484 -2.959 -22.536
2 2H5* C 1 2H5' C 1 -5.313 -4.523 -22.363
3 H4* C 1 H4' C 1 -3.007 -4.818 -21.798
4 H3* C 1 H3' C 1 -5.032 -5.440 -19.876
5 H1* C 1 H1' C 1 -1.497 -4.119 -19.256
6 1H4 C 1 1H4 C 1 -1.978 1.452 -15.607
7 2H4 C 1 2H4 C 1 -0.782 1.821 -16.833
8 H5 C 1 H5 C 1 -3.934 0.621 -17.762
9 H6 C 1 H6 C 1 -4.277 -1.541 -18.866
10 2H2* C 1 1H2' C 1 -3.209 -5.018 -17.841
11 1H2* C 1 2H2' C 1 -4.392 -3.777 -18.362
12 H3 C 1 H3 C 1 -0.049 -0.496 -16.787
13 1H5* C 2 1H5' C 2 -0.669 -6.716 -19.227
14 2H5* C 2 2H5' C 2 -0.659 -8.401 -18.667
15 H4* C 2 H4' C 2 1.175 -7.093 -17.731
16 H3* C 2 H3' C 2 -0.616 -8.641 -16.087
17 H1* C 2 H1' C 2 1.193 -5.348 -15.254
18 1H4 C 2 1H4 C 2 -3.814 -0.820 -14.708
19 2H4 C 2 2H4 C 2 -2.465 -0.192 -13.774
20 H5 C 2 H5 C 2 -3.901 -3.197 -15.266
21 H6 C 2 H6 C 2 -2.570 -5.167 -15.807
22 2H2* C 2 1H2' C 2 0.038 -6.993 -13.959
23 1H2* C 2 2H2' C 2 -1.458 -6.821 -14.915
24 H3 C 2 H3 C 2 -0.523 -1.333 -13.696
25 1H5* A 3 1H5' A 3 3.314 -6.956 -14.701
26 2H5* A 3 2H5' A 3 4.284 -8.187 -13.882
27 H4* A 3 H4' A 3 4.644 -5.755 -13.296
28 H3* A 3 H3' A 3 4.639 -7.993 -11.417
29 H1* A 3 H1' A 3 3.806 -4.291 -11.072
30 H8 A 3 H8 A 3 0.791 -6.489 -10.151
31 1H6 A 3 1H6 A 3 -2.283 -1.119 -11.006
32 2H6 A 3 2H6 A 3 -2.488 -2.855 -10.819
33 H2 A 3 H2 A 3 2.021 -0.236 -10.499
34 2H2* A 3 1H2' A 3 4.281 -6.019 -9.483
35 1H2* A 3 2H2' A 3 2.974 -7.036 -10.039
36 1H5* T 4 1H5' T 4 6.353 -3.840 -10.979
37 2H5* T 4 2H5' T 4 7.967 -3.821 -10.255
38 H4* T 4 H4' T 4 6.744 -1.791 -9.729
39 H3* T 4 H3' T 4 7.832 -3.552 -7.666
40 1H2* T 4 2H2' T 4 5.852 -3.762 -6.558
41 2H2* T 4 1H2' T 4 6.098 -2.140 -5.944
42 H1* T 4 H1' T 4 4.838 -1.095 -7.716
43 H3 T 4 H3 T 4 0.424 -1.817 -6.700
44 1H5M T 4 1H5M T 4 2.663 -6.724 -7.211
45 2H5M T 4 2H5M T 4 2.198 -6.429 -5.524
46 3H5M T 4 3H5M T 4 0.958 -6.511 -6.788
47 H6 T 4 H6 T 4 4.121 -4.853 -7.153
48 1H5* A 5 1H5' A 5 7.188 0.951 -7.273
49 2H5* A 5 2H5' A 5 8.485 1.711 -6.335
50 H4* A 5 H4' A 5 6.325 2.833 -6.073
51 H3* A 5 H3' A 5 7.965 1.933 -3.842
52 H1* A 5 H1' A 5 4.171 2.294 -4.149
53 H8 A 5 H8 A 5 5.248 -1.489 -3.722
54 1H6 A 5 1H6 A 5 -0.947 -2.457 -4.194
55 2H6 A 5 2H6 A 5 0.543 -3.271 -3.767
56 H2 A 5 H2 A 5 -0.170 1.857 -4.293
57 2H2* A 5 1H2' A 5 5.672 1.998 -2.289
58 1H2* A 5 2H2' A 5 6.357 0.523 -2.999
59 1H5* A 6 1H5' A 6 5.165 5.666 -4.218
60 2H5* A 6 2H5' A 6 5.837 6.983 -3.245
61 H4* A 6 H4' A 6 3.427 7.161 -3.694
62 H3* A 6 H3' A 6 4.606 7.818 -1.286
63 H1* A 6 H1' A 6 1.397 5.673 -1.440
64 H8 A 6 H8 A 6 4.622 3.525 -0.711
65 1H6 A 6 1H6 A 6 0.639 -1.258 -0.887
66 2H6 A 6 2H6 A 6 2.323 -0.788 -0.668
67 H2 A 6 H2 A 6 -1.668 2.495 -1.476
68 2H2* A 6 1H2' A 6 2.713 6.662 0.246
69 1H2* A 6 2H2' A 6 4.147 5.755 -0.160
70 1H5* T 7 1H5' T 7 0.009 7.923 -1.733
71 2H5* T 7 2H5' T 7 -0.732 9.347 -0.990
72 H4* T 7 H4' T 7 -2.128 7.308 -0.909
73 H3* T 7 H3' T 7 -1.610 9.004 1.380
74 1H2* T 7 2H2' T 7 -0.694 7.327 2.695
75 2H2* T 7 1H2' T 7 -2.315 6.773 2.922
76 H1* T 7 H1' T 7 -2.343 5.282 1.101
77 H3 T 7 H3 T 7 -0.035 1.549 2.297
78 1H5M T 7 1H5M T 7 3.973 4.099 2.675
79 2H5M T 7 2H5M T 7 3.391 5.768 2.682
80 3H5M T 7 3H5M T 7 3.267 4.773 4.150
81 H6 T 7 H6 T 7 1.027 6.206 2.468
82 1H5* T 8 1H5' T 8 -4.918 5.850 1.490
83 2H5* T 8 2H5' T 8 -6.405 6.430 2.260
84 H4* T 8 H4' T 8 -5.958 4.144 2.924
85 H3* T 8 H3' T 8 -6.185 6.280 4.890
86 1H2* T 8 2H2' T 8 -4.114 5.893 5.769
87 2H2* T 8 1H2' T 8 -4.889 4.555 6.635
88 H1* T 8 H1' T 8 -4.405 2.979 4.888
89 H3 T 8 H3 T 8 -0.097 1.500 5.096
90 1H5M T 8 1H5M T 8 0.370 6.384 6.819
91 2H5M T 8 2H5M T 8 1.635 5.807 5.729
92 3H5M T 8 3H5M T 8 0.322 6.807 5.094
93 H6 T 8 H6 T 8 -1.991 5.906 5.352
94 1H5* T 9 1H5' T 9 -7.480 1.681 5.995
95 2H5* T 9 2H5' T 9 -8.680 1.846 7.285
96 H4* T 9 H4' T 9 -7.321 -0.187 7.583
97 H3* T 9 H3' T 9 -7.289 2.005 9.630
98 1H2* T 9 2H2' T 9 -5.207 1.544 10.419
99 2H2* T 9 1H2' T 9 -5.531 -0.236 10.482
100 H1* T 9 H1' T 9 -4.501 -0.552 8.484
101 H3 T 9 H3 T 9 -0.274 1.144 8.238
102 1H5M T 9 1H5M T 9 -3.578 5.453 8.309
103 2H5M T 9 2H5M T 9 -2.582 5.340 9.766
104 3H5M T 9 3H5M T 9 -1.818 5.594 8.190
105 H6 T 9 H6 T 9 -4.564 3.323 8.503
106 1H5* A 10 1H5' A 10 -7.778 -2.612 10.961
107 2H5* A 10 2H5' A 10 -8.830 -2.664 12.385
108 H4* A 10 H4' A 10 -6.912 -4.319 12.293
109 H3* A 10 H3' A 10 -7.949 -3.223 14.580
110 H1* A 10 H1' A 10 -4.135 -3.100 13.933
111 H8 A 10 H8 A 10 -5.585 0.395 14.128
112 1H6 A 10 1H6 A 10 -0.202 2.067 11.355
113 2H6 A 10 2H6 A 10 -1.459 2.671 12.426
114 H2 A 10 H2 A 10 -0.716 -2.257 10.934
115 2H2* A 10 1H2' A 10 -5.594 -2.448 15.688
116 1H2* A 10 2H2' A 10 -6.558 -1.395 14.636
117 1H5* C 11 1H5' C 11 -4.268 -6.281 15.024
118 2H5* C 11 2H5' C 11 -4.227 -7.022 16.632
119 H4* C 11 H4' C 11 -2.010 -6.502 15.564
120 H3* C 11 H3' C 11 -2.536 -6.158 18.311
121 H1* C 11 H1' C 11 -0.476 -3.879 16.132
122 1H4 C 11 1H4 C 11 -3.411 1.872 14.832
123 2H4 C 11 2H4 C 11 -1.937 2.344 15.541
124 H5 C 11 H5 C 11 -4.311 0.026 16.938
125 H6 C 11 H6 C 11 -3.824 -2.350 17.214
126 2H2* C 11 1H2' C 11 -0.991 -3.902 18.485
127 1H2* C 11 2H2' C 11 -2.757 -3.828 18.170
128 H3 C 11 H3 C 11 -0.749 0.523 14.876
129 1H5* C 12 1H5' C 12 1.707 -5.033 16.540
130 2H5* C 12 2H5' C 12 2.736 -6.086 17.528
131 H4* C 12 H4' C 12 4.092 -4.273 16.894
132 H3* C 12 H3' C 12 3.520 -4.652 19.691
133 H1* C 12 H1' C 12 4.197 -1.391 17.799
134 1H4 C 12 1H4 C 12 -1.412 2.314 18.007
135 2H4 C 12 2H4 C 12 -0.335 3.129 19.185
136 H5 C 12 H5 C 12 -1.153 -0.294 18.527
137 H6 C 12 H6 C 12 0.527 -2.057 18.289
138 2H2* C 12 1H2' C 12 4.109 -1.985 20.129
139 1H2* C 12 2H2' C 12 2.422 -2.607 19.962
140 H3 C 12 H3 C 12 1.871 2.572 18.567
141 1H5* C 1 1H5' C 1 6.661 3.107 -19.887
142 2H5* C 1 2H5' C 1 7.303 4.557 -19.094
143 H4* C 1 H4' C 1 4.928 4.790 -19.351
144 H3* C 1 H3' C 1 6.154 5.103 -16.844
145 H1* C 1 H1' C 1 2.791 3.528 -17.455
146 1H4 C 1 1H4 C 1 3.239 -3.091 -16.575
147 2H4 C 1 2H4 C 1 1.567 -2.529 -16.804
148 H5 C 1 H5 C 1 5.063 -1.408 -16.622
149 H6 C 1 H6 C 1 5.509 0.951 -17.003
150 2H2* C 1 1H2' C 1 4.093 3.979 -15.465
151 1H2* C 1 2H2' C 1 5.448 2.996 -16.041
152 1H5* C 2 1H5' C 2 1.541 5.983 -17.309
153 2H5* C 2 2H5' C 2 1.139 7.451 -16.405
154 H4* C 2 H4' C 2 -0.684 5.813 -16.471
155 H3* C 2 H3' C 2 0.253 7.062 -14.039
156 H1* C 2 H1' C 2 -1.272 3.620 -14.632
157 1H4 C 2 1H4 C 2 3.521 -0.833 -13.332
158 2H4 C 2 2H4 C 2 1.938 -1.627 -13.443
159 H5 C 2 H5 C 2 3.711 1.576 -13.616
160 H6 C 2 H6 C 2 2.454 3.600 -14.052
161 2H2* C 2 1H2' C 2 -0.879 4.909 -12.678
162 1H2* C 2 2H2' C 2 0.845 5.096 -12.994
163 1H5* T 3 1H5' T 3 -3.824 5.032 -14.711
164 2H5* T 3 2H5' T 3 -5.113 6.111 -14.157
165 H4* T 3 H4' T 3 -5.668 3.688 -14.198
166 H3* T 3 H3' T 3 -6.543 5.485 -12.283
167 1H2* T 3 2H2' T 3 -4.903 5.014 -10.731
168 2H2* T 3 1H2' T 3 -6.092 3.851 -10.128
169 H1* T 3 H1' T 3 -5.225 2.051 -11.382
170 H3 T 3 H3 T 3 -1.172 0.358 -10.151
171 1H5M T 3 1H5M T 3 -0.770 5.219 -8.442
172 2H5M T 3 2H5M T 3 0.618 4.651 -9.388
173 3H5M T 3 3H5M T 3 -0.594 5.694 -10.145
174 H6 T 3 H6 T 3 -2.914 4.842 -10.295
175 1H5* A 4 1H5' A 4 -7.389 1.015 -12.078
176 2H5* A 4 2H5' A 4 -9.092 0.721 -11.705
177 H4* A 4 H4' A 4 -7.742 -1.099 -10.932
178 H3* A 4 H3' A 4 -9.420 0.441 -9.081
179 H1* A 4 H1' A 4 -6.296 -1.697 -8.676
180 H8 A 4 H8 A 4 -5.726 1.843 -7.288
181 1H6 A 4 1H6 A 4 0.344 0.040 -7.321
182 2H6 A 4 2H6 A 4 -0.626 1.472 -7.010
183 H2 A 4 H2 A 4 -2.151 -3.369 -7.987
184 2H2* A 4 1H2' A 4 -7.886 -0.741 -7.060
185 1H2* A 4 2H2' A 4 -7.631 0.888 -7.685
186 1H5* T 5 1H5' T 5 -7.852 -3.665 -8.426
187 2H5* T 5 2H5' T 5 -8.911 -4.782 -7.548
188 H4* T 5 H4' T 5 -6.673 -5.042 -6.755
189 H3* T 5 H3' T 5 -8.795 -4.240 -4.938
190 1H2* T 5 2H2' T 5 -7.759 -2.183 -4.773
191 2H2* T 5 1H2' T 5 -6.990 -2.875 -3.360
192 H1* T 5 H1' T 5 -5.193 -3.849 -4.835
193 H3 T 5 H3 T 5 -1.929 -0.857 -4.333
194 1H5M T 5 1H5M T 5 -5.521 1.447 -1.960
195 2H5M T 5 2H5M T 5 -5.170 2.570 -3.294
196 3H5M T 5 3H5M T 5 -6.683 1.657 -3.298
197 H6 T 5 H6 T 5 -6.694 -0.451 -4.336
198 1H5* T 6 1H5' T 6 -4.772 -6.309 -4.206
199 2H5* T 6 2H5' T 6 -5.195 -7.686 -3.177
200 H4* T 6 H4' T 6 -2.814 -7.230 -3.133
201 H3* T 6 H3' T 6 -4.482 -7.450 -0.785
202 1H2* T 6 2H2' T 6 -3.961 -5.436 0.147
203 2H2* T 6 1H2' T 6 -2.369 -6.105 0.522
204 H1* T 6 H1' T 6 -1.330 -5.202 -1.362
205 H3 T 6 H3 T 6 -1.188 -0.649 -0.776
206 1H5M T 6 1H5M T 6 -6.321 -2.074 -0.106
207 2H5M T 6 2H5M T 6 -5.860 -0.375 -0.247
208 3H5M T 6 3H5M T 6 -6.218 -1.319 -1.702
209 H6 T 6 H6 T 6 -4.816 -3.787 -1.167
210 1H5* A 7 1H5' A 7 0.022 -7.772 -0.374
211 2H5* A 7 2H5' A 7 0.483 -9.195 0.577
212 H4* A 7 H4' A 7 1.968 -7.325 1.010
213 H3* A 7 H3' A 7 0.528 -8.701 3.124
214 H1* A 7 H1' A 7 1.734 -5.093 2.884
215 H8 A 7 H8 A 7 -2.173 -5.238 3.353
216 1H6 A 7 1H6 A 7 -1.882 0.849 1.960
217 2H6 A 7 2H6 A 7 -2.970 -0.427 2.492
218 H2 A 7 H2 A 7 2.217 -0.751 2.050
219 2H2* A 7 1H2' A 7 0.876 -6.451 4.695
220 1H2* A 7 2H2' A 7 -0.609 -6.822 3.796
221 1H5* A 8 1H5' A 8 4.717 -6.537 3.336
222 2H5* A 8 2H5' A 8 5.710 -7.508 4.434
223 H4* A 8 H4' A 8 6.500 -5.237 4.312
224 H3* A 8 H3' A 8 6.110 -6.601 6.715
225 H1* A 8 H1' A 8 5.128 -2.907 6.214
226 H8 A 8 H8 A 8 2.015 -5.303 6.367
227 1H6 A 8 1H6 A 8 -1.233 -0.070 5.331
228 2H6 A 8 2H6 A 8 -1.365 -1.789 5.682
229 H2 A 8 H2 A 8 3.082 0.945 5.364
230 2H2* A 8 1H2' A 8 5.169 -4.426 8.060
231 1H2* A 8 2H2' A 8 4.092 -5.574 7.251
232 1H5* A 9 1H5' A 9 8.459 -2.293 6.666
233 2H5* A 9 2H5' A 9 9.766 -2.533 7.836
234 H4* A 9 H4' A 9 9.094 -0.201 7.701
235 H3* A 9 H3' A 9 9.588 -1.463 10.091
236 H1* A 9 H1' A 9 6.533 0.756 9.627
237 H8 A 9 H8 A 9 5.442 -2.990 9.776
238 1H6 A 9 1H6 A 9 -0.239 -0.791 8.622
239 2H6 A 9 2H6 A 9 0.731 -2.226 8.943
240 H2 A 9 H2 A 9 2.629 2.617 8.374
241 2H2* A 9 1H2' A 9 7.411 -0.608 11.419
242 1H2* A 9 2H2' A 9 7.331 -2.082 10.455
243 1H5* T 10 1H5' T 10 7.977 2.998 10.197
244 2H5* T 10 2H5' T 10 8.798 3.896 11.483
245 H4* T 10 H4' T 10 6.502 4.658 11.122
246 H3* T 10 H3' T 10 7.501 3.881 13.741
247 1H2* T 10 2H2' T 10 5.912 2.295 14.082
248 2H2* T 10 1H2' T 10 4.840 3.642 14.447
249 H1* T 10 H1' T 10 4.013 3.807 12.209
250 H3 T 10 H3 T 10 0.936 0.463 11.637
251 1H5M T 10 1H5M T 10 5.607 -1.915 13.096
252 2H5M T 10 2H5M T 10 4.263 -2.228 14.214
253 3H5M T 10 3H5M T 10 4.205 -2.844 12.554
254 H6 T 10 H6 T 10 5.484 0.461 13.159
255 1H5* C 11 1H5' C 11 4.124 6.991 12.748
256 2H5* C 11 2H5' C 11 4.154 8.316 13.924
257 H4* C 11 H4' C 11 1.924 7.933 12.960
258 H3* C 11 H3' C 11 2.458 8.206 15.734
259 H1* C 11 H1' C 11 -0.127 5.749 14.138
260 1H4 C 11 1H4 C 11 2.958 -0.024 15.563
261 2H4 C 11 2H4 C 11 1.331 -0.379 14.976
262 H5 C 11 H5 C 11 3.709 2.234 15.914
263 H6 C 11 H6 C 11 3.129 4.565 15.619
264 2H2* C 11 1H2' C 11 0.163 6.694 16.248
265 1H2* C 11 2H2' C 11 1.825 6.126 16.416
266 1H5* C 12 1H5' C 12 -1.539 8.234 16.829
267 2H5* C 12 2H5' C 12 -1.851 9.751 17.686
268 H4* C 12 H4' C 12 -2.095 7.813 19.177
269 H3* C 12 H3' C 12 -0.605 10.094 19.875
270 H1* C 12 H1' C 12 0.264 6.589 20.727
271 1H4 C 12 1H4 C 12 5.390 4.335 17.115
272 2H4 C 12 2H4 C 12 4.512 2.972 17.922
273 H5 C 12 H5 C 12 4.749 6.632 17.610
274 H6 C 12 H6 C 12 2.982 7.987 18.524
275 2H2* C 12 1H2' C 12 1.315 8.694 21.183
276 1H2* C 12 2H2' C 12 1.468 9.090 19.446
Start of MODEL 12
1 1H5* C 1 1H5' C 1 -4.603 -2.291 -22.372
2 2H5* C 1 2H5' C 1 -5.450 -3.843 -22.194
3 H4* C 1 H4' C 1 -3.147 -4.171 -21.646
4 H3* C 1 H3' C 1 -5.164 -4.760 -19.703
5 H1* C 1 H1' C 1 -1.598 -3.461 -19.099
6 1H4 C 1 1H4 C 1 -2.100 2.196 -15.579
7 2H4 C 1 2H4 C 1 -0.921 2.540 -16.826
8 H5 C 1 H5 C 1 -4.056 1.298 -17.716
9 H6 C 1 H6 C 1 -4.392 -0.895 -18.755
10 2H2* C 1 1H2' C 1 -3.302 -4.371 -17.691
11 1H2* C 1 2H2' C 1 -4.485 -3.120 -18.185
12 H3 C 1 H3 C 1 -0.176 0.215 -16.684
13 1H5* C 2 1H5' C 2 -0.815 -6.104 -19.168
14 2H5* C 2 2H5' C 2 -0.824 -7.804 -18.655
15 H4* C 2 H4' C 2 1.077 -6.574 -17.745
16 H3* C 2 H3' C 2 -0.748 -8.080 -16.083
17 H1* C 2 H1' C 2 1.210 -4.829 -15.247
18 1H4 C 2 1H4 C 2 -3.431 -0.586 -12.976
19 2H4 C 2 2H4 C 2 -2.549 0.353 -14.137
20 H5 C 2 H5 C 2 -3.908 -2.727 -15.055
21 H6 C 2 H6 C 2 -2.572 -4.677 -15.683
22 2H2* C 2 1H2' C 2 0.176 -6.515 -13.956
23 1H2* C 2 2H2' C 2 -1.406 -6.309 -14.756
24 H3 C 2 H3 C 2 -0.505 -0.853 -13.572
25 1H5* A 3 1H5' A 3 3.469 -6.908 -14.755
26 2H5* A 3 2H5' A 3 4.272 -8.240 -13.917
27 H4* A 3 H4' A 3 4.817 -5.806 -13.318
28 H3* A 3 H3' A 3 4.749 -8.089 -11.515
29 H1* A 3 H1' A 3 3.989 -4.375 -10.981
30 H8 A 3 H8 A 3 0.983 -6.618 -10.127
31 1H6 A 3 1H6 A 3 -2.151 -1.305 -11.127
32 2H6 A 3 2H6 A 3 -2.356 -3.038 -10.894
33 H2 A 3 H2 A 3 2.102 -0.347 -10.513
34 2H2* A 3 1H2' A 3 4.448 -6.186 -9.497
35 1H2* A 3 2H2' A 3 3.124 -7.161 -10.088
36 1H5* T 4 1H5' T 4 6.571 -4.020 -10.943
37 2H5* T 4 2H5' T 4 8.169 -4.033 -10.185
38 H4* T 4 H4' T 4 6.926 -2.010 -9.639
39 H3* T 4 H3' T 4 7.995 -3.811 -7.599
40 1H2* T 4 2H2' T 4 6.008 -4.032 -6.506
41 2H2* T 4 1H2' T 4 6.244 -2.414 -5.876
42 H1* T 4 H1' T 4 4.997 -1.356 -7.648
43 H3 T 4 H3 T 4 0.562 -2.104 -6.766
44 1H5M T 4 1H5M T 4 2.849 -6.998 -7.199
45 2H5M T 4 2H5M T 4 2.315 -6.708 -5.533
46 3H5M T 4 3H5M T 4 1.128 -6.796 -6.845
47 H6 T 4 H6 T 4 4.284 -5.122 -7.105
48 1H5* A 5 1H5' A 5 7.359 0.688 -7.129
49 2H5* A 5 2H5' A 5 8.636 1.430 -6.150
50 H4* A 5 H4' A 5 6.465 2.538 -5.909
51 H3* A 5 H3' A 5 8.064 1.599 -3.663
52 H1* A 5 H1' A 5 4.277 1.965 -4.043
53 H8 A 5 H8 A 5 5.350 -1.821 -3.642
54 1H6 A 5 1H6 A 5 -0.833 -2.797 -4.244
55 2H6 A 5 2H6 A 5 0.654 -3.610 -3.796
56 H2 A 5 H2 A 5 -0.061 1.523 -4.300
57 2H2* A 5 1H2' A 5 5.737 1.643 -2.158
58 1H2* A 5 2H2' A 5 6.441 0.178 -2.874
59 1H5* A 6 1H5' A 6 5.296 5.361 -4.045
60 2H5* A 6 2H5' A 6 5.937 6.653 -3.023
61 H4* A 6 H4' A 6 3.542 6.842 -3.545
62 H3* A 6 H3' A 6 4.646 7.439 -1.083
63 H1* A 6 H1' A 6 1.433 5.310 -1.402
64 H8 A 6 H8 A 6 4.636 3.153 -0.604
65 1H6 A 6 1H6 A 6 0.658 -1.626 -0.904
66 2H6 A 6 2H6 A 6 2.334 -1.156 -0.636
67 H2 A 6 H2 A 6 -1.632 2.130 -1.547
68 2H2* A 6 1H2' A 6 2.675 6.267 0.347
69 1H2* A 6 2H2' A 6 4.127 5.370 -0.008
70 1H5* T 7 1H5' T 7 0.066 7.598 -1.672
71 2H5* T 7 2H5' T 7 -0.681 9.020 -0.929
72 H4* T 7 H4' T 7 -2.099 6.993 -0.918
73 H3* T 7 H3' T 7 -1.645 8.663 1.397
74 1H2* T 7 2H2' T 7 -0.763 6.974 2.725
75 2H2* T 7 1H2' T 7 -2.393 6.427 2.908
76 H1* T 7 H1' T 7 -2.383 4.946 1.080
77 H3 T 7 H3 T 7 -0.095 1.191 2.239
78 1H5M T 7 1H5M T 7 3.896 3.747 2.762
79 2H5M T 7 2H5M T 7 3.304 5.411 2.823
80 3H5M T 7 3H5M T 7 3.164 4.360 4.251
81 H6 T 7 H6 T 7 0.955 5.844 2.550
82 1H5* T 8 1H5' T 8 -4.947 5.512 1.390
83 2H5* T 8 2H5' T 8 -6.458 6.078 2.121
84 H4* T 8 H4' T 8 -6.015 3.787 2.773
85 H3* T 8 H3' T 8 -6.324 5.899 4.753
86 1H2* T 8 2H2' T 8 -4.271 5.524 5.685
87 2H2* T 8 1H2' T 8 -5.060 4.176 6.527
88 H1* T 8 H1' T 8 -4.523 2.615 4.780
89 H3 T 8 H3 T 8 -0.218 1.149 5.070
90 1H5M T 8 1H5M T 8 0.236 5.988 6.879
91 2H5M T 8 2H5M T 8 1.484 5.462 5.743
92 3H5M T 8 3H5M T 8 0.151 6.472 5.170
93 H6 T 8 H6 T 8 -2.133 5.544 5.343
94 1H5* T 9 1H5' T 9 -7.441 1.291 5.726
95 2H5* T 9 2H5' T 9 -8.743 1.348 6.924
96 H4* T 9 H4' T 9 -7.280 -0.606 7.278
97 H3* T 9 H3' T 9 -7.560 1.530 9.363
98 1H2* T 9 2H2' T 9 -5.509 1.188 10.313
99 2H2* T 9 1H2' T 9 -5.739 -0.598 10.341
100 H1* T 9 H1' T 9 -4.597 -0.877 8.400
101 H3 T 9 H3 T 9 -0.372 0.838 8.270
102 1H5M T 9 1H5M T 9 -1.872 5.273 8.284
103 2H5M T 9 2H5M T 9 -3.626 5.130 8.115
104 3H5M T 9 3H5M T 9 -2.882 5.031 9.717
105 H6 T 9 H6 T 9 -4.674 3.000 8.472
106 1H5* A 10 1H5' A 10 -7.501 -2.908 10.975
107 2H5* A 10 2H5' A 10 -8.682 -3.090 12.285
108 H4* A 10 H4' A 10 -6.432 -4.123 12.701
109 H3* A 10 H3' A 10 -7.917 -2.592 14.610
110 H1* A 10 H1' A 10 -4.133 -2.776 14.123
111 H8 A 10 H8 A 10 -5.188 0.857 14.242
112 1H6 A 10 1H6 A 10 0.058 2.042 11.071
113 2H6 A 10 2H6 A 10 -1.129 2.753 12.171
114 H2 A 10 H2 A 10 -0.628 -2.302 11.046
115 2H2* A 10 1H2' A 10 -5.583 -1.786 15.802
116 1H2* A 10 2H2' A 10 -6.457 -0.839 14.571
117 1H5* C 11 1H5' C 11 -4.567 -5.718 15.742
118 2H5* C 11 2H5' C 11 -4.526 -6.211 17.441
119 H4* C 11 H4' C 11 -2.320 -5.859 16.205
120 H3* C 11 H3' C 11 -2.769 -5.303 18.935
121 H1* C 11 H1' C 11 -0.732 -3.222 16.528
122 1H4 C 11 1H4 C 11 -3.662 2.878 16.270
123 2H4 C 11 2H4 C 11 -2.285 2.867 15.199
124 H5 C 11 H5 C 11 -4.350 0.854 17.413
125 H6 C 11 H6 C 11 -4.017 -1.552 17.638
126 2H2* C 11 1H2' C 11 -1.142 -3.096 18.889
127 1H2* C 11 2H2' C 11 -2.916 -2.990 18.651
128 H3 C 11 H3 C 11 -0.899 1.100 15.114
129 1H5* C 12 1H5' C 12 1.507 -4.550 16.970
130 2H5* C 12 2H5' C 12 2.473 -5.597 18.028
131 H4* C 12 H4' C 12 3.955 -3.963 17.225
132 H3* C 12 H3' C 12 3.441 -4.086 20.040
133 H1* C 12 H1' C 12 4.233 -0.969 17.941
134 1H4 C 12 1H4 C 12 -1.241 2.874 17.773
135 2H4 C 12 2H4 C 12 -0.210 3.732 18.953
136 H5 C 12 H5 C 12 -1.085 0.290 18.670
137 H6 C 12 H6 C 12 0.560 -1.520 18.573
138 2H2* C 12 1H2' C 12 4.144 -1.429 20.295
139 1H2* C 12 2H2' C 12 2.430 -1.983 20.182
140 H3 C 12 H3 C 12 1.982 3.086 18.324
141 1H5* C 1 1H5' C 1 6.509 4.167 -19.768
142 2H5* C 1 2H5' C 1 7.138 5.485 -18.760
143 H4* C 1 H4' C 1 4.740 5.717 -19.138
144 H3* C 1 H3' C 1 5.959 5.946 -16.623
145 H1* C 1 H1' C 1 2.616 4.350 -17.276
146 1H4 C 1 1H4 C 1 3.144 -2.280 -16.444
147 2H4 C 1 2H4 C 1 1.469 -1.751 -16.716
148 H5 C 1 H5 C 1 4.949 -0.568 -16.493
149 H6 C 1 H6 C 1 5.372 1.794 -16.838
150 2H2* C 1 1H2' C 1 3.910 4.760 -15.286
151 1H2* C 1 2H2' C 1 5.281 3.814 -15.885
152 1H5* C 2 1H5' C 2 1.379 6.785 -17.055
153 2H5* C 2 2H5' C 2 0.887 8.169 -16.066
154 H4* C 2 H4' C 2 -0.813 6.390 -16.272
155 H3* C 2 H3' C 2 -0.072 7.626 -13.773
156 H1* C 2 H1' C 2 -1.328 4.163 -14.538
157 1H4 C 2 1H4 C 2 3.472 -0.276 -13.259
158 2H4 C 2 2H4 C 2 1.899 -1.082 -13.418
159 H5 C 2 H5 C 2 3.641 2.140 -13.415
160 H6 C 2 H6 C 2 2.380 4.162 -13.842
161 2H2* C 2 1H2' C 2 -0.969 5.352 -12.479
162 1H2* C 2 2H2' C 2 0.733 5.659 -12.842
163 1H5* T 3 1H5' T 3 -3.847 5.143 -14.638
164 2H5* T 3 2H5' T 3 -5.267 6.058 -14.106
165 H4* T 3 H4' T 3 -5.590 3.611 -14.217
166 H3* T 3 H3' T 3 -6.584 5.263 -12.197
167 1H2* T 3 2H2' T 3 -4.949 4.736 -10.659
168 2H2* T 3 1H2' T 3 -6.090 3.472 -10.176
169 H1* T 3 H1' T 3 -5.126 1.838 -11.620
170 H3 T 3 H3 T 3 -1.116 0.146 -10.232
171 1H5M T 3 1H5M T 3 -0.951 4.899 -8.214
172 2H5M T 3 2H5M T 3 0.519 4.402 -9.071
173 3H5M T 3 3H5M T 3 -0.645 5.472 -9.866
174 H6 T 3 H6 T 3 -2.963 4.587 -10.184
175 1H5* A 4 1H5' A 4 -7.202 0.741 -12.237
176 2H5* A 4 2H5' A 4 -8.899 0.361 -11.917
177 H4* A 4 H4' A 4 -7.516 -1.426 -11.149
178 H3* A 4 H3' A 4 -9.267 0.032 -9.296
179 H1* A 4 H1' A 4 -6.101 -2.032 -8.878
180 H8 A 4 H8 A 4 -5.618 1.499 -7.432
181 1H6 A 4 1H6 A 4 0.476 -0.251 -7.330
182 2H6 A 4 2H6 A 4 -0.509 1.171 -7.025
183 H2 A 4 H2 A 4 -1.966 -3.657 -8.136
184 2H2* A 4 1H2' A 4 -7.735 -1.142 -7.271
185 1H2* A 4 2H2' A 4 -7.508 0.503 -7.862
186 1H5* T 5 1H5' T 5 -7.601 -4.043 -8.654
187 2H5* T 5 2H5' T 5 -8.662 -5.190 -7.818
188 H4* T 5 H4' T 5 -6.452 -5.417 -6.948
189 H3* T 5 H3' T 5 -8.640 -4.635 -5.196
190 1H2* T 5 2H2' T 5 -7.624 -2.571 -4.995
191 2H2* T 5 1H2' T 5 -6.893 -3.262 -3.562
192 H1* T 5 H1' T 5 -5.046 -4.216 -4.991
193 H3 T 5 H3 T 5 -1.810 -1.194 -4.445
194 1H5M T 5 1H5M T 5 -5.457 1.061 -2.106
195 2H5M T 5 2H5M T 5 -5.090 2.196 -3.425
196 3H5M T 5 3H5M T 5 -6.599 1.277 -3.462
197 H6 T 5 H6 T 5 -6.580 -0.833 -4.507
198 1H5* T 6 1H5' T 6 -4.627 -6.686 -4.338
199 2H5* T 6 2H5' T 6 -5.085 -8.065 -3.328
200 H4* T 6 H4' T 6 -2.712 -7.613 -3.188
201 H3* T 6 H3' T 6 -4.474 -7.812 -0.905
202 1H2* T 6 2H2' T 6 -3.975 -5.803 0.046
203 2H2* T 6 1H2' T 6 -2.397 -6.473 0.472
204 H1* T 6 H1' T 6 -1.295 -5.575 -1.373
205 H3 T 6 H3 T 6 -1.173 -1.016 -0.837
206 1H5M T 6 1H5M T 6 -6.329 -2.459 -0.310
207 2H5M T 6 2H5M T 6 -5.857 -0.759 -0.386
208 3H5M T 6 3H5M T 6 -6.169 -1.659 -1.880
209 H6 T 6 H6 T 6 -4.788 -4.160 -1.288
210 1H5* A 7 1H5' A 7 0.007 -8.171 -0.319
211 2H5* A 7 2H5' A 7 0.420 -9.583 0.669
212 H4* A 7 H4' A 7 1.898 -7.716 1.137
213 H3* A 7 H3' A 7 0.357 -9.049 3.213
214 H1* A 7 H1' A 7 1.610 -5.456 2.959
215 H8 A 7 H8 A 7 -2.311 -5.565 3.295
216 1H6 A 7 1H6 A 7 -1.936 0.509 1.879
217 2H6 A 7 2H6 A 7 -3.043 -0.758 2.390
218 H2 A 7 H2 A 7 2.152 -1.124 2.082
219 2H2* A 7 1H2' A 7 0.678 -6.776 4.760
220 1H2* A 7 2H2' A 7 -0.778 -7.149 3.815
221 1H5* A 8 1H5' A 8 4.567 -6.971 3.504
222 2H5* A 8 2H5' A 8 5.514 -7.929 4.650
223 H4* A 8 H4' A 8 6.352 -5.679 4.471
224 H3* A 8 H3' A 8 5.905 -6.961 6.906
225 H1* A 8 H1' A 8 4.975 -3.264 6.287
226 H8 A 8 H8 A 8 1.849 -5.646 6.422
227 1H6 A 8 1H6 A 8 -1.362 -0.418 5.261
228 2H6 A 8 2H6 A 8 -1.502 -2.134 5.626
229 H2 A 8 H2 A 8 2.957 0.585 5.368
230 2H2* A 8 1H2' A 8 4.979 -4.730 8.173
231 1H2* A 8 2H2' A 8 3.899 -5.889 7.385
232 1H5* A 9 1H5' A 9 8.280 -2.698 6.723
233 2H5* A 9 2H5' A 9 9.607 -2.928 7.872
234 H4* A 9 H4' A 9 8.999 -0.591 7.676
235 H3* A 9 H3' A 9 9.477 -1.801 10.100
236 H1* A 9 H1' A 9 6.453 0.492 9.599
237 H8 A 9 H8 A 9 5.349 -3.245 9.864
238 1H6 A 9 1H6 A 9 -0.317 -1.099 8.562
239 2H6 A 9 2H6 A 9 0.656 -2.523 8.916
240 H2 A 9 H2 A 9 2.533 2.320 8.307
241 2H2* A 9 1H2' A 9 7.353 -0.798 11.418
242 1H2* A 9 2H2' A 9 7.221 -2.316 10.532
243 1H5* T 10 1H5' T 10 8.166 2.752 10.050
244 2H5* T 10 2H5' T 10 9.010 3.656 11.316
245 H4* T 10 H4' T 10 6.736 4.482 10.840
246 H3* T 10 H3' T 10 7.709 3.938 13.506
247 1H2* T 10 2H2' T 10 6.142 2.355 13.969
248 2H2* T 10 1H2' T 10 5.071 3.722 14.275
249 H1* T 10 H1' T 10 4.215 3.749 12.045
250 H3 T 10 H3 T 10 1.148 0.390 11.567
251 1H5M T 10 1H5M T 10 5.721 -2.000 13.113
252 2H5M T 10 2H5M T 10 4.574 -2.026 14.471
253 3H5M T 10 3H5M T 10 4.204 -2.892 12.970
254 H6 T 10 H6 T 10 5.641 0.450 13.252
255 1H5* C 11 1H5' C 11 4.293 6.953 12.262
256 2H5* C 11 2H5' C 11 4.327 8.358 13.341
257 H4* C 11 H4' C 11 2.095 7.914 12.420
258 H3* C 11 H3' C 11 2.638 8.370 15.170
259 H1* C 11 H1' C 11 0.029 5.851 13.734
260 1H4 C 11 1H4 C 11 2.947 0.087 15.566
261 2H4 C 11 2H4 C 11 1.286 -0.191 15.011
262 H5 C 11 H5 C 11 3.818 2.375 15.686
263 H6 C 11 H6 C 11 3.281 4.698 15.238
264 2H2* C 11 1H2' C 11 0.346 6.912 15.798
265 1H2* C 11 2H2' C 11 2.004 6.332 15.977
266 1H5* C 12 1H5' C 12 -1.342 8.594 16.263
267 2H5* C 12 2H5' C 12 -1.621 10.192 16.977
268 H4* C 12 H4' C 12 -1.892 8.399 18.641
269 H3* C 12 H3' C 12 -0.365 10.707 19.130
270 H1* C 12 H1' C 12 0.487 7.274 20.268
271 1H4 C 12 1H4 C 12 5.537 4.668 16.775
272 2H4 C 12 2H4 C 12 4.621 3.384 17.662
273 H5 C 12 H5 C 12 4.917 7.009 17.086
274 H6 C 12 H6 C 12 3.187 8.456 17.923
275 2H2* C 12 1H2' C 12 1.560 9.400 20.527
276 1H2* C 12 2H2' C 12 1.691 9.645 18.761
Start of MODEL 13
1 1H5* C 1 1H5' C 1 -4.834 -2.271 -22.390
2 2H5* C 1 2H5' C 1 -5.653 -3.834 -22.184
3 H4* C 1 H4' C 1 -3.339 -4.124 -21.672
4 H3* C 1 H3' C 1 -5.307 -4.728 -19.691
5 H1* C 1 H1' C 1 -1.760 -3.383 -19.166
6 1H4 C 1 1H4 C 1 -2.198 2.280 -15.655
7 2H4 C 1 2H4 C 1 -1.018 2.607 -16.902
8 H5 C 1 H5 C 1 -4.167 1.405 -17.804
9 H6 C 1 H6 C 1 -4.527 -0.791 -18.831
10 2H2* C 1 1H2' C 1 -3.440 -4.272 -17.705
11 1H2* C 1 2H2' C 1 -4.635 -3.038 -18.216
12 H3 C 1 H3 C 1 -0.308 0.275 -16.745
13 1H5* C 2 1H5' C 2 -0.906 -5.976 -19.195
14 2H5* C 2 2H5' C 2 -0.905 -7.685 -18.714
15 H4* C 2 H4' C 2 1.012 -6.493 -17.809
16 H3* C 2 H3' C 2 -0.798 -8.008 -16.148
17 H1* C 2 H1' C 2 1.160 -4.763 -15.259
18 1H4 C 2 1H4 C 2 -3.487 -0.527 -13.016
19 2H4 C 2 2H4 C 2 -2.636 0.403 -14.205
20 H5 C 2 H5 C 2 -3.963 -2.670 -15.134
21 H6 C 2 H6 C 2 -2.614 -4.617 -15.746
22 2H2* C 2 1H2' C 2 0.122 -6.473 -14.005
23 1H2* C 2 2H2' C 2 -1.457 -6.250 -14.805
24 H3 C 2 H3 C 2 -0.591 -0.803 -13.575
25 1H5* A 3 1H5' A 3 3.445 -6.878 -14.813
26 2H5* A 3 2H5' A 3 4.231 -8.229 -13.989
27 H4* A 3 H4' A 3 4.798 -5.806 -13.359
28 H3* A 3 H3' A 3 4.715 -8.113 -11.592
29 H1* A 3 H1' A 3 3.976 -4.405 -10.993
30 H8 A 3 H8 A 3 0.955 -6.643 -10.186
31 1H6 A 3 1H6 A 3 -2.141 -1.302 -11.168
32 2H6 A 3 2H6 A 3 -2.358 -3.036 -10.956
33 H2 A 3 H2 A 3 2.108 -0.374 -10.470
34 2H2* A 3 1H2' A 3 4.420 -6.246 -9.541
35 1H2* A 3 2H2' A 3 3.092 -7.200 -10.154
36 1H5* T 4 1H5' T 4 6.559 -4.063 -10.944
37 2H5* T 4 2H5' T 4 8.155 -4.100 -10.182
38 H4* T 4 H4' T 4 6.923 -2.081 -9.600
39 H3* T 4 H3' T 4 7.971 -3.928 -7.590
40 1H2* T 4 2H2' T 4 5.979 -4.155 -6.510
41 2H2* T 4 1H2' T 4 6.223 -2.552 -5.848
42 H1* T 4 H1' T 4 4.992 -1.451 -7.605
43 H3 T 4 H3 T 4 0.550 -2.181 -6.753
44 1H5M T 4 1H5M T 4 2.799 -7.085 -7.255
45 2H5M T 4 2H5M T 4 2.263 -6.815 -5.585
46 3H5M T 4 3H5M T 4 1.078 -6.874 -6.901
47 H6 T 4 H6 T 4 4.249 -5.222 -7.131
48 1H5* A 5 1H5' A 5 7.382 0.575 -7.060
49 2H5* A 5 2H5' A 5 8.658 1.288 -6.060
50 H4* A 5 H4' A 5 6.493 2.419 -5.842
51 H3* A 5 H3' A 5 8.064 1.466 -3.581
52 H1* A 5 H1' A 5 4.280 1.859 -3.996
53 H8 A 5 H8 A 5 5.338 -1.933 -3.607
54 1H6 A 5 1H6 A 5 -0.840 -2.887 -4.260
55 2H6 A 5 2H6 A 5 0.639 -3.705 -3.800
56 H2 A 5 H2 A 5 -0.057 1.434 -4.265
57 2H2* A 5 1H2' A 5 5.720 1.535 -2.099
58 1H2* A 5 2H2' A 5 6.421 0.063 -2.802
59 1H5* A 6 1H5' A 6 5.349 5.247 -4.014
60 2H5* A 6 2H5' A 6 5.971 6.543 -2.984
61 H4* A 6 H4' A 6 3.583 6.718 -3.575
62 H3* A 6 H3' A 6 4.629 7.379 -1.106
63 H1* A 6 H1' A 6 1.433 5.231 -1.440
64 H8 A 6 H8 A 6 4.621 3.095 -0.525
65 1H6 A 6 1H6 A 6 0.660 -1.694 -0.875
66 2H6 A 6 2H6 A 6 2.328 -1.221 -0.568
67 H2 A 6 H2 A 6 -1.626 2.048 -1.581
68 2H2* A 6 1H2' A 6 2.642 6.233 0.309
69 1H2* A 6 2H2' A 6 4.096 5.328 0.008
70 1H5* T 7 1H5' T 7 0.073 7.512 -1.851
71 2H5* T 7 2H5' T 7 -0.711 8.943 -1.166
72 H4* T 7 H4' T 7 -2.109 6.896 -1.188
73 H3* T 7 H3' T 7 -1.809 8.632 1.096
74 1H2* T 7 2H2' T 7 -0.936 7.003 2.506
75 2H2* T 7 1H2' T 7 -2.562 6.439 2.649
76 H1* T 7 H1' T 7 -2.461 4.894 0.870
77 H3 T 7 H3 T 7 -0.194 1.228 2.324
78 1H5M T 7 1H5M T 7 3.760 3.892 2.773
79 2H5M T 7 2H5M T 7 3.116 5.534 2.878
80 3H5M T 7 3H5M T 7 2.999 4.439 4.273
81 H6 T 7 H6 T 7 0.807 5.899 2.416
82 1H5* T 8 1H5' T 8 -4.990 5.373 1.017
83 2H5* T 8 2H5' T 8 -6.559 5.901 1.649
84 H4* T 8 H4' T 8 -6.084 3.644 2.375
85 H3* T 8 H3' T 8 -6.584 5.775 4.286
86 1H2* T 8 2H2' T 8 -4.535 5.518 5.289
87 2H2* T 8 1H2' T 8 -5.333 4.205 6.178
88 H1* T 8 H1' T 8 -4.693 2.567 4.504
89 H3 T 8 H3 T 8 -0.397 1.172 5.132
90 1H5M T 8 1H5M T 8 -0.057 6.476 4.955
91 2H5M T 8 2H5M T 8 -0.124 6.129 6.695
92 3H5M T 8 3H5M T 8 1.220 5.523 5.721
93 H6 T 8 H6 T 8 -2.373 5.548 5.077
94 1H5* T 9 1H5' T 9 -7.480 1.151 5.238
95 2H5* T 9 2H5' T 9 -8.853 1.097 6.355
96 H4* T 9 H4' T 9 -7.246 -0.742 6.748
97 H3* T 9 H3' T 9 -8.004 1.210 8.838
98 1H2* T 9 2H2' T 9 -5.938 1.411 9.738
99 2H2* T 9 1H2' T 9 -5.941 -0.364 10.126
100 H1* T 9 H1' T 9 -4.778 -0.866 8.161
101 H3 T 9 H3 T 9 -0.536 0.796 8.480
102 1H5M T 9 1H5M T 9 -3.291 5.077 9.305
103 2H5M T 9 2H5M T 9 -1.926 5.248 8.195
104 3H5M T 9 3H5M T 9 -3.568 5.099 7.557
105 H6 T 9 H6 T 9 -4.779 3.009 7.973
106 1H5* A 10 1H5' A 10 -7.237 -3.266 10.441
107 2H5* A 10 2H5' A 10 -8.453 -3.589 11.690
108 H4* A 10 H4' A 10 -6.170 -4.376 12.260
109 H3* A 10 H3' A 10 -7.855 -2.918 14.058
110 H1* A 10 H1' A 10 -4.083 -2.871 13.765
111 H8 A 10 H8 A 10 -5.346 0.703 13.562
112 1H6 A 10 1H6 A 10 0.356 1.989 11.331
113 2H6 A 10 2H6 A 10 -1.009 2.713 12.163
114 H2 A 10 H2 A 10 -0.149 -2.396 11.485
115 2H2* A 10 1H2' A 10 -5.658 -1.883 15.327
116 1H2* A 10 2H2' A 10 -6.522 -1.049 14.009
117 1H5* C 11 1H5' C 11 -4.291 -5.770 15.407
118 2H5* C 11 2H5' C 11 -4.427 -6.273 17.101
119 H4* C 11 H4' C 11 -2.108 -5.931 16.194
120 H3* C 11 H3' C 11 -2.939 -5.142 18.797
121 H1* C 11 H1' C 11 -0.497 -3.376 16.484
122 1H4 C 11 1H4 C 11 -3.042 2.296 14.296
123 2H4 C 11 2H4 C 11 -1.614 2.830 15.086
124 H5 C 11 H5 C 11 -4.234 0.705 16.350
125 H6 C 11 H6 C 11 -3.877 -1.641 16.933
126 2H2* C 11 1H2' C 11 -1.145 -3.049 18.782
127 1H2* C 11 2H2' C 11 -2.869 -2.857 18.343
128 H3 C 11 H3 C 11 -0.356 0.941 14.880
129 1H5* C 12 1H5' C 12 1.497 -4.596 17.418
130 2H5* C 12 2H5' C 12 2.355 -5.564 18.632
131 H4* C 12 H4' C 12 3.872 -3.908 17.912
132 H3* C 12 H3' C 12 3.025 -3.922 20.667
133 H1* C 12 H1' C 12 4.096 -0.985 18.489
134 1H4 C 12 1H4 C 12 -1.039 3.295 17.814
135 2H4 C 12 2H4 C 12 -0.074 4.005 19.140
136 H5 C 12 H5 C 12 -1.163 0.657 18.502
137 H6 C 12 H6 C 12 0.349 -1.270 18.556
138 2H2* C 12 1H2' C 12 3.730 -1.257 20.857
139 1H2* C 12 2H2' C 12 2.030 -1.804 20.578
140 H3 C 12 H3 C 12 2.114 3.216 18.750
141 1H5* C 1 1H5' C 1 6.525 3.966 -19.644
142 2H5* C 1 2H5' C 1 7.105 5.431 -18.830
143 H4* C 1 H4' C 1 4.729 5.594 -19.151
144 H3* C 1 H3' C 1 5.897 5.926 -16.608
145 H1* C 1 H1' C 1 2.575 4.338 -17.347
146 1H4 C 1 1H4 C 1 2.939 -2.279 -16.367
147 2H4 C 1 2H4 C 1 1.295 -1.718 -16.738
148 H5 C 1 H5 C 1 4.777 -0.596 -16.318
149 H6 C 1 H6 C 1 5.253 1.762 -16.673
150 2H2* C 1 1H2' C 1 3.782 4.807 -15.304
151 1H2* C 1 2H2' C 1 5.169 3.829 -15.811
152 1H5* C 2 1H5' C 2 1.330 6.742 -17.186
153 2H5* C 2 2H5' C 2 0.815 8.164 -16.265
154 H4* C 2 H4' C 2 -0.874 6.372 -16.414
155 H3* C 2 H3' C 2 -0.162 7.709 -13.957
156 H1* C 2 H1' C 2 -1.412 4.228 -14.609
157 1H4 C 2 1H4 C 2 3.345 -0.212 -13.190
158 2H4 C 2 2H4 C 2 1.774 -1.013 -13.384
159 H5 C 2 H5 C 2 3.523 2.207 -13.332
160 H6 C 2 H6 C 2 2.283 4.226 -13.815
161 2H2* C 2 1H2' C 2 -1.075 5.488 -12.587
162 1H2* C 2 2H2' C 2 0.631 5.780 -12.939
163 1H5* T 3 1H5' T 3 -3.914 5.180 -14.725
164 2H5* T 3 2H5' T 3 -5.359 6.054 -14.195
165 H4* T 3 H4' T 3 -5.571 3.591 -14.206
166 H3* T 3 H3' T 3 -6.549 5.291 -12.178
167 1H2* T 3 2H2' T 3 -4.913 4.737 -10.652
168 2H2* T 3 1H2' T 3 -6.044 3.456 -10.191
169 H1* T 3 H1' T 3 -5.073 1.869 -11.705
170 H3 T 3 H3 T 3 -1.113 0.129 -10.233
171 1H5M T 3 1H5M T 3 -0.510 5.411 -9.894
172 2H5M T 3 2H5M T 3 -0.979 4.937 -8.248
173 3H5M T 3 3H5M T 3 0.533 4.336 -8.951
174 H6 T 3 H6 T 3 -2.910 4.590 -10.204
175 1H5* A 4 1H5' A 4 -7.174 0.782 -12.286
176 2H5* A 4 2H5' A 4 -8.872 0.397 -11.976
177 H4* A 4 H4' A 4 -7.484 -1.410 -11.253
178 H3* A 4 H3' A 4 -9.249 -0.009 -9.376
179 H1* A 4 H1' A 4 -6.077 -2.063 -8.980
180 H8 A 4 H8 A 4 -5.609 1.447 -7.478
181 1H6 A 4 1H6 A 4 0.479 -0.319 -7.309
182 2H6 A 4 2H6 A 4 -0.505 1.105 -7.005
183 H2 A 4 H2 A 4 -1.955 -3.707 -8.193
184 2H2* A 4 1H2' A 4 -7.721 -1.203 -7.364
185 1H2* A 4 2H2' A 4 -7.495 0.453 -7.931
186 1H5* T 5 1H5' T 5 -7.552 -4.082 -8.792
187 2H5* T 5 2H5' T 5 -8.608 -5.251 -7.980
188 H4* T 5 H4' T 5 -6.401 -5.470 -7.103
189 H3* T 5 H3' T 5 -8.605 -4.744 -5.347
190 1H2* T 5 2H2' T 5 -7.612 -2.666 -5.109
191 2H2* T 5 1H2' T 5 -6.882 -3.375 -3.682
192 H1* T 5 H1' T 5 -5.023 -4.293 -5.116
193 H3 T 5 H3 T 5 -1.809 -1.276 -4.479
194 1H5M T 5 1H5M T 5 -5.452 0.975 -2.157
195 2H5M T 5 2H5M T 5 -5.129 2.102 -3.495
196 3H5M T 5 3H5M T 5 -6.621 1.154 -3.495
197 H6 T 5 H6 T 5 -6.579 -0.924 -4.591
198 1H5* T 6 1H5' T 6 -4.556 -6.724 -4.508
199 2H5* T 6 2H5' T 6 -4.980 -8.132 -3.524
200 H4* T 6 H4' T 6 -2.617 -7.613 -3.376
201 H3* T 6 H3' T 6 -4.368 -7.938 -1.106
202 1H2* T 6 2H2' T 6 -3.970 -5.911 -0.138
203 2H2* T 6 1H2' T 6 -2.387 -6.542 0.332
204 H1* T 6 H1' T 6 -1.262 -5.613 -1.500
205 H3 T 6 H3 T 6 -1.178 -1.079 -0.787
206 1H5M T 6 1H5M T 6 -5.869 -0.824 -0.511
207 2H5M T 6 2H5M T 6 -6.175 -1.798 -1.959
208 3H5M T 6 3H5M T 6 -6.315 -2.526 -0.353
209 H6 T 6 H6 T 6 -4.764 -4.224 -1.429
210 1H5* A 7 1H5' A 7 0.127 -8.088 -0.471
211 2H5* A 7 2H5' A 7 0.587 -9.507 0.485
212 H4* A 7 H4' A 7 1.977 -7.603 1.038
213 H3* A 7 H3' A 7 0.428 -9.031 3.051
214 H1* A 7 H1' A 7 1.602 -5.412 2.887
215 H8 A 7 H8 A 7 -2.324 -5.594 3.138
216 1H6 A 7 1H6 A 7 -2.007 0.514 1.863
217 2H6 A 7 2H6 A 7 -3.111 -0.777 2.316
218 H2 A 7 H2 A 7 2.094 -1.045 2.196
219 2H2* A 7 1H2' A 7 0.659 -6.781 4.649
220 1H2* A 7 2H2' A 7 -0.768 -7.168 3.668
221 1H5* A 8 1H5' A 8 4.556 -6.797 3.504
222 2H5* A 8 2H5' A 8 5.503 -7.783 4.629
223 H4* A 8 H4' A 8 6.294 -5.517 4.596
224 H3* A 8 H3' A 8 5.747 -6.916 6.954
225 H1* A 8 H1' A 8 4.805 -3.201 6.438
226 H8 A 8 H8 A 8 1.713 -5.628 6.374
227 1H6 A 8 1H6 A 8 -1.532 -0.416 5.238
228 2H6 A 8 2H6 A 8 -1.659 -2.143 5.556
229 H2 A 8 H2 A 8 2.769 0.647 5.543
230 2H2* A 8 1H2' A 8 4.766 -4.734 8.267
231 1H2* A 8 2H2' A 8 3.726 -5.875 7.404
232 1H5* A 9 1H5' A 9 8.192 -2.675 7.078
233 2H5* A 9 2H5' A 9 9.440 -2.972 8.298
234 H4* A 9 H4' A 9 8.866 -0.620 8.158
235 H3* A 9 H3' A 9 9.181 -1.942 10.555
236 H1* A 9 H1' A 9 6.205 0.407 9.966
237 H8 A 9 H8 A 9 5.097 -3.344 10.047
238 1H6 A 9 1H6 A 9 -0.503 -1.164 8.541
239 2H6 A 9 2H6 A 9 0.451 -2.589 8.939
240 H2 A 9 H2 A 9 2.382 2.240 8.383
241 2H2* A 9 1H2' A 9 6.995 -0.952 11.787
242 1H2* A 9 2H2' A 9 6.920 -2.430 10.839
243 1H5* T 10 1H5' T 10 8.553 2.933 10.639
244 2H5* T 10 2H5' T 10 9.234 3.548 12.151
245 H4* T 10 H4' T 10 7.244 4.821 11.332
246 H3* T 10 H3' T 10 7.443 3.678 14.050
247 1H2* T 10 2H2' T 10 5.282 3.125 14.325
248 2H2* T 10 1H2' T 10 4.683 4.668 13.706
249 H1* T 10 H1' T 10 4.240 4.001 11.668
250 H3 T 10 H3 T 10 1.466 0.401 11.887
251 1H5M T 10 1H5M T 10 5.512 -2.141 13.297
252 2H5M T 10 2H5M T 10 6.096 -0.937 14.449
253 3H5M T 10 3H5M T 10 4.570 -1.787 14.752
254 H6 T 10 H6 T 10 5.975 1.142 13.362
255 1H5* C 11 1H5' C 11 4.937 7.284 12.972
256 2H5* C 11 2H5' C 11 4.872 8.607 14.149
257 H4* C 11 H4' C 11 2.719 8.167 12.981
258 H3* C 11 H3' C 11 3.008 8.529 15.790
259 H1* C 11 H1' C 11 0.585 6.051 14.032
260 1H4 C 11 1H4 C 11 3.301 0.248 15.995
261 2H4 C 11 2H4 C 11 1.714 -0.080 15.291
262 H5 C 11 H5 C 11 4.113 2.493 16.291
263 H6 C 11 H6 C 11 3.658 4.818 15.842
264 2H2* C 11 1H2' C 11 0.701 7.024 16.161
265 1H2* C 11 2H2' C 11 2.349 6.461 16.461
266 1H5* C 12 1H5' C 12 -0.912 8.866 16.632
267 2H5* C 12 2H5' C 12 -1.197 10.460 17.352
268 H4* C 12 H4' C 12 -1.492 8.675 19.009
269 H3* C 12 H3' C 12 0.131 10.934 19.507
270 H1* C 12 H1' C 12 0.740 7.464 20.654
271 1H4 C 12 1H4 C 12 5.773 4.556 17.416
272 2H4 C 12 2H4 C 12 4.767 3.345 18.303
273 H5 C 12 H5 C 12 5.335 6.945 17.759
274 H6 C 12 H6 C 12 3.635 8.487 18.479
275 2H2* C 12 1H2' C 12 1.948 9.529 20.955
276 1H2* C 12 2H2' C 12 2.133 9.760 19.189
Start of MODEL 14
1 1H5* C 1 1H5' C 1 -4.467 -2.617 -22.258
2 2H5* C 1 2H5' C 1 -5.306 -4.163 -22.001
3 H4* C 1 H4' C 1 -2.991 -4.450 -21.465
4 H3* C 1 H3' C 1 -4.992 -4.982 -19.491
5 H1* C 1 H1' C 1 -1.435 -3.641 -18.960
6 1H4 C 1 1H4 C 1 -1.947 2.131 -15.628
7 2H4 C 1 2H4 C 1 -0.749 2.424 -16.871
8 H5 C 1 H5 C 1 -3.887 1.163 -17.742
9 H6 C 1 H6 C 1 -4.224 -1.064 -18.706
10 2H2* C 1 1H2' C 1 -3.127 -4.501 -17.504
11 1H2* C 1 2H2' C 1 -4.318 -3.277 -18.043
12 H3 C 1 H3 C 1 -0.016 0.106 -16.652
13 1H5* C 2 1H5' C 2 -0.617 -6.284 -18.899
14 2H5* C 2 2H5' C 2 -0.637 -7.968 -18.336
15 H4* C 2 H4' C 2 1.268 -6.732 -17.455
16 H3* C 2 H3' C 2 -0.572 -8.169 -15.755
17 H1* C 2 H1' C 2 1.390 -4.893 -14.999
18 1H4 C 2 1H4 C 2 -3.293 -0.574 -12.975
19 2H4 C 2 2H4 C 2 -2.393 0.322 -14.155
20 H5 C 2 H5 C 2 -3.733 -2.794 -14.976
21 H6 C 2 H6 C 2 -2.383 -4.765 -15.502
22 2H2* C 2 1H2' C 2 0.346 -6.540 -13.673
23 1H2* C 2 2H2' C 2 -1.232 -6.354 -14.488
24 H3 C 2 H3 C 2 -0.359 -0.856 -13.507
25 1H5* A 3 1H5' A 3 3.654 -7.010 -14.406
26 2H5* A 3 2H5' A 3 4.423 -8.313 -13.496
27 H4* A 3 H4' A 3 4.960 -5.849 -12.985
28 H3* A 3 H3' A 3 4.872 -8.066 -11.101
29 H1* A 3 H1' A 3 4.098 -4.340 -10.716
30 H8 A 3 H8 A 3 1.075 -6.545 -9.827
31 1H6 A 3 1H6 A 3 -2.019 -1.262 -11.104
32 2H6 A 3 2H6 A 3 -2.244 -2.982 -10.801
33 H2 A 3 H2 A 3 2.220 -0.298 -10.449
34 2H2* A 3 1H2' A 3 4.538 -6.091 -9.159
35 1H2* A 3 2H2' A 3 3.223 -7.089 -9.731
36 1H5* T 4 1H5' T 4 6.682 -3.976 -10.664
37 2H5* T 4 2H5' T 4 8.265 -3.949 -9.876
38 H4* T 4 H4' T 4 6.996 -1.912 -9.443
39 H3* T 4 H3' T 4 8.050 -3.609 -7.311
40 1H2* T 4 2H2' T 4 6.050 -3.806 -6.237
41 2H2* T 4 1H2' T 4 6.259 -2.159 -5.675
42 H1* T 4 H1' T 4 5.027 -1.194 -7.507
43 H3 T 4 H3 T 4 0.577 -1.964 -6.704
44 1H5M T 4 1H5M T 4 2.925 -6.839 -6.881
45 2H5M T 4 2H5M T 4 2.390 -6.481 -5.229
46 3H5M T 4 3H5M T 4 1.202 -6.644 -6.533
47 H6 T 4 H6 T 4 4.347 -4.941 -6.810
48 1H5* A 5 1H5' A 5 7.334 0.889 -7.009
49 2H5* A 5 2H5' A 5 8.576 1.690 -6.032
50 H4* A 5 H4' A 5 6.379 2.747 -5.850
51 H3* A 5 H3' A 5 7.964 1.914 -3.559
52 H1* A 5 H1' A 5 4.193 2.186 -3.996
53 H8 A 5 H8 A 5 5.272 -1.584 -3.469
54 1H6 A 5 1H6 A 5 -0.897 -2.593 -4.177
55 2H6 A 5 2H6 A 5 0.577 -3.392 -3.668
56 H2 A 5 H2 A 5 -0.130 1.721 -4.349
57 2H2* A 5 1H2' A 5 5.631 1.887 -2.078
58 1H2* A 5 2H2' A 5 6.370 0.438 -2.790
59 1H5* A 6 1H5' A 6 5.057 5.565 -4.060
60 2H5* A 6 2H5' A 6 5.640 6.897 -3.052
61 H4* A 6 H4' A 6 3.249 7.003 -3.601
62 H3* A 6 H3' A 6 4.296 7.672 -1.138
63 H1* A 6 H1' A 6 1.171 5.450 -1.456
64 H8 A 6 H8 A 6 4.397 3.331 -0.664
65 1H6 A 6 1H6 A 6 0.448 -1.479 -0.851
66 2H6 A 6 2H6 A 6 2.126 -0.992 -0.626
67 H2 A 6 H2 A 6 -1.877 2.270 -1.488
68 2H2* A 6 1H2' A 6 2.408 6.423 0.312
69 1H2* A 6 2H2' A 6 3.874 5.559 -0.078
70 1H5* T 7 1H5' T 7 -0.296 7.577 -1.746
71 2H5* T 7 2H5' T 7 -1.099 8.982 -1.031
72 H4* T 7 H4' T 7 -2.454 6.925 -0.984
73 H3* T 7 H3' T 7 -2.025 8.613 1.326
74 1H2* T 7 2H2' T 7 -1.082 6.936 2.632
75 2H2* T 7 1H2' T 7 -2.704 6.369 2.852
76 H1* T 7 H1' T 7 -2.706 4.898 1.000
77 H3 T 7 H3 T 7 -0.426 1.144 2.190
78 1H5M T 7 1H5M T 7 3.575 3.640 2.722
79 2H5M T 7 2H5M T 7 3.031 5.317 2.587
80 3H5M T 7 3H5M T 7 2.835 4.436 4.118
81 H6 T 7 H6 T 7 0.641 5.799 2.433
82 1H5* T 8 1H5' T 8 -5.276 5.386 1.383
83 2H5* T 8 2H5' T 8 -6.783 5.946 2.128
84 H4* T 8 H4' T 8 -6.306 3.678 2.822
85 H3* T 8 H3' T 8 -6.608 5.825 4.756
86 1H2* T 8 2H2' T 8 -4.517 5.518 5.630
87 2H2* T 8 1H2' T 8 -5.265 4.199 6.553
88 H1* T 8 H1' T 8 -4.764 2.575 4.839
89 H3 T 8 H3 T 8 -0.447 1.137 5.066
90 1H5M T 8 1H5M T 8 -0.139 6.138 6.682
91 2H5M T 8 2H5M T 8 1.241 5.436 5.833
92 3H5M T 8 3H5M T 8 0.044 6.378 4.933
93 H6 T 8 H6 T 8 -2.378 5.527 5.294
94 1H5* T 9 1H5' T 9 -7.608 1.220 5.897
95 2H5* T 9 2H5' T 9 -8.881 1.298 7.125
96 H4* T 9 H4' T 9 -7.384 -0.616 7.524
97 H3* T 9 H3' T 9 -7.593 1.612 9.527
98 1H2* T 9 2H2' T 9 -5.511 1.296 10.414
99 2H2* T 9 1H2' T 9 -5.738 -0.488 10.513
100 H1* T 9 H1' T 9 -4.675 -0.836 8.538
101 H3 T 9 H3 T 9 -0.450 0.863 8.264
102 1H5M T 9 1H5M T 9 -1.903 5.302 8.305
103 2H5M T 9 2H5M T 9 -3.628 5.158 7.952
104 3H5M T 9 3H5M T 9 -3.060 5.093 9.627
105 H6 T 9 H6 T 9 -4.744 3.038 8.477
106 1H5* A 10 1H5' A 10 -7.555 -2.826 11.185
107 2H5* A 10 2H5' A 10 -8.679 -2.971 12.549
108 H4* A 10 H4' A 10 -6.467 -4.125 12.837
109 H3* A 10 H3' A 10 -7.803 -2.606 14.837
110 H1* A 10 H1' A 10 -4.038 -2.803 14.205
111 H8 A 10 H8 A 10 -5.093 0.832 14.319
112 1H6 A 10 1H6 A 10 0.082 1.985 11.021
113 2H6 A 10 2H6 A 10 -1.075 2.703 12.146
114 H2 A 10 H2 A 10 -0.614 -2.358 11.039
115 2H2* A 10 1H2' A 10 -5.428 -1.807 15.926
116 1H2* A 10 2H2' A 10 -6.338 -0.858 14.724
117 1H5* C 11 1H5' C 11 -4.443 -5.804 15.804
118 2H5* C 11 2H5' C 11 -4.331 -6.292 17.503
119 H4* C 11 H4' C 11 -2.179 -5.983 16.158
120 H3* C 11 H3' C 11 -2.481 -5.428 18.905
121 H1* C 11 H1' C 11 -0.539 -3.351 16.411
122 1H4 C 11 1H4 C 11 -3.463 2.762 16.357
123 2H4 C 11 2H4 C 11 -2.155 2.755 15.203
124 H5 C 11 H5 C 11 -4.125 0.714 17.467
125 H6 C 11 H6 C 11 -3.779 -1.692 17.657
126 2H2* C 11 1H2' C 11 -0.837 -3.239 18.788
127 1H2* C 11 2H2' C 11 -2.619 -3.112 18.636
128 H3 C 11 H3 C 11 -0.750 0.994 15.062
129 1H5* C 12 1H5' C 12 1.700 -4.664 16.746
130 2H5* C 12 2H5' C 12 2.701 -5.743 17.737
131 H4* C 12 H4' C 12 4.167 -4.108 16.909
132 H3* C 12 H3' C 12 3.774 -4.283 19.736
133 H1* C 12 H1' C 12 4.483 -1.116 17.685
134 1H4 C 12 1H4 C 12 -0.999 2.716 17.746
135 2H4 C 12 2H4 C 12 0.059 3.551 18.921
136 H5 C 12 H5 C 12 -0.814 0.114 18.600
137 H6 C 12 H6 C 12 0.832 -1.689 18.420
138 2H2* C 12 1H2' C 12 4.465 -1.630 20.030
139 1H2* C 12 2H2' C 12 2.751 -2.190 19.955
140 H3 C 12 H3 C 12 2.234 2.924 18.214
141 1H5* C 1 1H5' C 1 6.784 3.870 -19.632
142 2H5* C 1 2H5' C 1 7.393 5.230 -18.671
143 H4* C 1 H4' C 1 5.017 5.481 -19.160
144 H3* C 1 H3' C 1 6.130 5.829 -16.616
145 H1* C 1 H1' C 1 2.802 4.215 -17.301
146 1H4 C 1 1H4 C 1 3.277 -2.385 -16.253
147 2H4 C 1 2H4 C 1 1.615 -1.861 -16.606
148 H5 C 1 H5 C 1 5.087 -0.677 -16.255
149 H6 C 1 H6 C 1 5.532 1.674 -16.646
150 2H2* C 1 1H2' C 1 4.028 4.718 -15.297
151 1H2* C 1 2H2' C 1 5.414 3.737 -15.797
152 1H5* C 2 1H5' C 2 1.567 6.620 -17.216
153 2H5* C 2 2H5' C 2 1.047 8.059 -16.325
154 H4* C 2 H4' C 2 -0.644 6.271 -16.451
155 H3* C 2 H3' C 2 0.067 7.632 -14.005
156 H1* C 2 H1' C 2 -1.192 4.139 -14.626
157 1H4 C 2 1H4 C 2 3.590 -0.249 -13.146
158 2H4 C 2 2H4 C 2 2.025 -1.064 -13.311
159 H5 C 2 H5 C 2 3.755 2.164 -13.333
160 H6 C 2 H6 C 2 2.499 4.171 -13.831
161 2H2* C 2 1H2' C 2 -0.880 5.429 -12.623
162 1H2* C 2 2H2' C 2 0.831 5.712 -12.953
163 1H5* T 3 1H5' T 3 -3.716 5.153 -14.803
164 2H5* T 3 2H5' T 3 -5.150 6.059 -14.298
165 H4* T 3 H4' T 3 -5.412 3.599 -14.311
166 H3* T 3 H3' T 3 -6.411 5.321 -12.324
167 1H2* T 3 2H2' T 3 -4.808 4.788 -10.762
168 2H2* T 3 1H2' T 3 -5.951 3.520 -10.295
169 H1* T 3 H1' T 3 -4.961 1.895 -11.744
170 H3 T 3 H3 T 3 -1.001 0.200 -10.215
171 1H5M T 3 1H5M T 3 -0.885 5.018 -8.301
172 2H5M T 3 2H5M T 3 0.625 4.445 -9.030
173 3H5M T 3 3H5M T 3 -0.450 5.506 -9.953
174 H6 T 3 H6 T 3 -2.817 4.653 -10.280
175 1H5* A 4 1H5' A 4 -7.069 0.810 -12.337
176 2H5* A 4 2H5' A 4 -8.776 0.450 -12.046
177 H4* A 4 H4' A 4 -7.427 -1.349 -11.243
178 H3* A 4 H3' A 4 -9.199 0.136 -9.440
179 H1* A 4 H1' A 4 -6.051 -1.938 -8.919
180 H8 A 4 H8 A 4 -5.580 1.636 -7.581
181 1H6 A 4 1H6 A 4 0.499 -0.121 -7.292
182 2H6 A 4 2H6 A 4 -0.499 1.302 -7.034
183 H2 A 4 H2 A 4 -1.933 -3.555 -8.066
184 2H2* A 4 1H2' A 4 -7.715 -1.014 -7.368
185 1H2* A 4 2H2' A 4 -7.467 0.622 -7.977
186 1H5* T 5 1H5' T 5 -7.558 -3.920 -8.662
187 2H5* T 5 2H5' T 5 -8.654 -5.046 -7.842
188 H4* T 5 H4' T 5 -6.497 -5.272 -6.871
189 H3* T 5 H3' T 5 -8.730 -4.384 -5.226
190 1H2* T 5 2H2' T 5 -7.682 -2.335 -5.079
191 2H2* T 5 1H2' T 5 -7.022 -2.971 -3.590
192 H1* T 5 H1' T 5 -5.135 -4.019 -4.903
193 H3 T 5 H3 T 5 -1.873 -1.000 -4.441
194 1H5M T 5 1H5M T 5 -5.515 1.406 -2.245
195 2H5M T 5 2H5M T 5 -5.149 2.460 -3.631
196 3H5M T 5 3H5M T 5 -6.657 1.539 -3.613
197 H6 T 5 H6 T 5 -6.639 -0.611 -4.556
198 1H5* T 6 1H5' T 6 -4.832 -6.577 -4.240
199 2H5* T 6 2H5' T 6 -5.381 -7.900 -3.202
200 H4* T 6 H4' T 6 -2.988 -7.610 -3.059
201 H3* T 6 H3' T 6 -4.770 -7.567 -0.763
202 1H2* T 6 2H2' T 6 -4.017 -5.661 0.231
203 2H2* T 6 1H2' T 6 -2.454 -6.437 0.486
204 H1* T 6 H1' T 6 -1.435 -5.493 -1.325
205 H3 T 6 H3 T 6 -1.377 -0.911 -1.004
206 1H5M T 6 1H5M T 6 -6.607 -2.515 -1.230
207 2H5M T 6 2H5M T 6 -6.183 -1.349 0.032
208 3H5M T 6 3H5M T 6 -6.135 -0.869 -1.671
209 H6 T 6 H6 T 6 -4.942 -4.138 -1.219
210 1H5* A 7 1H5' A 7 -0.405 -8.285 -0.224
211 2H5* A 7 2H5' A 7 -0.027 -9.678 0.806
212 H4* A 7 H4' A 7 1.522 -7.833 1.159
213 H3* A 7 H3' A 7 0.027 -9.080 3.312
214 H1* A 7 H1' A 7 1.302 -5.494 2.957
215 H8 A 7 H8 A 7 -2.620 -5.602 3.323
216 1H6 A 7 1H6 A 7 -2.262 0.449 1.804
217 2H6 A 7 2H6 A 7 -3.368 -0.819 2.320
218 H2 A 7 H2 A 7 1.830 -1.166 2.032
219 2H2* A 7 1H2' A 7 0.405 -6.779 4.795
220 1H2* A 7 2H2' A 7 -1.076 -7.155 3.893
221 1H5* A 8 1H5' A 8 4.216 -6.999 3.395
222 2H5* A 8 2H5' A 8 5.218 -7.958 4.493
223 H4* A 8 H4' A 8 6.071 -5.723 4.266
224 H3* A 8 H3' A 8 5.712 -6.972 6.732
225 H1* A 8 H1' A 8 4.774 -3.273 6.117
226 H8 A 8 H8 A 8 1.649 -5.643 6.393
227 1H6 A 8 1H6 A 8 -1.587 -0.434 5.229
228 2H6 A 8 2H6 A 8 -1.717 -2.144 5.626
229 H2 A 8 H2 A 8 2.737 0.569 5.211
230 2H2* A 8 1H2' A 8 4.849 -4.725 8.010
231 1H2* A 8 2H2' A 8 3.732 -5.885 7.277
232 1H5* A 9 1H5' A 9 8.119 -2.730 6.410
233 2H5* A 9 2H5' A 9 9.483 -2.962 7.514
234 H4* A 9 H4' A 9 8.891 -0.619 7.317
235 H3* A 9 H3' A 9 9.447 -1.811 9.730
236 H1* A 9 H1' A 9 6.418 0.498 9.321
237 H8 A 9 H8 A 9 5.309 -3.232 9.653
238 1H6 A 9 1H6 A 9 -0.393 -1.075 8.548
239 2H6 A 9 2H6 A 9 0.591 -2.501 8.865
240 H2 A 9 H2 A 9 2.458 2.333 8.156
241 2H2* A 9 1H2' A 9 7.377 -0.780 11.114
242 1H2* A 9 2H2' A 9 7.204 -2.307 10.251
243 1H5* T 10 1H5' T 10 8.130 2.737 9.744
244 2H5* T 10 2H5' T 10 9.020 3.640 10.980
245 H4* T 10 H4' T 10 6.719 4.446 10.613
246 H3* T 10 H3' T 10 7.805 3.869 13.234
247 1H2* T 10 2H2' T 10 6.258 2.281 13.741
248 2H2* T 10 1H2' T 10 5.192 3.644 14.096
249 H1* T 10 H1' T 10 4.261 3.688 11.899
250 H3 T 10 H3 T 10 1.182 0.335 11.486
251 1H5M T 10 1H5M T 10 5.791 -2.066 12.915
252 2H5M T 10 2H5M T 10 4.671 -2.094 14.295
253 3H5M T 10 3H5M T 10 4.270 -2.955 12.799
254 H6 T 10 H6 T 10 5.718 0.378 13.051
255 1H5* C 11 1H5' C 11 4.357 6.907 12.152
256 2H5* C 11 2H5' C 11 4.429 8.294 13.252
257 H4* C 11 H4' C 11 2.170 7.876 12.397
258 H3* C 11 H3' C 11 2.800 8.265 15.142
259 H1* C 11 H1' C 11 0.133 5.789 13.719
260 1H4 C 11 1H4 C 11 3.096 0.001 15.397
261 2H4 C 11 2H4 C 11 1.419 -0.271 14.889
262 H5 C 11 H5 C 11 3.969 2.285 15.522
263 H6 C 11 H6 C 11 3.424 4.614 15.113
264 2H2* C 11 1H2' C 11 0.498 6.820 15.787
265 1H2* C 11 2H2' C 11 2.152 6.223 15.930
266 1H5* C 12 1H5' C 12 -1.153 8.478 16.347
267 2H5* C 12 2H5' C 12 -1.406 10.058 17.107
268 H4* C 12 H4' C 12 -1.648 8.227 18.732
269 H3* C 12 H3' C 12 -0.105 10.517 19.241
270 H1* C 12 H1' C 12 0.778 7.058 20.274
271 1H4 C 12 1H4 C 12 5.738 4.547 16.586
272 2H4 C 12 2H4 C 12 4.859 3.242 17.483
273 H5 C 12 H5 C 12 5.109 6.878 16.950
274 H6 C 12 H6 C 12 3.396 8.300 17.864
275 2H2* C 12 1H2' C 12 1.853 9.176 20.556
276 1H2* C 12 2H2' C 12 1.940 9.466 18.794
Start of MODEL 15
1 1H5* C 1 1H5' C 1 -4.400 -2.334 -22.349
2 2H5* C 1 2H5' C 1 -5.291 -3.860 -22.166
3 H4* C 1 H4' C 1 -3.005 -4.234 -21.567
4 H3* C 1 H3' C 1 -5.080 -4.743 -19.653
5 H1* C 1 H1' C 1 -1.487 -3.551 -19.018
6 1H4 C 1 1H4 C 1 -1.826 2.149 -15.545
7 2H4 C 1 2H4 C 1 -0.634 2.452 -16.791
8 H5 C 1 H5 C 1 -3.822 1.269 -17.622
9 H6 C 1 H6 C 1 -4.222 -0.922 -18.642
10 2H2* C 1 1H2' C 1 -3.233 -4.397 -17.622
11 1H2* C 1 2H2' C 1 -4.373 -3.117 -18.138
12 H3 C 1 H3 C 1 0.058 0.124 -16.671
13 1H5* C 2 1H5' C 2 -0.788 -6.251 -19.104
14 2H5* C 2 2H5' C 2 -0.855 -7.940 -18.562
15 H4* C 2 H4' C 2 1.099 -6.751 -17.697
16 H3* C 2 H3' C 2 -0.724 -8.211 -16.008
17 H1* C 2 H1' C 2 1.272 -4.984 -15.185
18 1H4 C 2 1H4 C 2 -3.346 -0.646 -13.022
19 2H4 C 2 2H4 C 2 -2.389 0.279 -14.137
20 H5 C 2 H5 C 2 -3.808 -2.789 -15.059
21 H6 C 2 H6 C 2 -2.502 -4.770 -15.648
22 2H2* C 2 1H2' C 2 0.186 -6.639 -13.892
23 1H2* C 2 2H2' C 2 -1.379 -6.409 -14.719
24 H3 C 2 H3 C 2 -0.384 -0.961 -13.563
25 1H5* A 3 1H5' A 3 3.478 -7.015 -14.670
26 2H5* A 3 2H5' A 3 4.285 -8.346 -13.833
27 H4* A 3 H4' A 3 4.828 -5.916 -13.229
28 H3* A 3 H3' A 3 4.755 -8.193 -11.423
29 H1* A 3 H1' A 3 3.986 -4.485 -10.895
30 H8 A 3 H8 A 3 0.968 -6.720 -10.064
31 1H6 A 3 1H6 A 3 -2.126 -1.391 -11.133
32 2H6 A 3 2H6 A 3 -2.348 -3.124 -10.915
33 H2 A 3 H2 A 3 2.110 -0.453 -10.409
34 2H2* A 3 1H2' A 3 4.420 -6.305 -9.400
35 1H2* A 3 2H2' A 3 3.104 -7.273 -10.023
36 1H5* T 4 1H5' T 4 6.508 -4.111 -10.817
37 2H5* T 4 2H5' T 4 8.101 -4.101 -10.051
38 H4* T 4 H4' T 4 6.832 -2.102 -9.497
39 H3* T 4 H3' T 4 7.876 -3.915 -7.444
40 1H2* T 4 2H2' T 4 5.871 -4.131 -6.384
41 2H2* T 4 1H2' T 4 6.095 -2.511 -5.754
42 H1* T 4 H1' T 4 4.881 -1.459 -7.553
43 H3 T 4 H3 T 4 0.433 -2.199 -6.715
44 1H5M T 4 1H5M T 4 2.744 -7.098 -7.081
45 2H5M T 4 2H5M T 4 2.119 -6.792 -5.449
46 3H5M T 4 3H5M T 4 1.006 -6.897 -6.824
47 H6 T 4 H6 T 4 4.155 -5.222 -7.014
48 1H5* A 5 1H5' A 5 7.215 0.563 -7.033
49 2H5* A 5 2H5' A 5 8.450 1.340 -6.028
50 H4* A 5 H4' A 5 6.243 2.409 -5.886
51 H3* A 5 H3' A 5 7.802 1.565 -3.570
52 H1* A 5 H1' A 5 4.030 1.864 -4.079
53 H8 A 5 H8 A 5 5.117 -1.908 -3.575
54 1H6 A 5 1H6 A 5 -1.060 -2.895 -4.240
55 2H6 A 5 2H6 A 5 0.420 -3.710 -3.778
56 H2 A 5 H2 A 5 -0.292 1.426 -4.270
57 2H2* A 5 1H2' A 5 5.429 1.628 -2.134
58 1H2* A 5 2H2' A 5 6.174 0.148 -2.776
59 1H5* A 6 1H5' A 6 4.967 5.276 -4.125
60 2H5* A 6 2H5' A 6 5.597 6.605 -3.142
61 H4* A 6 H4' A 6 3.203 6.770 -3.679
62 H3* A 6 H3' A 6 4.303 7.452 -1.239
63 H1* A 6 H1' A 6 1.099 5.302 -1.485
64 H8 A 6 H8 A 6 4.304 3.183 -0.592
65 1H6 A 6 1H6 A 6 0.356 -1.623 -0.884
66 2H6 A 6 2H6 A 6 2.023 -1.146 -0.578
67 H2 A 6 H2 A 6 -1.942 2.100 -1.614
68 2H2* A 6 1H2' A 6 2.339 6.321 0.227
69 1H2* A 6 2H2' A 6 3.790 5.417 -0.092
70 1H5* T 7 1H5' T 7 -0.285 7.636 -1.869
71 2H5* T 7 2H5' T 7 -1.032 9.072 -1.154
72 H4* T 7 H4' T 7 -2.446 7.032 -1.135
73 H3* T 7 H3' T 7 -2.073 8.778 1.127
74 1H2* T 7 2H2' T 7 -1.155 7.159 2.519
75 2H2* T 7 1H2' T 7 -2.775 6.600 2.724
76 H1* T 7 H1' T 7 -2.739 5.042 0.956
77 H3 T 7 H3 T 7 -0.431 1.381 2.345
78 1H5M T 7 1H5M T 7 3.537 4.013 2.718
79 2H5M T 7 2H5M T 7 2.916 5.667 2.755
80 3H5M T 7 3H5M T 7 2.802 4.638 4.201
81 H6 T 7 H6 T 7 0.579 6.049 2.403
82 1H5* T 8 1H5' T 8 -5.258 5.520 1.171
83 2H5* T 8 2H5' T 8 -6.804 6.052 1.853
84 H4* T 8 H4' T 8 -6.305 3.802 2.579
85 H3* T 8 H3' T 8 -6.739 5.947 4.488
86 1H2* T 8 2H2' T 8 -4.655 5.699 5.419
87 2H2* T 8 1H2' T 8 -5.420 4.394 6.348
88 H1* T 8 H1' T 8 -4.841 2.742 4.668
89 H3 T 8 H3 T 8 -0.533 1.342 5.153
90 1H5M T 8 1H5M T 8 -0.181 6.284 6.719
91 2H5M T 8 2H5M T 8 1.110 5.694 5.667
92 3H5M T 8 3H5M T 8 -0.205 6.656 4.982
93 H6 T 8 H6 T 8 -2.498 5.722 5.150
94 1H5* T 9 1H5' T 9 -7.668 1.315 5.546
95 2H5* T 9 2H5' T 9 -8.985 1.321 6.729
96 H4* T 9 H4' T 9 -7.406 -0.549 7.089
97 H3* T 9 H3' T 9 -7.999 1.478 9.167
98 1H2* T 9 2H2' T 9 -5.896 1.599 9.998
99 2H2* T 9 1H2' T 9 -5.931 -0.177 10.368
100 H1* T 9 H1' T 9 -4.848 -0.690 8.374
101 H3 T 9 H3 T 9 -0.592 0.970 8.480
102 1H5M T 9 1H5M T 9 -1.992 5.420 8.229
103 2H5M T 9 2H5M T 9 -3.666 5.274 7.681
104 3H5M T 9 3H5M T 9 -3.297 5.256 9.411
105 H6 T 9 H6 T 9 -4.853 3.180 8.137
106 1H5* A 10 1H5' A 10 -7.395 -3.037 10.681
107 2H5* A 10 2H5' A 10 -8.542 -3.337 11.999
108 H4* A 10 H4' A 10 -6.264 -4.281 12.351
109 H3* A 10 H3' A 10 -7.762 -2.910 14.344
110 H1* A 10 H1' A 10 -4.013 -2.853 13.826
111 H8 A 10 H8 A 10 -5.292 0.724 13.790
112 1H6 A 10 1H6 A 10 0.308 2.087 11.348
113 2H6 A 10 2H6 A 10 -1.008 2.779 12.281
114 H2 A 10 H2 A 10 -0.194 -2.302 11.385
115 2H2* A 10 1H2' A 10 -5.495 -1.923 15.504
116 1H2* A 10 2H2' A 10 -6.428 -1.037 14.270
117 1H5* C 11 1H5' C 11 -4.132 -5.831 15.244
118 2H5* C 11 2H5' C 11 -4.127 -6.438 16.908
119 H4* C 11 H4' C 11 -1.891 -6.042 15.820
120 H3* C 11 H3' C 11 -2.465 -5.467 18.534
121 H1* C 11 H1' C 11 -0.263 -3.487 16.183
122 1H4 C 11 1H4 C 11 -2.968 2.270 14.510
123 2H4 C 11 2H4 C 11 -1.511 2.778 15.259
124 H5 C 11 H5 C 11 -4.026 0.556 16.568
125 H6 C 11 H6 C 11 -3.610 -1.816 16.993
126 2H2* C 11 1H2' C 11 -0.754 -3.318 18.538
127 1H2* C 11 2H2' C 11 -2.511 -3.144 18.227
128 H3 C 11 H3 C 11 -0.262 0.913 14.848
129 1H5* C 12 1H5' C 12 1.845 -4.663 16.790
130 2H5* C 12 2H5' C 12 2.791 -5.743 17.832
131 H4* C 12 H4' C 12 4.266 -4.032 17.174
132 H3* C 12 H3' C 12 3.619 -4.303 19.961
133 H1* C 12 H1' C 12 4.504 -1.132 18.024
134 1H4 C 12 1H4 C 12 -0.805 2.974 17.983
135 2H4 C 12 2H4 C 12 0.215 3.639 19.290
136 H5 C 12 H5 C 12 -0.795 0.302 18.472
137 H6 C 12 H6 C 12 0.779 -1.565 18.296
138 2H2* C 12 1H2' C 12 4.304 -1.659 20.362
139 1H2* C 12 2H2' C 12 2.597 -2.207 20.145
140 H3 C 12 H3 C 12 2.402 2.956 18.755
141 1H5* C 1 1H5' C 1 6.945 4.002 -19.392
142 2H5* C 1 2H5' C 1 7.510 5.419 -18.486
143 H4* C 1 H4' C 1 5.134 5.580 -18.834
144 H3* C 1 H3' C 1 6.281 5.788 -16.260
145 H1* C 1 H1' C 1 2.964 4.256 -17.131
146 1H4 C 1 1H4 C 1 3.257 -2.389 -16.263
147 2H4 C 1 2H4 C 1 1.618 -1.824 -16.647
148 H5 C 1 H5 C 1 5.109 -0.726 -16.219
149 H6 C 1 H6 C 1 5.610 1.635 -16.509
150 2H2* C 1 1H2' C 1 4.134 4.630 -15.045
151 1H2* C 1 2H2' C 1 5.526 3.667 -15.569
152 1H5* C 2 1H5' C 2 1.740 6.639 -16.873
153 2H5* C 2 2H5' C 2 1.213 8.033 -15.916
154 H4* C 2 H4' C 2 -0.484 6.261 -16.146
155 H3* C 2 H3' C 2 0.216 7.488 -13.625
156 H1* C 2 H1' C 2 -1.062 4.055 -14.444
157 1H4 C 2 1H4 C 2 3.610 -0.497 -13.081
158 2H4 C 2 2H4 C 2 2.029 -1.264 -13.325
159 H5 C 2 H5 C 2 3.830 1.925 -13.183
160 H6 C 2 H6 C 2 2.622 3.977 -13.610
161 2H2* C 2 1H2' C 2 -0.738 5.219 -12.363
162 1H2* C 2 2H2' C 2 0.974 5.510 -12.682
163 1H5* T 3 1H5' T 3 -3.616 5.135 -14.663
164 2H5* T 3 2H5' T 3 -5.023 6.063 -14.127
165 H4* T 3 H4' T 3 -5.377 3.618 -14.354
166 H3* T 3 H3' T 3 -6.460 5.221 -12.354
167 1H2* T 3 2H2' T 3 -4.895 4.665 -10.750
168 2H2* T 3 1H2' T 3 -6.067 3.405 -10.336
169 H1* T 3 H1' T 3 -5.048 1.779 -11.746
170 H3 T 3 H3 T 3 -1.112 0.053 -10.202
171 1H5M T 3 1H5M T 3 -0.631 5.388 -9.807
172 2H5M T 3 2H5M T 3 -0.954 4.784 -8.170
173 3H5M T 3 3H5M T 3 0.526 4.306 -9.019
174 H6 T 3 H6 T 3 -2.920 4.511 -10.229
175 1H5* A 4 1H5' A 4 -7.108 0.688 -12.473
176 2H5* A 4 2H5' A 4 -8.820 0.321 -12.224
177 H4* A 4 H4' A 4 -7.492 -1.481 -11.400
178 H3* A 4 H3' A 4 -9.296 -0.006 -9.619
179 H1* A 4 H1' A 4 -6.167 -2.094 -9.065
180 H8 A 4 H8 A 4 -5.709 1.441 -7.622
181 1H6 A 4 1H6 A 4 0.360 -0.348 -7.282
182 2H6 A 4 2H6 A 4 -0.623 1.084 -7.028
183 H2 A 4 H2 A 4 -2.069 -3.746 -8.141
184 2H2* A 4 1H2' A 4 -7.853 -1.168 -7.528
185 1H2* A 4 2H2' A 4 -7.586 0.468 -8.132
186 1H5* T 5 1H5' T 5 -7.701 -4.102 -8.896
187 2H5* T 5 2H5' T 5 -8.801 -5.229 -8.083
188 H4* T 5 H4' T 5 -6.612 -5.476 -7.164
189 H3* T 5 H3' T 5 -8.836 -4.692 -5.464
190 1H2* T 5 2H2' T 5 -7.822 -2.626 -5.244
191 2H2* T 5 1H2' T 5 -7.131 -3.310 -3.788
192 H1* T 5 H1' T 5 -5.249 -4.281 -5.165
193 H3 T 5 H3 T 5 -2.033 -1.292 -4.439
194 1H5M T 5 1H5M T 5 -5.767 1.000 -2.294
195 2H5M T 5 2H5M T 5 -5.335 2.127 -3.600
196 3H5M T 5 3H5M T 5 -6.845 1.216 -3.704
197 H6 T 5 H6 T 5 -6.788 -0.888 -4.755
198 1H5* T 6 1H5' T 6 -4.819 -6.640 -4.542
199 2H5* T 6 2H5' T 6 -5.254 -8.052 -3.569
200 H4* T 6 H4' T 6 -2.896 -7.522 -3.388
201 H3* T 6 H3' T 6 -4.672 -7.893 -1.153
202 1H2* T 6 2H2' T 6 -4.362 -5.836 -0.209
203 2H2* T 6 1H2' T 6 -2.804 -6.447 0.357
204 H1* T 6 H1' T 6 -1.591 -5.543 -1.449
205 H3 T 6 H3 T 6 -1.484 -1.007 -0.755
206 1H5M T 6 1H5M T 6 -6.666 -2.461 -0.514
207 2H5M T 6 2H5M T 6 -6.188 -0.761 -0.475
208 3H5M T 6 3H5M T 6 -6.426 -1.579 -2.029
209 H6 T 6 H6 T 6 -5.082 -4.120 -1.474
210 1H5* A 7 1H5' A 7 -0.193 -7.892 -0.575
211 2H5* A 7 2H5' A 7 0.333 -9.317 0.340
212 H4* A 7 H4' A 7 1.721 -7.405 0.853
213 H3* A 7 H3' A 7 0.285 -8.877 2.915
214 H1* A 7 H1' A 7 1.409 -5.249 2.748
215 H8 A 7 H8 A 7 -2.506 -5.462 3.134
216 1H6 A 7 1H6 A 7 -2.248 0.659 1.893
217 2H6 A 7 2H6 A 7 -3.342 -0.643 2.335
218 H2 A 7 H2 A 7 1.863 -0.880 2.142
219 2H2* A 7 1H2' A 7 0.550 -6.648 4.533
220 1H2* A 7 2H2' A 7 -0.913 -7.034 3.603
221 1H5* A 8 1H5' A 8 4.396 -6.574 3.232
222 2H5* A 8 2H5' A 8 5.403 -7.566 4.297
223 H4* A 8 H4' A 8 6.158 -5.288 4.289
224 H3* A 8 H3' A 8 5.713 -6.741 6.635
225 H1* A 8 H1' A 8 4.713 -3.038 6.226
226 H8 A 8 H8 A 8 1.626 -5.472 6.226
227 1H6 A 8 1H6 A 8 -1.662 -0.252 5.261
228 2H6 A 8 2H6 A 8 -1.777 -1.985 5.555
229 H2 A 8 H2 A 8 2.643 0.817 5.465
230 2H2* A 8 1H2' A 8 4.725 -4.616 8.027
231 1H2* A 8 2H2' A 8 3.682 -5.746 7.155
232 1H5* A 9 1H5' A 9 8.130 -2.469 6.750
233 2H5* A 9 2H5' A 9 9.405 -2.774 7.939
234 H4* A 9 H4' A 9 8.831 -0.424 7.834
235 H3* A 9 H3' A 9 9.199 -1.759 10.211
236 H1* A 9 H1' A 9 6.197 0.578 9.711
237 H8 A 9 H8 A 9 5.121 -3.183 9.718
238 1H6 A 9 1H6 A 9 -0.554 -0.987 8.538
239 2H6 A 9 2H6 A 9 0.421 -2.420 8.855
240 H2 A 9 H2 A 9 2.315 2.430 8.338
241 2H2* A 9 1H2' A 9 7.030 -0.801 11.497
242 1H2* A 9 2H2' A 9 6.940 -2.267 10.533
243 1H5* T 10 1H5' T 10 8.471 3.103 10.376
244 2H5* T 10 2H5' T 10 9.202 3.709 11.867
245 H4* T 10 H4' T 10 7.157 4.957 11.158
246 H3* T 10 H3' T 10 7.486 3.762 13.842
247 1H2* T 10 2H2' T 10 5.351 3.151 14.180
248 2H2* T 10 1H2' T 10 4.698 4.701 13.640
249 H1* T 10 H1' T 10 4.200 4.104 11.590
250 H3 T 10 H3 T 10 1.445 0.484 11.761
251 1H5M T 10 1H5M T 10 5.553 -2.076 12.992
252 2H5M T 10 2H5M T 10 6.124 -0.910 14.189
253 3H5M T 10 3H5M T 10 4.610 -1.791 14.462
254 H6 T 10 H6 T 10 5.982 1.203 13.159
255 1H5* C 11 1H5' C 11 4.871 7.348 12.946
256 2H5* C 11 2H5' C 11 4.852 8.643 14.156
257 H4* C 11 H4' C 11 2.646 8.226 13.091
258 H3* C 11 H3' C 11 3.086 8.482 15.892
259 H1* C 11 H1' C 11 0.580 6.055 14.163
260 1H4 C 11 1H4 C 11 3.453 0.213 15.756
261 2H4 C 11 2H4 C 11 1.840 -0.099 15.108
262 H5 C 11 H5 C 11 4.239 2.464 16.143
263 H6 C 11 H6 C 11 3.738 4.797 15.805
264 2H2* C 11 1H2' C 11 0.783 6.964 16.309
265 1H2* C 11 2H2' C 11 2.440 6.398 16.529
266 1H5* C 12 1H5' C 12 -0.857 8.596 16.927
267 2H5* C 12 2H5' C 12 -1.160 10.139 17.745
268 H4* C 12 H4' C 12 -1.398 8.253 19.298
269 H3* C 12 H3' C 12 0.151 10.529 19.904
270 H1* C 12 H1' C 12 0.931 7.034 20.849
271 1H4 C 12 1H4 C 12 5.944 4.495 17.276
272 2H4 C 12 2H4 C 12 5.034 3.208 18.161
273 H5 C 12 H5 C 12 5.412 6.848 17.731
274 H6 C 12 H6 C 12 3.680 8.282 18.593
275 2H2* C 12 1H2' C 12 2.049 9.123 21.237
276 1H2* C 12 2H2' C 12 2.195 9.460 19.487
Start of MODEL 16
1 1H5* C 1 1H5' C 1 -4.985 -2.631 -22.114
2 2H5* C 1 2H5' C 1 -5.821 -4.172 -21.828
3 H4* C 1 H4' C 1 -3.494 -4.477 -21.375
4 H3* C 1 H3' C 1 -5.415 -4.986 -19.318
5 H1* C 1 H1' C 1 -1.833 -3.668 -18.939
6 1H4 C 1 1H4 C 1 -2.150 2.131 -15.633
7 2H4 C 1 2H4 C 1 -1.007 2.406 -16.930
8 H5 C 1 H5 C 1 -4.191 1.167 -17.651
9 H6 C 1 H6 C 1 -4.588 -1.065 -18.583
10 2H2* C 1 1H2' C 1 -3.473 -4.502 -17.410
11 1H2* C 1 2H2' C 1 -4.674 -3.271 -17.912
12 H3 C 1 H3 C 1 -0.283 0.084 -16.729
13 1H5* C 2 1H5' C 2 -1.033 -6.282 -18.928
14 2H5* C 2 2H5' C 2 -1.017 -7.966 -18.364
15 H4* C 2 H4' C 2 0.928 -6.717 -17.588
16 H3* C 2 H3' C 2 -0.811 -8.165 -15.793
17 H1* C 2 H1' C 2 1.176 -4.882 -15.144
18 1H4 C 2 1H4 C 2 -3.410 -0.558 -12.904
19 2H4 C 2 2H4 C 2 -2.545 0.334 -14.116
20 H5 C 2 H5 C 2 -3.936 -2.778 -14.873
21 H6 C 2 H6 C 2 -2.619 -4.759 -15.448
22 2H2* C 2 1H2' C 2 0.216 -6.534 -13.761
23 1H2* C 2 2H2' C 2 -1.407 -6.353 -14.486
24 H3 C 2 H3 C 2 -0.494 -0.855 -13.551
25 1H5* A 3 1H5' A 3 3.428 -6.915 -14.663
26 2H5* A 3 2H5' A 3 4.288 -8.231 -13.856
27 H4* A 3 H4' A 3 4.840 -5.808 -13.273
28 H3* A 3 H3' A 3 4.811 -8.075 -11.458
29 H1* A 3 H1' A 3 4.061 -4.369 -10.919
30 H8 A 3 H8 A 3 1.067 -6.573 -9.934
31 1H6 A 3 1H6 A 3 -2.071 -1.284 -11.092
32 2H6 A 3 2H6 A 3 -2.285 -3.011 -10.820
33 H2 A 3 H2 A 3 2.179 -0.321 -10.529
34 2H2* A 3 1H2' A 3 4.510 -6.197 -9.429
35 1H2* A 3 2H2' A 3 3.180 -7.158 -10.040
36 1H5* T 4 1H5' T 4 6.619 -3.989 -10.877
37 2H5* T 4 2H5' T 4 8.216 -4.004 -10.117
38 H4* T 4 H4' T 4 6.977 -1.993 -9.543
39 H3* T 4 H3' T 4 8.016 -3.833 -7.514
40 1H2* T 4 2H2' T 4 6.018 -4.041 -6.439
41 2H2* T 4 1H2' T 4 6.264 -2.430 -5.795
42 H1* T 4 H1' T 4 5.042 -1.349 -7.571
43 H3 T 4 H3 T 4 0.584 -2.063 -6.793
44 1H5M T 4 1H5M T 4 2.555 -6.757 -5.683
45 2H5M T 4 2H5M T 4 1.065 -6.735 -6.638
46 3H5M T 4 3H5M T 4 2.624 -6.942 -7.447
47 H6 T 4 H6 T 4 4.287 -5.112 -7.048
48 1H5* A 5 1H5' A 5 7.417 0.665 -7.053
49 2H5* A 5 2H5' A 5 8.683 1.402 -6.057
50 H4* A 5 H4' A 5 6.518 2.530 -5.866
51 H3* A 5 H3' A 5 8.074 1.605 -3.587
52 H1* A 5 H1' A 5 4.292 1.985 -4.024
53 H8 A 5 H8 A 5 5.348 -1.803 -3.598
54 1H6 A 5 1H6 A 5 -0.829 -2.761 -4.282
55 2H6 A 5 2H6 A 5 0.646 -3.578 -3.804
56 H2 A 5 H2 A 5 -0.045 1.557 -4.317
57 2H2* A 5 1H2' A 5 5.726 1.673 -2.117
58 1H2* A 5 2H2' A 5 6.431 0.198 -2.810
59 1H5* A 6 1H5' A 6 5.332 5.377 -4.045
60 2H5* A 6 2H5' A 6 5.966 6.678 -3.028
61 H4* A 6 H4' A 6 3.576 6.865 -3.588
62 H3* A 6 H3' A 6 4.651 7.507 -1.126
63 H1* A 6 H1' A 6 1.444 5.372 -1.436
64 H8 A 6 H8 A 6 4.635 3.218 -0.575
65 1H6 A 6 1H6 A 6 0.654 -1.556 -0.911
66 2H6 A 6 2H6 A 6 2.328 -1.090 -0.626
67 H2 A 6 H2 A 6 -1.629 2.204 -1.551
68 2H2* A 6 1H2' A 6 2.676 6.357 0.307
69 1H2* A 6 2H2' A 6 4.125 5.449 -0.022
70 1H5* T 7 1H5' T 7 0.080 7.662 -1.800
71 2H5* T 7 2H5' T 7 -0.685 9.089 -1.086
72 H4* T 7 H4' T 7 -2.092 7.050 -1.098
73 H3* T 7 H3' T 7 -1.734 8.759 1.199
74 1H2* T 7 2H2' T 7 -0.849 7.107 2.573
75 2H2* T 7 1H2' T 7 -2.476 6.550 2.740
76 H1* T 7 H1' T 7 -2.418 5.031 0.938
77 H3 T 7 H3 T 7 -0.148 1.327 2.279
78 1H5M T 7 1H5M T 7 3.829 3.933 2.753
79 2H5M T 7 2H5M T 7 3.212 5.589 2.822
80 3H5M T 7 3H5M T 7 3.077 4.527 4.241
81 H6 T 7 H6 T 7 0.882 5.989 2.448
82 1H5* T 8 1H5' T 8 -4.960 5.527 1.160
83 2H5* T 8 2H5' T 8 -6.505 6.076 1.830
84 H4* T 8 H4' T 8 -6.050 3.812 2.545
85 H3* T 8 H3' T 8 -6.456 5.954 4.467
86 1H2* T 8 2H2' T 8 -4.400 5.655 5.428
87 2H2* T 8 1H2' T 8 -5.191 4.342 6.322
88 H1* T 8 H1' T 8 -4.607 2.710 4.633
89 H3 T 8 H3 T 8 -0.300 1.278 5.089
90 1H5M T 8 1H5M T 8 0.074 6.579 4.997
91 2H5M T 8 2H5M T 8 0.037 6.208 6.734
92 3H5M T 8 3H5M T 8 1.359 5.608 5.726
93 H6 T 8 H6 T 8 -2.248 5.666 5.171
94 1H5* T 9 1H5' T 9 -7.495 1.346 5.513
95 2H5* T 9 2H5' T 9 -8.821 1.386 6.685
96 H4* T 9 H4' T 9 -7.299 -0.518 7.081
97 H3* T 9 H3' T 9 -7.784 1.581 9.136
98 1H2* T 9 2H2' T 9 -5.697 1.542 10.012
99 2H2* T 9 1H2' T 9 -5.813 -0.246 10.300
100 H1* T 9 H1' T 9 -4.714 -0.714 8.323
101 H3 T 9 H3 T 9 -0.445 0.911 8.364
102 1H5M T 9 1H5M T 9 -3.135 5.197 9.426
103 2H5M T 9 2H5M T 9 -1.804 5.376 8.275
104 3H5M T 9 3H5M T 9 -3.468 5.255 7.689
105 H6 T 9 H6 T 9 -4.695 3.164 8.169
106 1H5* A 10 1H5' A 10 -7.535 -2.986 10.637
107 2H5* A 10 2H5' A 10 -8.705 -3.196 11.951
108 H4* A 10 H4' A 10 -6.504 -4.348 12.268
109 H3* A 10 H3' A 10 -7.931 -3.013 14.294
110 H1* A 10 H1' A 10 -4.154 -2.940 13.844
111 H8 A 10 H8 A 10 -5.455 0.621 13.824
112 1H6 A 10 1H6 A 10 0.094 2.018 11.271
113 2H6 A 10 2H6 A 10 -1.165 2.692 12.291
114 H2 A 10 H2 A 10 -0.438 -2.348 11.190
115 2H2* A 10 1H2' A 10 -5.682 -2.040 15.484
116 1H2* A 10 2H2' A 10 -6.590 -1.142 14.242
117 1H5* C 11 1H5' C 11 -4.278 -5.947 15.244
118 2H5* C 11 2H5' C 11 -4.335 -6.554 16.907
119 H4* C 11 H4' C 11 -2.058 -6.161 15.927
120 H3* C 11 H3' C 11 -2.765 -5.534 18.598
121 H1* C 11 H1' C 11 -0.461 -3.569 16.307
122 1H4 C 11 1H4 C 11 -3.184 2.154 14.506
123 2H4 C 11 2H4 C 11 -1.764 2.670 15.317
124 H5 C 11 H5 C 11 -4.272 0.436 16.587
125 H6 C 11 H6 C 11 -3.848 -1.931 17.018
126 2H2* C 11 1H2' C 11 -1.037 -3.390 18.636
127 1H2* C 11 2H2' C 11 -2.781 -3.225 18.270
128 H3 C 11 H3 C 11 -0.511 0.799 14.861
129 1H5* C 12 1H5' C 12 1.623 -4.780 17.082
130 2H5* C 12 2H5' C 12 2.539 -5.789 18.218
131 H4* C 12 H4' C 12 4.001 -4.063 17.572
132 H3* C 12 H3' C 12 3.188 -4.208 20.336
133 H1* C 12 H1' C 12 4.165 -1.166 18.258
134 1H4 C 12 1H4 C 12 -1.374 2.776 18.132
135 2H4 C 12 2H4 C 12 -0.174 3.672 19.120
136 H5 C 12 H5 C 12 -1.130 0.347 18.382
137 H6 C 12 H6 C 12 0.423 -1.544 18.412
138 2H2* C 12 1H2' C 12 3.845 -1.537 20.618
139 1H2* C 12 2H2' C 12 2.152 -2.109 20.347
140 H3 C 12 H3 C 12 2.086 2.977 18.618
141 1H5* C 1 1H5' C 1 6.357 3.754 -20.156
142 2H5* C 1 2H5' C 1 7.029 5.121 -19.247
143 H4* C 1 H4' C 1 4.623 5.360 -19.564
144 H3* C 1 H3' C 1 5.918 5.711 -17.101
145 H1* C 1 H1' C 1 2.542 4.127 -17.571
146 1H4 C 1 1H4 C 1 3.004 -2.466 -16.461
147 2H4 C 1 2H4 C 1 1.331 -1.920 -16.723
148 H5 C 1 H5 C 1 4.832 -0.780 -16.603
149 H6 C 1 H6 C 1 5.277 1.558 -17.066
150 2H2* C 1 1H2' C 1 3.898 4.623 -15.643
151 1H2* C 1 2H2' C 1 5.240 3.629 -16.230
152 1H5* C 2 1H5' C 2 1.338 6.559 -17.456
153 2H5* C 2 2H5' C 2 0.886 8.007 -16.542
154 H4* C 2 H4' C 2 -0.839 6.244 -16.592
155 H3* C 2 H3' C 2 -0.011 7.614 -14.194
156 H1* C 2 H1' C 2 -1.328 4.126 -14.709
157 1H4 C 2 1H4 C 2 3.475 -0.284 -13.341
158 2H4 C 2 2H4 C 2 1.895 -1.086 -13.415
159 H5 C 2 H5 C 2 3.657 2.118 -13.626
160 H6 C 2 H6 C 2 2.399 4.125 -14.128
161 2H2* C 2 1H2' C 2 -0.890 5.436 -12.739
162 1H2* C 2 2H2' C 2 0.801 5.696 -13.172
163 1H5* T 3 1H5' T 3 -3.825 5.141 -14.794
164 2H5* T 3 2H5' T 3 -5.235 6.059 -14.244
165 H4* T 3 H4' T 3 -5.499 3.597 -14.223
166 H3* T 3 H3' T 3 -6.411 5.348 -12.207
167 1H2* T 3 2H2' T 3 -4.801 4.768 -10.672
168 2H2* T 3 1H2' T 3 -5.945 3.501 -10.214
169 H1* T 3 H1' T 3 -4.984 1.893 -11.698
170 H3 T 3 H3 T 3 -1.033 0.175 -10.183
171 1H5M T 3 1H5M T 3 -0.400 5.479 -10.091
172 2H5M T 3 2H5M T 3 -0.768 5.041 -8.410
173 3H5M T 3 3H5M T 3 0.700 4.428 -9.189
174 H6 T 3 H6 T 3 -2.769 4.656 -10.356
175 1H5* A 4 1H5' A 4 -7.143 0.867 -12.234
176 2H5* A 4 2H5' A 4 -8.847 0.521 -11.913
177 H4* A 4 H4' A 4 -7.492 -1.296 -11.154
178 H3* A 4 H3' A 4 -9.225 0.179 -9.302
179 H1* A 4 H1' A 4 -6.087 -1.928 -8.877
180 H8 A 4 H8 A 4 -5.564 1.594 -7.424
181 1H6 A 4 1H6 A 4 0.513 -0.220 -7.324
182 2H6 A 4 2H6 A 4 -0.459 1.213 -7.034
183 H2 A 4 H2 A 4 -1.981 -3.610 -8.101
184 2H2* A 4 1H2' A 4 -7.715 -1.016 -7.275
185 1H2* A 4 2H2' A 4 -7.464 0.627 -7.867
186 1H5* T 5 1H5' T 5 -7.623 -3.922 -8.679
187 2H5* T 5 2H5' T 5 -8.695 -5.059 -7.843
188 H4* T 5 H4' T 5 -6.478 -5.311 -6.992
189 H3* T 5 H3' T 5 -8.651 -4.540 -5.221
190 1H2* T 5 2H2' T 5 -7.628 -2.479 -5.008
191 2H2* T 5 1H2' T 5 -6.892 -3.182 -3.584
192 H1* T 5 H1' T 5 -5.057 -4.136 -5.026
193 H3 T 5 H3 T 5 -1.809 -1.153 -4.408
194 1H5M T 5 1H5M T 5 -5.457 1.125 -2.099
195 2H5M T 5 2H5M T 5 -5.072 2.264 -3.410
196 3H5M T 5 3H5M T 5 -6.585 1.356 -3.464
197 H6 T 5 H6 T 5 -6.574 -0.747 -4.520
198 1H5* T 6 1H5' T 6 -4.635 -6.588 -4.421
199 2H5* T 6 2H5' T 6 -5.067 -7.981 -3.419
200 H4* T 6 H4' T 6 -2.693 -7.499 -3.316
201 H3* T 6 H3' T 6 -4.412 -7.776 -1.014
202 1H2* T 6 2H2' T 6 -3.957 -5.760 -0.053
203 2H2* T 6 1H2' T 6 -2.369 -6.409 0.372
204 H1* T 6 H1' T 6 -1.279 -5.485 -1.475
205 H3 T 6 H3 T 6 -1.176 -0.941 -0.828
206 1H5M T 6 1H5M T 6 -5.861 -0.708 -0.385
207 2H5M T 6 2H5M T 6 -6.171 -1.588 -1.891
208 3H5M T 6 3H5M T 6 -6.325 -2.412 -0.333
209 H6 T 6 H6 T 6 -4.778 -4.089 -1.351
210 1H5* A 7 1H5' A 7 0.076 -7.999 -0.479
211 2H5* A 7 2H5' A 7 0.547 -9.417 0.476
212 H4* A 7 H4' A 7 1.967 -7.518 0.973
213 H3* A 7 H3' A 7 0.475 -8.931 3.034
214 H1* A 7 H1' A 7 1.647 -5.314 2.833
215 H8 A 7 H8 A 7 -2.272 -5.488 3.185
216 1H6 A 7 1H6 A 7 -1.974 0.614 1.870
217 2H6 A 7 2H6 A 7 -3.071 -0.673 2.352
218 H2 A 7 H2 A 7 2.131 -0.954 2.113
219 2H2* A 7 1H2' A 7 0.745 -6.681 4.621
220 1H2* A 7 2H2' A 7 -0.706 -7.065 3.672
221 1H5* A 8 1H5' A 8 4.608 -6.694 3.360
222 2H5* A 8 2H5' A 8 5.592 -7.673 4.459
223 H4* A 8 H4' A 8 6.375 -5.404 4.391
224 H3* A 8 H3' A 8 5.912 -6.797 6.767
225 H1* A 8 H1' A 8 4.938 -3.089 6.274
226 H8 A 8 H8 A 8 1.849 -5.520 6.303
227 1H6 A 8 1H6 A 8 -1.427 -0.312 5.232
228 2H6 A 8 2H6 A 8 -1.547 -2.040 5.546
229 H2 A 8 H2 A 8 2.874 0.754 5.443
230 2H2* A 8 1H2' A 8 4.961 -4.617 8.106
231 1H2* A 8 2H2' A 8 3.896 -5.763 7.278
232 1H5* A 9 1H5' A 9 8.319 -2.511 6.889
233 2H5* A 9 2H5' A 9 9.582 -2.798 8.095
234 H4* A 9 H4' A 9 8.931 -0.459 8.008
235 H3* A 9 H3' A 9 9.316 -1.809 10.377
236 H1* A 9 H1' A 9 6.307 0.468 9.866
237 H8 A 9 H8 A 9 5.177 -3.269 9.929
238 1H6 A 9 1H6 A 9 -0.426 -1.041 8.499
239 2H6 A 9 2H6 A 9 0.524 -2.480 8.855
240 H2 A 9 H2 A 9 2.479 2.345 8.341
241 2H2* A 9 1H2' A 9 7.105 -0.977 11.650
242 1H2* A 9 2H2' A 9 7.056 -2.401 10.624
243 1H5* T 10 1H5' T 10 8.344 2.979 10.516
244 2H5* T 10 2H5' T 10 9.038 3.646 12.000
245 H4* T 10 H4' T 10 6.952 4.785 11.247
246 H3* T 10 H3' T 10 7.330 3.711 13.965
247 1H2* T 10 2H2' T 10 5.260 2.870 14.250
248 2H2* T 10 1H2' T 10 4.504 4.411 13.833
249 H1* T 10 H1' T 10 4.074 3.968 11.698
250 H3 T 10 H3 T 10 1.200 0.416 11.724
251 1H5M T 10 1H5M T 10 5.949 -1.278 13.859
252 2H5M T 10 2H5M T 10 4.410 -1.997 14.368
253 3H5M T 10 3H5M T 10 5.085 -2.382 12.777
254 H6 T 10 H6 T 10 5.753 0.960 13.145
255 1H5* C 11 1H5' C 11 4.559 7.175 12.897
256 2H5* C 11 2H5' C 11 4.520 8.507 14.066
257 H4* C 11 H4' C 11 2.330 8.047 12.988
258 H3* C 11 H3' C 11 2.733 8.384 15.790
259 H1* C 11 H1' C 11 0.262 5.895 14.092
260 1H4 C 11 1H4 C 11 3.215 0.123 15.791
261 2H4 C 11 2H4 C 11 1.624 -0.215 15.098
262 H5 C 11 H5 C 11 3.954 2.401 16.174
263 H6 C 11 H6 C 11 3.390 4.721 15.846
264 2H2* C 11 1H2' C 11 0.417 6.879 16.204
265 1H2* C 11 2H2' C 11 2.068 6.323 16.483
266 1H5* C 12 1H5' C 12 -1.223 8.571 16.740
267 2H5* C 12 2H5' C 12 -1.532 10.133 17.517
268 H4* C 12 H4' C 12 -1.801 8.281 19.107
269 H3* C 12 H3' C 12 -0.262 10.567 19.692
270 H1* C 12 H1' C 12 0.502 7.090 20.722
271 1H4 C 12 1H4 C 12 5.602 4.487 17.330
272 2H4 C 12 2H4 C 12 4.679 3.217 18.223
273 H5 C 12 H5 C 12 5.049 6.848 17.709
274 H6 C 12 H6 C 12 3.287 8.294 18.487
275 2H2* C 12 1H2' C 12 1.615 9.186 21.084
276 1H2* C 12 2H2' C 12 1.788 9.488 19.329
Start of MODEL 17
1 1H5* C 1 1H5' C 1 -2.726 -2.938 -24.643
2 2H5* C 1 2H5' C 1 -3.628 -4.469 -24.649
3 H4* C 1 H4' C 1 -1.498 -4.851 -23.617
4 H3* C 1 H3' C 1 -3.910 -5.365 -22.167
5 H1* C 1 H1' C 1 -0.538 -4.110 -20.769
6 1H4 C 1 1H4 C 1 -1.972 1.381 -17.305
7 2H4 C 1 2H4 C 1 -0.571 1.853 -18.210
8 H5 C 1 H5 C 1 -3.303 0.624 -19.988
9 H6 C 1 H6 C 1 -3.292 -1.520 -21.174
10 2H2* C 1 1H2' C 1 -2.515 -5.010 -19.807
11 1H2* C 1 2H2' C 1 -3.554 -3.748 -20.539
12 H3 C 1 H3 C 1 0.170 -0.461 -17.984
13 1H5* C 2 1H5' C 2 0.134 -7.054 -20.679
14 2H5* C 2 2H5' C 2 -0.105 -8.669 -19.984
15 H4* C 2 H4' C 2 1.640 -7.246 -18.905
16 H3* C 2 H3' C 2 -0.234 -8.856 -17.468
17 H1* C 2 H1' C 2 1.158 -5.431 -16.444
18 1H4 C 2 1H4 C 2 -3.689 -0.945 -17.356
19 2H4 C 2 2H4 C 2 -2.879 -0.438 -15.897
20 H5 C 2 H5 C 2 -3.831 -3.457 -17.719
21 H6 C 2 H6 C 2 -2.414 -5.449 -17.774
22 2H2* C 2 1H2' C 2 -0.142 -7.116 -15.336
23 1H2* C 2 2H2' C 2 -1.421 -7.049 -16.583
24 H3 C 2 H3 C 2 -1.018 -1.527 -15.327
25 1H5* A 3 1H5' A 3 3.177 -6.595 -15.688
26 2H5* A 3 2H5' A 3 4.256 -7.770 -14.930
27 H4* A 3 H4' A 3 4.462 -5.381 -14.227
28 H3* A 3 H3' A 3 4.571 -7.693 -12.459
29 H1* A 3 H1' A 3 3.547 -4.065 -11.932
30 H8 A 3 H8 A 3 0.552 -6.418 -11.518
31 1H6 A 3 1H6 A 3 -2.514 -1.171 -10.239
32 2H6 A 3 2H6 A 3 -2.681 -2.903 -10.501
33 H2 A 3 H2 A 3 1.834 -0.288 -10.201
34 2H2* A 3 1H2' A 3 4.061 -5.875 -10.427
35 1H2* A 3 2H2' A 3 2.809 -6.905 -11.083
36 1H5* T 4 1H5' T 4 5.974 -3.443 -11.566
37 2H5* T 4 2H5' T 4 7.622 -3.469 -10.921
38 H4* T 4 H4' T 4 6.444 -1.553 -10.067
39 H3* T 4 H3' T 4 7.577 -3.581 -8.294
40 1H2* T 4 2H2' T 4 5.609 -3.960 -7.224
41 2H2* T 4 1H2' T 4 5.890 -2.480 -6.336
42 H1* T 4 H1' T 4 4.625 -1.117 -7.901
43 H3 T 4 H3 T 4 0.362 -1.980 -6.402
44 1H5M T 4 1H5M T 4 1.975 -6.629 -8.329
45 2H5M T 4 2H5M T 4 2.478 -6.779 -6.633
46 3H5M T 4 3H5M T 4 0.763 -6.609 -7.041
47 H6 T 4 H6 T 4 3.826 -4.883 -8.034
48 1H5* A 5 1H5' A 5 6.942 0.837 -7.368
49 2H5* A 5 2H5' A 5 8.295 1.479 -6.422
50 H4* A 5 H4' A 5 6.170 2.639 -6.021
51 H3* A 5 H3' A 5 7.880 1.579 -3.915
52 H1* A 5 H1' A 5 4.073 2.032 -4.041
53 H8 A 5 H8 A 5 5.149 -1.771 -3.946
54 1H6 A 5 1H6 A 5 -1.064 -2.689 -3.985
55 2H6 A 5 2H6 A 5 0.455 -3.539 -3.833
56 H2 A 5 H2 A 5 -0.277 1.612 -3.881
57 2H2* A 5 1H2' A 5 5.648 1.644 -2.268
58 1H2* A 5 2H2' A 5 6.277 0.184 -3.056
59 1H5* A 6 1H5' A 6 5.237 5.421 -4.035
60 2H5* A 6 2H5' A 6 5.923 6.674 -2.993
61 H4* A 6 H4' A 6 3.504 6.871 -3.448
62 H3* A 6 H3' A 6 4.699 7.415 -1.000
63 H1* A 6 H1' A 6 1.430 5.351 -1.313
64 H8 A 6 H8 A 6 4.631 3.136 -0.663
65 1H6 A 6 1H6 A 6 0.515 -1.532 -0.619
66 2H6 A 6 2H6 A 6 2.219 -1.110 -0.473
67 H2 A 6 H2 A 6 -1.719 2.292 -1.030
68 2H2* A 6 1H2' A 6 2.669 6.301 0.422
69 1H2* A 6 2H2' A 6 4.113 5.382 0.099
70 1H5* T 7 1H5' T 7 0.123 7.750 -1.522
71 2H5* T 7 2H5' T 7 -0.557 9.210 -0.787
72 H4* T 7 H4' T 7 -2.047 7.225 -0.745
73 H3* T 7 H3' T 7 -1.558 8.945 1.513
74 1H2* T 7 2H2' T 7 -0.671 7.296 2.887
75 2H2* T 7 1H2' T 7 -2.302 6.784 3.118
76 H1* T 7 H1' T 7 -2.348 5.225 1.362
77 H3 T 7 H3 T 7 -0.050 1.499 2.566
78 1H5M T 7 1H5M T 7 3.968 4.107 2.796
79 2H5M T 7 2H5M T 7 3.353 5.747 3.025
80 3H5M T 7 3H5M T 7 3.330 4.591 4.375
81 H6 T 7 H6 T 7 1.033 6.152 2.714
82 1H5* T 8 1H5' T 8 -4.880 5.810 1.629
83 2H5* T 8 2H5' T 8 -6.379 6.403 2.363
84 H4* T 8 H4' T 8 -5.944 4.127 3.068
85 H3* T 8 H3' T 8 -6.219 6.290 4.992
86 1H2* T 8 2H2' T 8 -4.153 5.935 5.903
87 2H2* T 8 1H2' T 8 -4.943 4.623 6.799
88 H1* T 8 H1' T 8 -4.436 2.999 5.095
89 H3 T 8 H3 T 8 -0.128 1.509 5.361
90 1H5M T 8 1H5M T 8 0.466 6.324 7.063
91 2H5M T 8 2H5M T 8 1.598 5.842 5.792
92 3H5M T 8 3H5M T 8 0.212 6.861 5.388
93 H6 T 8 H6 T 8 -2.017 5.921 5.550
94 1H5* T 9 1H5' T 9 -7.466 1.706 6.162
95 2H5* T 9 2H5' T 9 -8.704 1.870 7.416
96 H4* T 9 H4' T 9 -7.302 -0.122 7.793
97 H3* T 9 H3' T 9 -7.403 2.108 9.792
98 1H2* T 9 2H2' T 9 -5.315 1.770 10.612
99 2H2* T 9 1H2' T 9 -5.590 -0.013 10.782
100 H1* T 9 H1' T 9 -4.556 -0.430 8.795
101 H3 T 9 H3 T 9 -0.298 1.184 8.541
102 1H5M T 9 1H5M T 9 -3.460 5.552 8.320
103 2H5M T 9 2H5M T 9 -2.680 5.463 9.904
104 3H5M T 9 3H5M T 9 -1.701 5.655 8.443
105 H6 T 9 H6 T 9 -4.547 3.449 8.684
106 1H5* A 10 1H5' A 10 -7.780 -2.490 11.231
107 2H5* A 10 2H5' A 10 -8.844 -2.540 12.644
108 H4* A 10 H4' A 10 -6.873 -4.128 12.629
109 H3* A 10 H3' A 10 -7.951 -2.953 14.872
110 H1* A 10 H1' A 10 -4.154 -2.871 14.224
111 H8 A 10 H8 A 10 -5.544 0.651 14.353
112 1H6 A 10 1H6 A 10 -0.112 2.192 11.604
113 2H6 A 10 2H6 A 10 -1.352 2.829 12.674
114 H2 A 10 H2 A 10 -0.690 -2.132 11.253
115 2H2* A 10 1H2' A 10 -5.604 -2.133 15.964
116 1H2* A 10 2H2' A 10 -6.563 -1.119 14.865
117 1H5* C 11 1H5' C 11 -4.287 -6.017 15.411
118 2H5* C 11 2H5' C 11 -4.252 -6.709 17.041
119 H4* C 11 H4' C 11 -2.032 -6.247 15.948
120 H3* C 11 H3' C 11 -2.548 -5.821 18.689
121 H1* C 11 H1' C 11 -0.456 -3.634 16.433
122 1H4 C 11 1H4 C 11 -3.331 2.120 15.032
123 2H4 C 11 2H4 C 11 -1.861 2.598 15.750
124 H5 C 11 H5 C 11 -4.260 0.319 17.157
125 H6 C 11 H6 C 11 -3.796 -2.058 17.474
126 2H2* C 11 1H2' C 11 -0.942 -3.600 18.788
127 1H2* C 11 2H2' C 11 -2.707 -3.491 18.496
128 H3 C 11 H3 C 11 -0.671 0.753 15.122
129 1H5* C 12 1H5' C 12 1.711 -4.827 16.892
130 2H5* C 12 2H5' C 12 2.729 -5.869 17.905
131 H4* C 12 H4' C 12 4.102 -4.082 17.225
132 H3* C 12 H3' C 12 3.534 -4.397 20.032
133 H1* C 12 H1' C 12 4.258 -1.203 18.064
134 1H4 C 12 1H4 C 12 -1.213 2.706 18.281
135 2H4 C 12 2H4 C 12 -0.106 3.464 19.468
136 H5 C 12 H5 C 12 -1.053 0.077 18.767
137 H6 C 12 H6 C 12 0.565 -1.743 18.524
138 2H2* C 12 1H2' C 12 4.162 -1.730 20.411
139 1H2* C 12 2H2' C 12 2.464 -2.329 20.258
140 H3 C 12 H3 C 12 2.073 2.831 18.847
141 1H5* C 1 1H5' C 1 7.285 3.537 -18.414
142 2H5* C 1 2H5' C 1 7.613 4.943 -17.384
143 H4* C 1 H4' C 1 5.394 5.109 -18.300
144 H3* C 1 H3' C 1 5.870 5.287 -15.519
145 H1* C 1 H1' C 1 2.875 3.771 -17.201
146 1H4 C 1 1H4 C 1 3.134 -2.895 -16.674
147 2H4 C 1 2H4 C 1 1.696 -2.339 -17.557
148 H5 C 1 H5 C 1 4.766 -1.216 -15.868
149 H6 C 1 H6 C 1 5.256 1.158 -15.859
150 2H2* C 1 1H2' C 1 3.466 4.131 -14.894
151 1H2* C 1 2H2' C 1 4.954 3.178 -15.043
152 1H5* C 2 1H5' C 2 1.566 6.161 -17.156
153 2H5* C 2 2H5' C 2 0.829 7.514 -16.283
154 H4* C 2 H4' C 2 -0.788 5.744 -16.858
155 H3* C 2 H3' C 2 -0.399 6.728 -14.123
156 H1* C 2 H1' C 2 -1.607 3.456 -15.637
157 1H4 C 2 1H4 C 2 2.322 -1.284 -12.971
158 2H4 C 2 2H4 C 2 1.040 -1.975 -13.985
159 H5 C 2 H5 C 2 2.667 1.169 -13.041
160 H6 C 2 H6 C 2 1.679 3.258 -13.757
161 2H2* C 2 1H2' C 2 -1.954 4.415 -13.530
162 1H2* C 2 2H2' C 2 -0.234 4.641 -13.174
163 1H5* T 3 1H5' T 3 -4.317 4.626 -14.827
164 2H5* T 3 2H5' T 3 -5.710 5.617 -14.358
165 H4* T 3 H4' T 3 -5.880 3.209 -13.782
166 H3* T 3 H3' T 3 -6.563 5.365 -12.001
167 1H2* T 3 2H2' T 3 -4.924 4.872 -10.442
168 2H2* T 3 1H2' T 3 -6.070 3.667 -9.851
169 H1* T 3 H1' T 3 -5.182 1.939 -11.227
170 H3 T 3 H3 T 3 -1.295 0.346 -9.507
171 1H5M T 3 1H5M T 3 -0.697 5.487 -8.781
172 2H5M T 3 2H5M T 3 0.710 4.592 -9.379
173 3H5M T 3 3H5M T 3 -0.319 5.474 -10.516
174 H6 T 3 H6 T 3 -2.785 4.808 -10.519
175 1H5* A 4 1H5' A 4 -7.519 0.984 -11.659
176 2H5* A 4 2H5' A 4 -9.226 0.734 -11.265
177 H4* A 4 H4' A 4 -7.889 -1.133 -10.557
178 H3* A 4 H3' A 4 -9.564 0.371 -8.687
179 H1* A 4 H1' A 4 -6.452 -1.788 -8.280
180 H8 A 4 H8 A 4 -5.868 1.751 -6.891
181 1H6 A 4 1H6 A 4 0.184 -0.074 -6.973
182 2H6 A 4 2H6 A 4 -0.778 1.369 -6.692
183 H2 A 4 H2 A 4 -2.306 -3.488 -7.560
184 2H2* A 4 1H2' A 4 -8.050 -0.828 -6.668
185 1H2* A 4 2H2' A 4 -7.777 0.802 -7.285
186 1H5* T 5 1H5' T 5 -8.001 -3.750 -8.078
187 2H5* T 5 2H5' T 5 -9.069 -4.871 -7.218
188 H4* T 5 H4' T 5 -6.845 -5.151 -6.409
189 H3* T 5 H3' T 5 -8.968 -4.337 -4.596
190 1H2* T 5 2H2' T 5 -7.903 -2.290 -4.419
191 2H2* T 5 1H2' T 5 -7.157 -2.998 -3.002
192 H1* T 5 H1' T 5 -5.367 -3.998 -4.476
193 H3 T 5 H3 T 5 -2.049 -1.096 -3.835
194 1H5M T 5 1H5M T 5 -5.606 1.305 -1.557
195 2H5M T 5 2H5M T 5 -5.245 2.405 -2.906
196 3H5M T 5 3H5M T 5 -6.770 1.512 -2.895
197 H6 T 5 H6 T 5 -6.805 -0.574 -3.968
198 1H5* T 6 1H5' T 6 -4.987 -6.457 -3.911
199 2H5* T 6 2H5' T 6 -5.391 -7.840 -2.885
200 H4* T 6 H4' T 6 -3.008 -7.359 -2.896
201 H3* T 6 H3' T 6 -4.608 -7.690 -0.531
202 1H2* T 6 2H2' T 6 -4.185 -5.640 0.386
203 2H2* T 6 1H2' T 6 -2.594 -6.278 0.819
204 H1* T 6 H1' T 6 -1.523 -5.391 -1.078
205 H3 T 6 H3 T 6 -1.298 -0.866 -0.350
206 1H5M T 6 1H5M T 6 -5.964 -0.501 0.152
207 2H5M T 6 2H5M T 6 -6.355 -1.458 -1.287
208 3H5M T 6 3H5M T 6 -6.445 -2.192 0.321
209 H6 T 6 H6 T 6 -4.986 -3.918 -0.841
210 1H5* A 7 1H5' A 7 -0.070 -7.799 -0.196
211 2H5* A 7 2H5' A 7 0.452 -9.230 0.711
212 H4* A 7 H4' A 7 1.895 -7.347 1.174
213 H3* A 7 H3' A 7 0.490 -8.775 3.287
214 H1* A 7 H1' A 7 1.683 -5.170 3.065
215 H8 A 7 H8 A 7 -2.218 -5.297 3.590
216 1H6 A 7 1H6 A 7 -1.897 0.811 2.313
217 2H6 A 7 2H6 A 7 -2.986 -0.464 2.832
218 H2 A 7 H2 A 7 2.195 -0.812 2.369
219 2H2* A 7 1H2' A 7 0.847 -6.541 4.881
220 1H2* A 7 2H2' A 7 -0.649 -6.903 3.995
221 1H5* A 8 1H5' A 8 4.652 -6.565 3.486
222 2H5* A 8 2H5' A 8 5.674 -7.528 4.563
223 H4* A 8 H4' A 8 6.413 -5.238 4.469
224 H3* A 8 H3' A 8 6.037 -6.640 6.865
225 H1* A 8 H1' A 8 5.070 -2.951 6.370
226 H8 A 8 H8 A 8 1.936 -5.321 6.537
227 1H6 A 8 1H6 A 8 -1.280 -0.048 5.623
228 2H6 A 8 2H6 A 8 -1.419 -1.771 5.952
229 H2 A 8 H2 A 8 3.047 0.938 5.658
230 2H2* A 8 1H2' A 8 5.107 -4.467 8.227
231 1H2* A 8 2H2' A 8 4.026 -5.613 7.418
232 1H5* A 9 1H5' A 9 8.386 -2.340 6.823
233 2H5* A 9 2H5' A 9 9.708 -2.592 7.974
234 H4* A 9 H4' A 9 9.049 -0.258 7.866
235 H3* A 9 H3' A 9 9.548 -1.549 10.244
236 H1* A 9 H1' A 9 6.518 0.712 9.818
237 H8 A 9 H8 A 9 5.386 -3.025 9.950
238 1H6 A 9 1H6 A 9 -0.285 -0.745 8.890
239 2H6 A 9 2H6 A 9 0.670 -2.197 9.185
240 H2 A 9 H2 A 9 2.623 2.624 8.620
241 2H2* A 9 1H2' A 9 7.395 -0.670 11.595
242 1H2* A 9 2H2' A 9 7.289 -2.139 10.623
243 1H5* T 10 1H5' T 10 8.064 2.962 10.359
244 2H5* T 10 2H5' T 10 8.921 3.831 11.640
245 H4* T 10 H4' T 10 6.650 4.673 11.273
246 H3* T 10 H3' T 10 7.640 3.907 13.891
247 1H2* T 10 2H2' T 10 6.019 2.362 14.272
248 2H2* T 10 1H2' T 10 4.979 3.736 14.625
249 H1* T 10 H1' T 10 4.129 3.886 12.400
250 H3 T 10 H3 T 10 1.004 0.578 11.890
251 1H5M T 10 1H5M T 10 5.660 -1.867 13.237
252 2H5M T 10 2H5M T 10 4.397 -2.094 14.465
253 3H5M T 10 3H5M T 10 4.197 -2.776 12.842
254 H6 T 10 H6 T 10 5.571 0.533 13.357
255 1H5* C 11 1H5' C 11 4.292 7.068 12.916
256 2H5* C 11 2H5' C 11 4.373 8.401 14.081
257 H4* C 11 H4' C 11 2.114 8.051 13.178
258 H3* C 11 H3' C 11 2.730 8.325 15.939
259 H1* C 11 H1' C 11 0.054 5.912 14.423
260 1H4 C 11 1H4 C 11 3.082 0.097 15.817
261 2H4 C 11 2H4 C 11 1.445 -0.223 15.235
262 H5 C 11 H5 C 11 3.873 2.355 16.151
263 H6 C 11 H6 C 11 3.314 4.690 15.865
264 2H2* C 11 1H2' C 11 0.405 6.881 16.510
265 1H2* C 11 2H2' C 11 2.054 6.275 16.660
266 1H5* C 12 1H5' C 12 -1.229 8.521 17.140
267 2H5* C 12 2H5' C 12 -1.465 10.067 17.973
268 H4* C 12 H4' C 12 -1.738 8.161 19.505
269 H3* C 12 H3' C 12 -0.169 10.407 20.129
270 H1* C 12 H1' C 12 0.643 6.893 21.010
271 1H4 C 12 1H4 C 12 5.609 4.461 17.293
272 2H4 C 12 2H4 C 12 4.716 3.137 18.146
273 H5 C 12 H5 C 12 5.029 6.785 17.760
274 H6 C 12 H6 C 12 3.316 8.193 18.694
275 2H2* C 12 1H2' C 12 1.753 8.978 21.404
276 1H2* C 12 2H2' C 12 1.865 9.344 19.657
Start of MODEL 18
1 1H5* C 1 1H5' C 1 -3.496 -2.963 -23.834
2 2H5* C 1 2H5' C 1 -4.355 -4.516 -23.725
3 H4* C 1 H4' C 1 -2.133 -4.821 -22.882
4 H3* C 1 H3' C 1 -4.384 -5.370 -21.213
5 H1* C 1 H1' C 1 -0.948 -4.010 -20.154
6 1H4 C 1 1H4 C 1 -2.130 1.579 -16.726
7 2H4 C 1 2H4 C 1 -0.774 1.996 -17.733
8 H5 C 1 H5 C 1 -3.663 0.725 -19.229
9 H6 C 1 H6 C 1 -3.756 -1.451 -20.351
10 2H2* C 1 1H2' C 1 -2.829 -4.898 -18.983
11 1H2* C 1 2H2' C 1 -3.940 -3.675 -19.677
12 H3 C 1 H3 C 1 -0.012 -0.306 -17.530
13 1H5* C 2 1H5' C 2 -0.151 -6.794 -19.989
14 2H5* C 2 2H5' C 2 -0.289 -8.447 -19.356
15 H4* C 2 H4' C 2 1.490 -7.115 -18.300
16 H3* C 2 H3' C 2 -0.425 -8.645 -16.806
17 H1* C 2 H1' C 2 1.181 -5.260 -15.819
18 1H4 C 2 1H4 C 2 -3.774 -0.810 -16.525
19 2H4 C 2 2H4 C 2 -2.858 -0.244 -15.151
20 H5 C 2 H5 C 2 -3.889 -3.316 -16.823
21 H6 C 2 H6 C 2 -2.452 -5.286 -16.951
22 2H2* C 2 1H2' C 2 -0.038 -6.940 -14.653
23 1H2* C 2 2H2' C 2 -1.427 -6.831 -15.766
24 H3 C 2 H3 C 2 -0.930 -1.290 -14.702
25 1H5* A 3 1H5' A 3 3.298 -6.792 -15.119
26 2H5* A 3 2H5' A 3 4.259 -8.041 -14.321
27 H4* A 3 H4' A 3 4.607 -5.634 -13.652
28 H3* A 3 H3' A 3 4.581 -7.939 -11.863
29 H1* A 3 H1' A 3 3.711 -4.253 -11.365
30 H8 A 3 H8 A 3 0.684 -6.541 -10.801
31 1H6 A 3 1H6 A 3 -2.405 -1.145 -10.651
32 2H6 A 3 2H6 A 3 -2.586 -2.896 -10.667
33 H2 A 3 H2 A 3 1.926 -0.290 -10.281
34 2H2* A 3 1H2' A 3 4.175 -6.052 -9.857
35 1H2* A 3 2H2' A 3 2.884 -7.052 -10.479
36 1H5* T 4 1H5' T 4 6.234 -3.792 -11.152
37 2H5* T 4 2H5' T 4 7.854 -3.826 -10.439
38 H4* T 4 H4' T 4 6.657 -1.828 -9.770
39 H3* T 4 H3' T 4 7.736 -3.734 -7.836
40 1H2* T 4 2H2' T 4 5.753 -4.013 -6.756
41 2H2* T 4 1H2' T 4 6.016 -2.453 -6.007
42 H1* T 4 H1' T 4 4.773 -1.247 -7.697
43 H3 T 4 H3 T 4 0.399 -1.992 -6.509
44 1H5M T 4 1H5M T 4 2.319 -6.829 -7.723
45 2H5M T 4 2H5M T 4 2.389 -6.746 -5.950
46 3H5M T 4 3H5M T 4 0.829 -6.660 -6.786
47 H6 T 4 H6 T 4 3.999 -5.024 -7.469
48 1H5* A 5 1H5' A 5 7.153 0.752 -7.191
49 2H5* A 5 2H5' A 5 8.472 1.435 -6.224
50 H4* A 5 H4' A 5 6.334 2.603 -5.938
51 H3* A 5 H3' A 5 7.969 1.624 -3.740
52 H1* A 5 H1' A 5 4.174 2.056 -4.005
53 H8 A 5 H8 A 5 5.223 -1.745 -3.710
54 1H6 A 5 1H6 A 5 -0.990 -2.643 -4.052
55 2H6 A 5 2H6 A 5 0.508 -3.485 -3.721
56 H2 A 5 H2 A 5 -0.173 1.665 -4.073
57 2H2* A 5 1H2' A 5 5.686 1.710 -2.169
58 1H2* A 5 2H2' A 5 6.344 0.235 -2.907
59 1H5* A 6 1H5' A 6 5.281 5.440 -4.048
60 2H5* A 6 2H5' A 6 5.955 6.723 -3.034
61 H4* A 6 H4' A 6 3.547 6.925 -3.527
62 H3* A 6 H3' A 6 4.700 7.546 -1.092
63 H1* A 6 H1' A 6 1.462 5.448 -1.336
64 H8 A 6 H8 A 6 4.655 3.255 -0.586
65 1H6 A 6 1H6 A 6 0.589 -1.459 -0.727
66 2H6 A 6 2H6 A 6 2.282 -1.019 -0.517
67 H2 A 6 H2 A 6 -1.661 2.335 -1.278
68 2H2* A 6 1H2' A 6 2.738 6.419 0.378
69 1H2* A 6 2H2' A 6 4.171 5.496 0.026
70 1H5* T 7 1H5' T 7 0.107 7.777 -1.648
71 2H5* T 7 2H5' T 7 -0.609 9.219 -0.916
72 H4* T 7 H4' T 7 -2.055 7.206 -0.882
73 H3* T 7 H3' T 7 -1.605 8.922 1.390
74 1H2* T 7 2H2' T 7 -0.702 7.272 2.752
75 2H2* T 7 1H2' T 7 -2.330 6.736 2.973
76 H1* T 7 H1' T 7 -2.346 5.197 1.190
77 H3 T 7 H3 T 7 -0.044 1.481 2.437
78 1H5M T 7 1H5M T 7 3.958 4.079 2.753
79 2H5M T 7 2H5M T 7 3.347 5.733 2.873
80 3H5M T 7 3H5M T 7 3.276 4.653 4.283
81 H6 T 7 H6 T 7 1.012 6.140 2.585
82 1H5* T 8 1H5' T 8 -4.883 5.740 1.477
83 2H5* T 8 2H5' T 8 -6.394 6.314 2.202
84 H4* T 8 H4' T 8 -5.939 4.046 2.913
85 H3* T 8 H3' T 8 -6.239 6.208 4.835
86 1H2* T 8 2H2' T 8 -4.170 5.869 5.748
87 2H2* T 8 1H2' T 8 -4.953 4.554 6.648
88 H1* T 8 H1' T 8 -4.436 2.931 4.939
89 H3 T 8 H3 T 8 -0.131 1.453 5.263
90 1H5M T 8 1H5M T 8 0.327 6.365 6.896
91 2H5M T 8 2H5M T 8 1.592 5.772 5.813
92 3H5M T 8 3H5M T 8 0.279 6.763 5.166
93 H6 T 8 H6 T 8 -2.030 5.863 5.403
94 1H5* T 9 1H5' T 9 -7.415 1.620 5.981
95 2H5* T 9 2H5' T 9 -8.674 1.748 7.217
96 H4* T 9 H4' T 9 -7.241 -0.222 7.591
97 H3* T 9 H3' T 9 -7.424 1.973 9.616
98 1H2* T 9 2H2' T 9 -5.328 1.702 10.434
99 2H2* T 9 1H2' T 9 -5.568 -0.083 10.632
100 H1* T 9 H1' T 9 -4.535 -0.517 8.635
101 H3 T 9 H3 T 9 -0.262 1.085 8.459
102 1H5M T 9 1H5M T 9 -2.745 5.372 9.747
103 2H5M T 9 2H5M T 9 -1.622 5.558 8.394
104 3H5M T 9 3H5M T 9 -3.359 5.459 8.089
105 H6 T 9 H6 T 9 -4.505 3.361 8.515
106 1H5* A 10 1H5' A 10 -7.713 -2.652 11.051
107 2H5* A 10 2H5' A 10 -8.805 -2.713 12.442
108 H4* A 10 H4' A 10 -6.802 -4.253 12.491
109 H3* A 10 H3' A 10 -7.940 -3.055 14.698
110 H1* A 10 H1' A 10 -4.139 -2.956 14.108
111 H8 A 10 H8 A 10 -5.547 0.564 14.171
112 1H6 A 10 1H6 A 10 -0.081 2.094 11.478
113 2H6 A 10 2H6 A 10 -1.345 2.743 12.512
114 H2 A 10 H2 A 10 -0.623 -2.242 11.205
115 2H2* A 10 1H2' A 10 -5.620 -2.200 15.819
116 1H2* A 10 2H2' A 10 -6.567 -1.208 14.691
117 1H5* C 11 1H5' C 11 -4.285 -6.123 15.333
118 2H5* C 11 2H5' C 11 -4.249 -6.773 16.980
119 H4* C 11 H4' C 11 -2.030 -6.324 15.863
120 H3* C 11 H3' C 11 -2.536 -5.875 18.600
121 H1* C 11 H1' C 11 -0.464 -3.703 16.324
122 1H4 C 11 1H4 C 11 -3.325 2.043 14.864
123 2H4 C 11 2H4 C 11 -1.859 2.524 15.589
124 H5 C 11 H5 C 11 -4.273 0.255 16.991
125 H6 C 11 H6 C 11 -3.813 -2.122 17.322
126 2H2* C 11 1H2' C 11 -0.965 -3.632 18.680
127 1H2* C 11 2H2' C 11 -2.730 -3.547 18.372
128 H3 C 11 H3 C 11 -0.667 0.679 14.987
129 1H5* C 12 1H5' C 12 1.731 -4.852 16.785
130 2H5* C 12 2H5' C 12 2.741 -5.888 17.811
131 H4* C 12 H4' C 12 4.121 -4.109 17.124
132 H3* C 12 H3' C 12 3.546 -4.410 19.930
133 H1* C 12 H1' C 12 4.269 -1.211 17.956
134 1H4 C 12 1H4 C 12 -1.257 2.622 18.132
135 2H4 C 12 2H4 C 12 -0.164 3.412 19.308
136 H5 C 12 H5 C 12 -1.060 0.003 18.643
137 H6 C 12 H6 C 12 0.583 -1.795 18.416
138 2H2* C 12 1H2' C 12 4.177 -1.742 20.300
139 1H2* C 12 2H2' C 12 2.480 -2.342 20.151
140 H3 C 12 H3 C 12 2.025 2.803 18.702
141 1H5* C 1 1H5' C 1 7.113 3.558 -18.808
142 2H5* C 1 2H5' C 1 7.504 5.013 -17.873
143 H4* C 1 H4' C 1 5.242 5.158 -18.673
144 H3* C 1 H3' C 1 5.867 5.495 -15.950
145 H1* C 1 H1' C 1 2.781 3.861 -17.327
146 1H4 C 1 1H4 C 1 3.125 -2.768 -16.513
147 2H4 C 1 2H4 C 1 1.580 -2.236 -17.213
148 H5 C 1 H5 C 1 4.840 -1.054 -15.977
149 H6 C 1 H6 C 1 5.317 1.322 -16.143
150 2H2* C 1 1H2' C 1 3.555 4.331 -15.088
151 1H2* C 1 2H2' C 1 5.032 3.378 -15.317
152 1H5* C 2 1H5' C 2 1.436 6.215 -17.370
153 2H5* C 2 2H5' C 2 0.777 7.646 -16.561
154 H4* C 2 H4' C 2 -0.903 5.888 -16.921
155 H3* C 2 H3' C 2 -0.402 7.123 -14.336
156 H1* C 2 H1' C 2 -1.685 3.696 -15.350
157 1H4 C 2 1H4 C 2 2.742 -0.773 -13.096
158 2H4 C 2 2H4 C 2 1.283 -1.578 -13.700
159 H5 C 2 H5 C 2 2.934 1.650 -13.203
160 H6 C 2 H6 C 2 1.800 3.672 -13.879
161 2H2* C 2 1H2' C 2 -1.769 4.882 -13.309
162 1H2* C 2 2H2' C 2 -0.022 5.137 -13.224
163 1H5* T 3 1H5' T 3 -4.203 4.788 -14.926
164 2H5* T 3 2H5' T 3 -5.656 5.710 -14.505
165 H4* T 3 H4' T 3 -5.755 3.299 -13.956
166 H3* T 3 H3' T 3 -6.555 5.410 -12.167
167 1H2* T 3 2H2' T 3 -4.920 4.947 -10.606
168 2H2* T 3 1H2' T 3 -6.056 3.724 -10.019
169 H1* T 3 H1' T 3 -5.143 2.017 -11.432
170 H3 T 3 H3 T 3 -1.248 0.326 -9.803
171 1H5M T 3 1H5M T 3 -0.356 5.544 -10.202
172 2H5M T 3 2H5M T 3 -0.864 5.388 -8.507
173 3H5M T 3 3H5M T 3 0.607 4.581 -9.072
174 H6 T 3 H6 T 3 -2.835 4.839 -10.345
175 1H5* A 4 1H5' A 4 -7.405 0.987 -11.876
176 2H5* A 4 2H5' A 4 -9.111 0.703 -11.508
177 H4* A 4 H4' A 4 -7.774 -1.140 -10.769
178 H3* A 4 H3' A 4 -9.453 0.372 -8.902
179 H1* A 4 H1' A 4 -6.339 -1.783 -8.508
180 H8 A 4 H8 A 4 -5.748 1.750 -7.107
181 1H6 A 4 1H6 A 4 0.299 -0.117 -7.111
182 2H6 A 4 2H6 A 4 -0.652 1.333 -6.828
183 H2 A 4 H2 A 4 -2.208 -3.494 -7.799
184 2H2* A 4 1H2' A 4 -7.931 -0.830 -6.887
185 1H2* A 4 2H2' A 4 -7.663 0.802 -7.500
186 1H5* T 5 1H5' T 5 -7.885 -3.741 -8.285
187 2H5* T 5 2H5' T 5 -8.953 -4.864 -7.426
188 H4* T 5 H4' T 5 -6.725 -5.137 -6.614
189 H3* T 5 H3' T 5 -8.855 -4.336 -4.806
190 1H2* T 5 2H2' T 5 -7.805 -2.283 -4.625
191 2H2* T 5 1H2' T 5 -7.055 -2.987 -3.209
192 H1* T 5 H1' T 5 -5.256 -3.973 -4.677
193 H3 T 5 H3 T 5 -1.960 -1.031 -4.115
194 1H5M T 5 1H5M T 5 -5.539 1.319 -1.776
195 2H5M T 5 2H5M T 5 -5.159 2.437 -3.106
196 3H5M T 5 3H5M T 5 -6.687 1.549 -3.125
197 H6 T 5 H6 T 5 -6.720 -0.561 -4.166
198 1H5* T 6 1H5' T 6 -4.846 -6.430 -4.071
199 2H5* T 6 2H5' T 6 -5.274 -7.812 -3.053
200 H4* T 6 H4' T 6 -2.892 -7.352 -2.999
201 H3* T 6 H3' T 6 -4.562 -7.614 -0.663
202 1H2* T 6 2H2' T 6 -4.096 -5.580 0.260
203 2H2* T 6 1H2' T 6 -2.512 -6.235 0.691
204 H1* T 6 H1' T 6 -1.428 -5.355 -1.190
205 H3 T 6 H3 T 6 -1.232 -0.812 -0.551
206 1H5M T 6 1H5M T 6 -6.391 -2.182 0.049
207 2H5M T 6 2H5M T 6 -5.906 -0.486 -0.051
208 3H5M T 6 3H5M T 6 -6.263 -1.394 -1.530
209 H6 T 6 H6 T 6 -4.898 -3.894 -1.020
210 1H5* A 7 1H5' A 7 -0.044 -7.849 -0.209
211 2H5* A 7 2H5' A 7 0.423 -9.272 0.741
212 H4* A 7 H4' A 7 1.883 -7.399 1.209
213 H3* A 7 H3' A 7 0.398 -8.773 3.304
214 H1* A 7 H1' A 7 1.639 -5.181 3.060
215 H8 A 7 H8 A 7 -2.273 -5.279 3.487
216 1H6 A 7 1H6 A 7 -1.897 0.807 2.123
217 2H6 A 7 2H6 A 7 -2.998 -0.458 2.649
218 H2 A 7 H2 A 7 2.189 -0.845 2.256
219 2H2* A 7 1H2' A 7 0.747 -6.517 4.872
220 1H2* A 7 2H2' A 7 -0.731 -6.880 3.955
221 1H5* A 8 1H5' A 8 4.596 -6.655 3.530
222 2H5* A 8 2H5' A 8 5.575 -7.627 4.638
223 H4* A 8 H4' A 8 6.394 -5.368 4.486
224 H3* A 8 H3' A 8 5.994 -6.701 6.905
225 H1* A 8 H1' A 8 5.058 -2.997 6.365
226 H8 A 8 H8 A 8 1.922 -5.364 6.535
227 1H6 A 8 1H6 A 8 -1.283 -0.108 5.491
228 2H6 A 8 2H6 A 8 -1.425 -1.825 5.849
229 H2 A 8 H2 A 8 3.044 0.875 5.530
230 2H2* A 8 1H2' A 8 5.095 -4.494 8.228
231 1H2* A 8 2H2' A 8 3.997 -5.638 7.441
232 1H5* A 9 1H5' A 9 8.405 -2.426 6.818
233 2H5* A 9 2H5' A 9 9.718 -2.681 7.979
234 H4* A 9 H4' A 9 9.073 -0.340 7.840
235 H3* A 9 H3' A 9 9.575 -1.602 10.231
236 H1* A 9 H1' A 9 6.538 0.648 9.792
237 H8 A 9 H8 A 9 5.410 -3.085 9.978
238 1H6 A 9 1H6 A 9 -0.251 -0.841 8.788
239 2H6 A 9 2H6 A 9 0.704 -2.284 9.109
240 H2 A 9 H2 A 9 2.657 2.531 8.501
241 2H2* A 9 1H2' A 9 7.424 -0.716 11.576
242 1H2* A 9 2H2' A 9 7.318 -2.193 10.618
243 1H5* T 10 1H5' T 10 8.092 2.908 10.294
244 2H5* T 10 2H5' T 10 8.935 3.796 11.573
245 H4* T 10 H4' T 10 6.662 4.618 11.175
246 H3* T 10 H3' T 10 7.639 3.900 13.810
247 1H2* T 10 2H2' T 10 6.033 2.344 14.200
248 2H2* T 10 1H2' T 10 4.981 3.714 14.533
249 H1* T 10 H1' T 10 4.139 3.831 12.303
250 H3 T 10 H3 T 10 1.045 0.495 11.791
251 1H5M T 10 1H5M T 10 5.700 -1.893 13.253
252 2H5M T 10 2H5M T 10 4.393 -2.147 14.430
253 3H5M T 10 3H5M T 10 4.266 -2.820 12.797
254 H6 T 10 H6 T 10 5.591 0.497 13.319
255 1H5* C 11 1H5' C 11 4.290 7.042 12.755
256 2H5* C 11 2H5' C 11 4.342 8.384 13.910
257 H4* C 11 H4' C 11 2.101 8.008 12.970
258 H3* C 11 H3' C 11 2.664 8.313 15.739
259 H1* C 11 H1' C 11 0.031 5.874 14.194
260 1H4 C 11 1H4 C 11 3.043 0.083 15.717
261 2H4 C 11 2H4 C 11 1.413 -0.255 15.128
262 H5 C 11 H5 C 11 3.829 2.342 16.021
263 H6 C 11 H6 C 11 3.276 4.673 15.684
264 2H2* C 11 1H2' C 11 0.342 6.855 16.284
265 1H2* C 11 2H2' C 11 1.994 6.260 16.461
266 1H5* C 12 1H5' C 12 -1.311 8.496 16.860
267 2H5* C 12 2H5' C 12 -1.573 10.043 17.682
268 H4* C 12 H4' C 12 -1.853 8.143 19.220
269 H3* C 12 H3' C 12 -0.308 10.405 19.853
270 H1* C 12 H1' C 12 0.500 6.900 20.773
271 1H4 C 12 1H4 C 12 5.551 4.474 17.166
272 2H4 C 12 2H4 C 12 4.654 3.146 18.009
273 H5 C 12 H5 C 12 4.948 6.792 17.606
274 H6 C 12 H6 C 12 3.211 8.198 18.499
275 2H2* C 12 1H2' C 12 1.595 8.992 21.176
276 1H2* C 12 2H2' C 12 1.739 9.349 19.430
Start of MODEL 19
1 1H5* C 1 1H5' C 1 -2.485 -2.780 -24.371
2 2H5* C 1 2H5' C 1 -3.401 -4.303 -24.412
3 H4* C 1 H4' C 1 -1.254 -4.734 -23.433
4 H3* C 1 H3' C 1 -3.646 -5.270 -21.956
5 H1* C 1 H1' C 1 -0.231 -4.058 -20.565
6 1H4 C 1 1H4 C 1 -1.757 1.343 -16.983
7 2H4 C 1 2H4 C 1 -0.352 1.845 -17.864
8 H5 C 1 H5 C 1 -3.082 0.600 -19.649
9 H6 C 1 H6 C 1 -3.041 -1.517 -20.879
10 2H2* C 1 1H2' C 1 -2.160 -5.034 -19.619
11 1H2* C 1 2H2' C 1 -3.242 -3.755 -20.252
12 H3 C 1 H3 C 1 0.444 -0.449 -17.714
13 1H5* C 2 1H5' C 2 0.354 -7.016 -20.537
14 2H5* C 2 2H5' C 2 0.141 -8.633 -19.839
15 H4* C 2 H4' C 2 1.828 -7.152 -18.735
16 H3* C 2 H3' C 2 -0.044 -8.797 -17.317
17 H1* C 2 H1' C 2 1.326 -5.376 -16.329
18 1H4 C 2 1H4 C 2 -3.544 -0.862 -17.015
19 2H4 C 2 2H4 C 2 -2.695 -0.397 -15.560
20 H5 C 2 H5 C 2 -3.706 -3.379 -17.406
21 H6 C 2 H6 C 2 -2.287 -5.364 -17.559
22 2H2* C 2 1H2' C 2 0.013 -7.043 -15.190
23 1H2* C 2 2H2' C 2 -1.257 -6.993 -16.449
24 H3 C 2 H3 C 2 -0.785 -1.471 -15.128
25 1H5* A 3 1H5' A 3 3.320 -6.484 -15.490
26 2H5* A 3 2H5' A 3 4.397 -7.653 -14.720
27 H4* A 3 H4' A 3 4.584 -5.273 -14.002
28 H3* A 3 H3' A 3 4.647 -7.591 -12.234
29 H1* A 3 H1' A 3 3.622 -3.956 -11.725
30 H8 A 3 H8 A 3 0.620 -6.310 -11.361
31 1H6 A 3 1H6 A 3 -2.528 -1.022 -10.531
32 2H6 A 3 2H6 A 3 -2.670 -2.763 -10.734
33 H2 A 3 H2 A 3 1.812 -0.125 -10.228
34 2H2* A 3 1H2' A 3 4.106 -5.767 -10.215
35 1H2* A 3 2H2' A 3 2.864 -6.794 -10.891
36 1H5* T 4 1H5' T 4 6.065 -3.354 -11.365
37 2H5* T 4 2H5' T 4 7.690 -3.367 -10.663
38 H4* T 4 H4' T 4 6.464 -1.441 -9.883
39 H3* T 4 H3' T 4 7.566 -3.432 -8.048
40 1H2* T 4 2H2' T 4 5.576 -3.804 -7.011
41 2H2* T 4 1H2' T 4 5.818 -2.296 -6.159
42 H1* T 4 H1' T 4 4.571 -0.994 -7.782
43 H3 T 4 H3 T 4 0.242 -1.878 -6.501
44 1H5M T 4 1H5M T 4 2.072 -6.563 -8.187
45 2H5M T 4 2H5M T 4 2.384 -6.646 -6.441
46 3H5M T 4 3H5M T 4 0.723 -6.511 -7.044
47 H6 T 4 H6 T 4 3.835 -4.778 -7.827
48 1H5* A 5 1H5' A 5 6.890 0.996 -7.201
49 2H5* A 5 2H5' A 5 8.201 1.661 -6.214
50 H4* A 5 H4' A 5 6.049 2.791 -5.885
51 H3* A 5 H3' A 5 7.704 1.759 -3.725
52 H1* A 5 H1' A 5 3.900 2.156 -3.969
53 H8 A 5 H8 A 5 5.006 -1.638 -3.824
54 1H6 A 5 1H6 A 5 -1.194 -2.615 -4.109
55 2H6 A 5 2H6 A 5 0.326 -3.446 -3.870
56 H2 A 5 H2 A 5 -0.445 1.701 -3.979
57 2H2* A 5 1H2' A 5 5.422 1.775 -2.148
58 1H2* A 5 2H2' A 5 6.095 0.329 -2.927
59 1H5* A 6 1H5' A 6 4.949 5.518 -3.909
60 2H5* A 6 2H5' A 6 5.623 6.790 -2.882
61 H4* A 6 H4' A 6 3.211 6.984 -3.328
62 H3* A 6 H3' A 6 4.396 7.534 -0.888
63 H1* A 6 H1' A 6 1.163 5.424 -1.159
64 H8 A 6 H8 A 6 4.382 3.241 -0.503
65 1H6 A 6 1H6 A 6 0.363 -1.507 -0.738
66 2H6 A 6 2H6 A 6 2.052 -1.055 -0.527
67 H2 A 6 H2 A 6 -1.929 2.278 -1.169
68 2H2* A 6 1H2' A 6 2.445 6.355 0.569
69 1H2* A 6 2H2' A 6 3.884 5.457 0.176
70 1H5* T 7 1H5' T 7 -0.191 7.737 -1.364
71 2H5* T 7 2H5' T 7 -0.908 9.160 -0.595
72 H4* T 7 H4' T 7 -2.343 7.144 -0.574
73 H3* T 7 H3' T 7 -1.844 8.800 1.737
74 1H2* T 7 2H2' T 7 -0.928 7.109 3.040
75 2H2* T 7 1H2' T 7 -2.552 6.566 3.266
76 H1* T 7 H1' T 7 -2.591 5.082 1.439
77 H3 T 7 H3 T 7 -0.256 1.327 2.485
78 1H5M T 7 1H5M T 7 3.739 3.925 2.870
79 2H5M T 7 2H5M T 7 3.125 5.571 3.066
80 3H5M T 7 3H5M T 7 3.073 4.432 4.430
81 H6 T 7 H6 T 7 0.784 5.981 2.821
82 1H5* T 8 1H5' T 8 -5.124 5.636 1.780
83 2H5* T 8 2H5' T 8 -6.627 6.189 2.541
84 H4* T 8 H4' T 8 -6.164 3.900 3.178
85 H3* T 8 H3' T 8 -6.435 6.004 5.171
86 1H2* T 8 2H2' T 8 -4.358 5.633 6.053
87 2H2* T 8 1H2' T 8 -5.126 4.285 6.913
88 H1* T 8 H1' T 8 -4.630 2.725 5.148
89 H3 T 8 H3 T 8 -0.317 1.255 5.311
90 1H5M T 8 1H5M T 8 0.086 6.561 5.431
91 2H5M T 8 2H5M T 8 0.157 6.099 7.146
92 3H5M T 8 3H5M T 8 1.406 5.547 6.024
93 H6 T 8 H6 T 8 -2.225 5.648 5.679
94 1H5* T 9 1H5' T 9 -7.527 1.389 6.143
95 2H5* T 9 2H5' T 9 -8.799 1.440 7.373
96 H4* T 9 H4' T 9 -7.332 -0.518 7.679
97 H3* T 9 H3' T 9 -7.536 1.611 9.783
98 1H2* T 9 2H2' T 9 -5.468 1.229 10.683
99 2H2* T 9 1H2' T 9 -5.714 -0.554 10.683
100 H1* T 9 H1' T 9 -4.623 -0.809 8.714
101 H3 T 9 H3 T 9 -0.392 0.887 8.523
102 1H5M T 9 1H5M T 9 -1.856 5.328 8.654
103 2H5M T 9 2H5M T 9 -3.605 5.198 8.439
104 3H5M T 9 3H5M T 9 -2.901 5.071 10.058
105 H6 T 9 H6 T 9 -4.681 3.064 8.828
106 1H5* A 10 1H5' A 10 -7.457 -2.827 11.353
107 2H5* A 10 2H5' A 10 -8.594 -3.019 12.700
108 H4* A 10 H4' A 10 -6.332 -4.061 13.027
109 H3* A 10 H3' A 10 -7.752 -2.549 15.003
110 H1* A 10 H1' A 10 -3.989 -2.752 14.389
111 H8 A 10 H8 A 10 -5.014 0.887 14.601
112 1H6 A 10 1H6 A 10 0.151 2.088 11.307
113 2H6 A 10 2H6 A 10 -0.999 2.788 12.451
114 H2 A 10 H2 A 10 -0.565 -2.254 11.234
115 2H2* A 10 1H2' A 10 -5.371 -1.784 16.134
116 1H2* A 10 2H2' A 10 -6.280 -0.808 14.952
117 1H5* C 11 1H5' C 11 -4.373 -5.680 15.976
118 2H5* C 11 2H5' C 11 -4.284 -6.214 17.662
119 H4* C 11 H4' C 11 -2.112 -5.819 16.384
120 H3* C 11 H3' C 11 -2.506 -5.300 19.136
121 H1* C 11 H1' C 11 -0.524 -3.205 16.698
122 1H4 C 11 1H4 C 11 -3.401 2.925 16.590
123 2H4 C 11 2H4 C 11 -2.038 2.917 15.503
124 H5 C 11 H5 C 11 -4.067 0.896 17.748
125 H6 C 11 H6 C 11 -3.754 -1.517 17.935
126 2H2* C 11 1H2' C 11 -0.860 -3.105 19.072
127 1H2* C 11 2H2' C 11 -2.639 -2.984 18.889
128 H3 C 11 H3 C 11 -0.692 1.133 15.341
129 1H5* C 12 1H5' C 12 1.732 -4.573 17.078
130 2H5* C 12 2H5' C 12 2.712 -5.636 18.105
131 H4* C 12 H4' C 12 4.191 -4.010 17.279
132 H3* C 12 H3' C 12 3.739 -4.145 20.105
133 H1* C 12 H1' C 12 4.516 -1.026 18.004
134 1H4 C 12 1H4 C 12 -0.924 2.881 18.024
135 2H4 C 12 2H4 C 12 0.158 3.717 19.176
136 H5 C 12 H5 C 12 -0.768 0.288 18.881
137 H6 C 12 H6 C 12 0.851 -1.539 18.714
138 2H2* C 12 1H2' C 12 4.476 -1.496 20.357
139 1H2* C 12 2H2' C 12 2.754 -2.033 20.281
140 H3 C 12 H3 C 12 2.323 3.052 18.481
141 1H5* C 1 1H5' C 1 7.453 3.643 -18.129
142 2H5* C 1 2H5' C 1 7.809 5.004 -17.050
143 H4* C 1 H4' C 1 5.595 5.253 -17.953
144 H3* C 1 H3' C 1 6.072 5.340 -15.185
145 H1* C 1 H1' C 1 3.048 3.831 -16.851
146 1H4 C 1 1H4 C 1 3.531 -2.838 -16.570
147 2H4 C 1 2H4 C 1 2.025 -2.315 -17.350
148 H5 C 1 H5 C 1 5.141 -1.141 -15.790
149 H6 C 1 H6 C 1 5.557 1.245 -15.706
150 2H2* C 1 1H2' C 1 3.692 4.141 -14.559
151 1H2* C 1 2H2' C 1 5.183 3.205 -14.759
152 1H5* C 2 1H5' C 2 1.692 6.290 -16.690
153 2H5* C 2 2H5' C 2 1.007 7.605 -15.720
154 H4* C 2 H4' C 2 -0.666 5.894 -16.305
155 H3* C 2 H3' C 2 -0.091 6.656 -13.513
156 H1* C 2 H1' C 2 -1.425 3.497 -15.244
157 1H4 C 2 1H4 C 2 2.690 -1.253 -12.918
158 2H4 C 2 2H4 C 2 1.396 -1.939 -13.922
159 H5 C 2 H5 C 2 2.971 1.201 -12.876
160 H6 C 2 H6 C 2 1.894 3.296 -13.436
161 2H2* C 2 1H2' C 2 -1.791 4.361 -13.137
162 1H2* C 2 2H2' C 2 -0.086 4.513 -12.695
163 1H5* T 3 1H5' T 3 -4.195 4.990 -14.566
164 2H5* T 3 2H5' T 3 -5.496 6.059 -14.012
165 H4* T 3 H4' T 3 -5.976 3.614 -13.915
166 H3* T 3 H3' T 3 -6.781 5.489 -12.005
167 1H2* T 3 2H2' T 3 -5.126 5.018 -10.453
168 2H2* T 3 1H2' T 3 -6.295 3.834 -9.861
169 H1* T 3 H1' T 3 -5.405 2.068 -11.129
170 H3 T 3 H3 T 3 -1.367 0.467 -9.753
171 1H5M T 3 1H5M T 3 -0.711 5.756 -10.297
172 2H5M T 3 2H5M T 3 -0.857 5.479 -8.551
173 3H5M T 3 3H5M T 3 0.497 4.777 -9.455
174 H6 T 3 H6 T 3 -3.048 4.946 -10.325
175 1H5* A 4 1H5' A 4 -7.611 1.048 -11.833
176 2H5* A 4 2H5' A 4 -9.315 0.743 -11.474
177 H4* A 4 H4' A 4 -7.957 -1.102 -10.770
178 H3* A 4 H3' A 4 -9.665 0.353 -8.884
179 H1* A 4 H1' A 4 -6.519 -1.766 -8.506
180 H8 A 4 H8 A 4 -6.008 1.751 -7.034
181 1H6 A 4 1H6 A 4 0.083 0.036 -7.103
182 2H6 A 4 2H6 A 4 -0.903 1.457 -6.781
183 H2 A 4 H2 A 4 -2.339 -3.392 -7.833
184 2H2* A 4 1H2' A 4 -8.142 -0.875 -6.885
185 1H2* A 4 2H2' A 4 -7.896 0.775 -7.459
186 1H5* T 5 1H5' T 5 -8.052 -3.746 -8.339
187 2H5* T 5 2H5' T 5 -9.107 -4.903 -7.511
188 H4* T 5 H4' T 5 -6.884 -5.156 -6.683
189 H3* T 5 H3' T 5 -9.044 -4.410 -4.881
190 1H2* T 5 2H2' T 5 -8.017 -2.351 -4.648
191 2H2* T 5 1H2' T 5 -7.268 -3.077 -3.241
192 H1* T 5 H1' T 5 -5.446 -4.006 -4.716
193 H3 T 5 H3 T 5 -2.191 -1.021 -4.086
194 1H5M T 5 1H5M T 5 -5.800 1.231 -1.709
195 2H5M T 5 2H5M T 5 -5.458 2.372 -3.030
196 3H5M T 5 3H5M T 5 -6.965 1.449 -3.044
197 H6 T 5 H6 T 5 -6.960 -0.628 -4.140
198 1H5* T 6 1H5' T 6 -5.024 -6.466 -4.163
199 2H5* T 6 2H5' T 6 -5.438 -7.872 -3.175
200 H4* T 6 H4' T 6 -3.064 -7.388 -3.098
201 H3* T 6 H3' T 6 -4.754 -7.683 -0.772
202 1H2* T 6 2H2' T 6 -4.264 -5.684 0.207
203 2H2* T 6 1H2' T 6 -2.672 -6.348 0.591
204 H1* T 6 H1' T 6 -1.616 -5.410 -1.271
205 H3 T 6 H3 T 6 -1.466 -0.882 -0.524
206 1H5M T 6 1H5M T 6 -6.499 -1.524 -1.508
207 2H5M T 6 2H5M T 6 -6.603 -2.307 0.074
208 3H5M T 6 3H5M T 6 -6.143 -0.605 -0.035
209 H6 T 6 H6 T 6 -5.100 -3.991 -1.057
210 1H5* A 7 1H5' A 7 -0.250 -7.970 -0.331
211 2H5* A 7 2H5' A 7 0.214 -9.407 0.597
212 H4* A 7 H4' A 7 1.682 -7.542 1.085
213 H3* A 7 H3' A 7 0.202 -8.944 3.165
214 H1* A 7 H1' A 7 1.448 -5.348 2.964
215 H8 A 7 H8 A 7 -2.463 -5.460 3.413
216 1H6 A 7 1H6 A 7 -2.107 0.659 2.198
217 2H6 A 7 2H6 A 7 -3.202 -0.624 2.691
218 H2 A 7 H2 A 7 1.983 -0.988 2.247
219 2H2* A 7 1H2' A 7 0.572 -6.712 4.763
220 1H2* A 7 2H2' A 7 -0.914 -7.060 3.857
221 1H5* A 8 1H5' A 8 4.407 -6.852 3.404
222 2H5* A 8 2H5' A 8 5.391 -7.836 4.498
223 H4* A 8 H4' A 8 6.205 -5.573 4.367
224 H3* A 8 H3' A 8 5.807 -6.927 6.781
225 H1* A 8 H1' A 8 4.885 -3.215 6.260
226 H8 A 8 H8 A 8 1.750 -5.584 6.417
227 1H6 A 8 1H6 A 8 -1.464 -0.308 5.512
228 2H6 A 8 2H6 A 8 -1.603 -2.033 5.834
229 H2 A 8 H2 A 8 2.862 0.675 5.536
230 2H2* A 8 1H2' A 8 4.927 -4.717 8.119
231 1H2* A 8 2H2' A 8 3.821 -5.855 7.335
232 1H5* A 9 1H5' A 9 8.189 -2.683 6.619
233 2H5* A 9 2H5' A 9 9.550 -2.938 7.722
234 H4* A 9 H4' A 9 8.949 -0.596 7.583
235 H3* A 9 H3' A 9 9.492 -1.850 9.972
236 H1* A 9 H1' A 9 6.472 0.474 9.596
237 H8 A 9 H8 A 9 5.352 -3.264 9.824
238 1H6 A 9 1H6 A 9 -0.341 -1.058 8.753
239 2H6 A 9 2H6 A 9 0.635 -2.495 9.049
240 H2 A 9 H2 A 9 2.520 2.353 8.496
241 2H2* A 9 1H2' A 9 7.417 -0.849 11.369
242 1H2* A 9 2H2' A 9 7.247 -2.353 10.466
243 1H5* T 10 1H5' T 10 8.235 2.721 10.019
244 2H5* T 10 2H5' T 10 9.131 3.596 11.269
245 H4* T 10 H4' T 10 6.856 4.461 10.867
246 H3* T 10 H3' T 10 7.901 3.885 13.497
247 1H2* T 10 2H2' T 10 6.334 2.311 13.994
248 2H2* T 10 1H2' T 10 5.290 3.687 14.349
249 H1* T 10 H1' T 10 4.359 3.746 12.149
250 H3 T 10 H3 T 10 1.244 0.421 11.742
251 1H5M T 10 1H5M T 10 5.846 -2.029 13.105
252 2H5M T 10 2H5M T 10 4.745 -2.058 14.500
253 3H5M T 10 3H5M T 10 4.316 -2.905 13.004
254 H6 T 10 H6 T 10 5.793 0.421 13.270
255 1H5* C 11 1H5' C 11 4.476 6.925 12.376
256 2H5* C 11 2H5' C 11 4.567 8.331 13.450
257 H4* C 11 H4' C 11 2.301 7.926 12.609
258 H3* C 11 H3' C 11 2.944 8.369 15.337
259 H1* C 11 H1' C 11 0.254 5.885 14.000
260 1H4 C 11 1H4 C 11 3.160 0.064 15.666
261 2H4 C 11 2H4 C 11 1.479 -0.184 15.159
262 H5 C 11 H5 C 11 4.063 2.341 15.783
263 H6 C 11 H6 C 11 3.543 4.675 15.376
264 2H2* C 11 1H2' C 11 0.672 6.926 16.056
265 1H2* C 11 2H2' C 11 2.331 6.328 16.156
266 1H5* C 12 1H5' C 12 -1.007 8.598 16.573
267 2H5* C 12 2H5' C 12 -1.253 10.191 17.307
268 H4* C 12 H4' C 12 -1.485 8.390 18.965
269 H3* C 12 H3' C 12 0.078 10.681 19.424
270 H1* C 12 H1' C 12 0.932 7.230 20.510
271 1H4 C 12 1H4 C 12 5.845 4.610 16.839
272 2H4 C 12 2H4 C 12 4.944 3.325 17.743
273 H5 C 12 H5 C 12 5.262 6.955 17.195
274 H6 C 12 H6 C 12 3.573 8.410 18.099
275 2H2* C 12 1H2' C 12 2.031 9.344 20.754
276 1H2* C 12 2H2' C 12 2.111 9.603 18.986
Start of MODEL 20
1 1H5* C 1 1H5' C 1 -3.304 -2.492 -23.513
2 2H5* C 1 2H5' C 1 -4.218 -4.016 -23.500
3 H4* C 1 H4' C 1 -2.009 -4.455 -22.693
4 H3* C 1 H3' C 1 -4.269 -5.017 -21.028
5 H1* C 1 H1' C 1 -0.756 -3.831 -19.923
6 1H4 C 1 1H4 C 1 -1.840 1.655 -16.272
7 2H4 C 1 2H4 C 1 -0.485 2.080 -17.281
8 H5 C 1 H5 C 1 -3.429 0.865 -18.724
9 H6 C 1 H6 C 1 -3.563 -1.266 -19.919
10 2H2* C 1 1H2' C 1 -2.623 -4.779 -18.807
11 1H2* C 1 2H2' C 1 -3.729 -3.486 -19.365
12 H3 C 1 H3 C 1 0.279 -0.225 -17.189
13 1H5* C 2 1H5' C 2 -0.123 -6.588 -20.001
14 2H5* C 2 2H5' C 2 -0.206 -8.255 -19.398
15 H4* C 2 H4' C 2 1.543 -6.856 -18.340
16 H3* C 2 H3' C 2 -0.290 -8.506 -16.856
17 H1* C 2 H1' C 2 1.279 -5.162 -15.862
18 1H4 C 2 1H4 C 2 -3.872 -1.159 -14.234
19 2H4 C 2 2H4 C 2 -2.610 -0.088 -14.817
20 H5 C 2 H5 C 2 -3.854 -3.134 -16.216
21 H6 C 2 H6 C 2 -2.433 -5.054 -16.729
22 2H2* C 2 1H2' C 2 0.047 -6.847 -14.672
23 1H2* C 2 2H2' C 2 -1.340 -6.723 -15.790
24 H3 C 2 H3 C 2 -0.671 -1.280 -14.281
25 1H5* A 3 1H5' A 3 3.345 -6.506 -15.168
26 2H5* A 3 2H5' A 3 4.379 -7.737 -14.433
27 H4* A 3 H4' A 3 4.670 -5.368 -13.681
28 H3* A 3 H3' A 3 4.670 -7.712 -11.942
29 H1* A 3 H1' A 3 3.763 -4.047 -11.380
30 H8 A 3 H8 A 3 0.752 -6.363 -10.833
31 1H6 A 3 1H6 A 3 -2.382 -0.987 -10.837
32 2H6 A 3 2H6 A 3 -2.545 -2.740 -10.864
33 H2 A 3 H2 A 3 1.930 -0.103 -10.297
34 2H2* A 3 1H2' A 3 4.235 -5.873 -9.896
35 1H2* A 3 2H2' A 3 2.955 -6.870 -10.549
36 1H5* T 4 1H5' T 4 6.286 -3.564 -11.153
37 2H5* T 4 2H5' T 4 7.893 -3.587 -10.416
38 H4* T 4 H4' T 4 6.652 -1.620 -9.727
39 H3* T 4 H3' T 4 7.721 -3.553 -7.805
40 1H2* T 4 2H2' T 4 5.725 -3.851 -6.755
41 2H2* T 4 1H2' T 4 5.966 -2.294 -5.994
42 H1* T 4 H1' T 4 4.737 -1.088 -7.695
43 H3 T 4 H3 T 4 0.350 -1.877 -6.581
44 1H5M T 4 1H5M T 4 2.388 -6.697 -7.762
45 2H5M T 4 2H5M T 4 2.295 -6.614 -5.991
46 3H5M T 4 3H5M T 4 0.817 -6.539 -6.966
47 H6 T 4 H6 T 4 3.991 -4.874 -7.496
48 1H5* A 5 1H5' A 5 7.116 0.924 -7.122
49 2H5* A 5 2H5' A 5 8.410 1.607 -6.123
50 H4* A 5 H4' A 5 6.252 2.747 -5.862
51 H3* A 5 H3' A 5 7.863 1.779 -3.650
52 H1* A 5 H1' A 5 4.074 2.143 -3.960
53 H8 A 5 H8 A 5 5.159 -1.653 -3.718
54 1H6 A 5 1H6 A 5 -1.047 -2.597 -4.114
55 2H6 A 5 2H6 A 5 0.456 -3.434 -3.790
56 H2 A 5 H2 A 5 -0.262 1.716 -4.060
57 2H2* A 5 1H2' A 5 5.566 1.760 -2.108
58 1H2* A 5 2H2' A 5 6.258 0.320 -2.885
59 1H5* A 6 1H5' A 6 5.034 5.478 -3.942
60 2H5* A 6 2H5' A 6 5.654 6.778 -2.917
61 H4* A 6 H4' A 6 3.250 6.911 -3.420
62 H3* A 6 H3' A 6 4.358 7.518 -0.959
63 H1* A 6 H1' A 6 1.180 5.352 -1.292
64 H8 A 6 H8 A 6 4.406 3.201 -0.573
65 1H6 A 6 1H6 A 6 0.418 -1.574 -0.755
66 2H6 A 6 2H6 A 6 2.102 -1.103 -0.552
67 H2 A 6 H2 A 6 -1.896 2.201 -1.251
68 2H2* A 6 1H2' A 6 2.414 6.308 0.472
69 1H2* A 6 2H2' A 6 3.873 5.428 0.104
70 1H5* T 7 1H5' T 7 -0.226 7.602 -1.539
71 2H5* T 7 2H5' T 7 -0.992 9.014 -0.797
72 H4* T 7 H4' T 7 -2.379 6.966 -0.791
73 H3* T 7 H3' T 7 -1.975 8.651 1.518
74 1H2* T 7 2H2' T 7 -1.040 6.980 2.843
75 2H2* T 7 1H2' T 7 -2.661 6.420 3.052
76 H1* T 7 H1' T 7 -2.653 4.931 1.216
77 H3 T 7 H3 T 7 -0.362 1.194 2.424
78 1H5M T 7 1H5M T 7 3.631 3.833 2.779
79 2H5M T 7 2H5M T 7 2.994 5.461 3.044
80 3H5M T 7 3H5M T 7 2.958 4.266 4.358
81 H6 T 7 H6 T 7 0.686 5.853 2.661
82 1H5* T 8 1H5' T 8 -5.187 5.395 1.527
83 2H5* T 8 2H5' T 8 -6.716 5.933 2.244
84 H4* T 8 H4' T 8 -6.233 3.667 2.930
85 H3* T 8 H3' T 8 -6.591 5.792 4.878
86 1H2* T 8 2H2' T 8 -4.504 5.496 5.775
87 2H2* T 8 1H2' T 8 -5.264 4.175 6.685
88 H1* T 8 H1' T 8 -4.729 2.557 4.968
89 H3 T 8 H3 T 8 -0.414 1.124 5.277
90 1H5M T 8 1H5M T 8 -0.008 6.020 6.975
91 2H5M T 8 2H5M T 8 1.265 5.450 5.889
92 3H5M T 8 3H5M T 8 -0.057 6.435 5.249
93 H6 T 8 H6 T 8 -2.358 5.510 5.467
94 1H5* T 9 1H5' T 9 -7.555 1.166 5.929
95 2H5* T 9 2H5' T 9 -8.851 1.193 7.135
96 H4* T 9 H4' T 9 -7.311 -0.697 7.511
97 H3* T 9 H3' T 9 -7.692 1.444 9.558
98 1H2* T 9 2H2' T 9 -5.592 1.333 10.400
99 2H2* T 9 1H2' T 9 -5.726 -0.457 10.635
100 H1* T 9 H1' T 9 -4.671 -0.880 8.634
101 H3 T 9 H3 T 9 -0.420 0.788 8.519
102 1H5M T 9 1H5M T 9 -3.105 5.032 9.746
103 2H5M T 9 2H5M T 9 -1.827 5.241 8.542
104 3H5M T 9 3H5M T 9 -3.511 5.110 8.025
105 H6 T 9 H6 T 9 -4.697 3.000 8.527
106 1H5* A 10 1H5' A 10 -7.520 -3.057 11.240
107 2H5* A 10 2H5' A 10 -8.639 -3.191 12.607
108 H4* A 10 H4' A 10 -6.386 -4.278 12.903
109 H3* A 10 H3' A 10 -7.782 -2.835 14.899
110 H1* A 10 H1' A 10 -4.017 -2.788 14.288
111 H8 A 10 H8 A 10 -5.316 0.771 14.279
112 1H6 A 10 1H6 A 10 0.061 2.098 11.319
113 2H6 A 10 2H6 A 10 -1.142 2.800 12.394
114 H2 A 10 H2 A 10 -0.563 -2.244 11.243
115 2H2* A 10 1H2' A 10 -5.475 -1.846 15.971
116 1H2* A 10 2H2' A 10 -6.440 -0.986 14.745
117 1H5* C 11 1H5' C 11 -4.183 -5.841 15.917
118 2H5* C 11 2H5' C 11 -4.173 -6.318 17.622
119 H4* C 11 H4' C 11 -1.939 -6.042 16.471
120 H3* C 11 H3' C 11 -2.441 -5.340 19.149
121 H1* C 11 H1' C 11 -0.323 -3.390 16.706
122 1H4 C 11 1H4 C 11 -3.117 2.273 14.828
123 2H4 C 11 2H4 C 11 -1.640 2.770 15.512
124 H5 C 11 H5 C 11 -4.095 0.638 17.060
125 H6 C 11 H6 C 11 -3.675 -1.721 17.539
126 2H2* C 11 1H2' C 11 -0.831 -3.126 19.041
127 1H2* C 11 2H2' C 11 -2.593 -3.039 18.723
128 H3 C 11 H3 C 11 -0.487 0.870 15.027
129 1H5* C 12 1H5' C 12 1.818 -4.537 17.265
130 2H5* C 12 2H5' C 12 2.824 -5.500 18.364
131 H4* C 12 H4' C 12 4.223 -3.804 17.531
132 H3* C 12 H3' C 12 3.651 -3.846 20.353
133 H1* C 12 H1' C 12 4.418 -0.859 18.098
134 1H4 C 12 1H4 C 12 -1.036 3.085 17.909
135 2H4 C 12 2H4 C 12 0.094 3.972 18.983
136 H5 C 12 H5 C 12 -0.880 0.536 18.673
137 H6 C 12 H6 C 12 0.720 -1.314 18.628
138 2H2* C 12 1H2' C 12 4.308 -1.164 20.485
139 1H2* C 12 2H2' C 12 2.604 -1.754 20.382
140 H3 C 12 H3 C 12 2.268 3.254 18.430
141 1H5* C 1 1H5' C 1 7.254 3.822 -18.801
142 2H5* C 1 2H5' C 1 7.717 5.215 -17.807
143 H4* C 1 H4' C 1 5.401 5.411 -18.418
144 H3* C 1 H3' C 1 6.222 5.557 -15.735
145 H1* C 1 H1' C 1 3.049 3.978 -16.979
146 1H4 C 1 1H4 C 1 3.521 -2.686 -16.499
147 2H4 C 1 2H4 C 1 1.904 -2.159 -17.011
148 H5 C 1 H5 C 1 5.271 -0.977 -16.112
149 H6 C 1 H6 C 1 5.711 1.410 -16.207
150 2H2* C 1 1H2' C 1 3.995 4.303 -14.782
151 1H2* C 1 2H2' C 1 5.457 3.390 -15.192
152 1H5* C 2 1H5' C 2 1.679 6.427 -16.776
153 2H5* C 2 2H5' C 2 1.115 7.786 -15.790
154 H4* C 2 H4' C 2 -0.633 6.109 -16.205
155 H3* C 2 H3' C 2 0.067 7.061 -13.542
156 H1* C 2 H1' C 2 -1.346 3.744 -14.809
157 1H4 C 2 1H4 C 2 3.221 -0.836 -13.107
158 2H4 C 2 2H4 C 2 1.723 -1.603 -13.667
159 H5 C 2 H5 C 2 3.420 1.597 -13.129
160 H6 C 2 H6 C 2 2.230 3.652 -13.598
161 2H2* C 2 1H2' C 2 -1.327 4.758 -12.690
162 1H2* C 2 2H2' C 2 0.423 4.976 -12.641
163 1H5* T 3 1H5' T 3 -3.990 5.129 -14.533
164 2H5* T 3 2H5' T 3 -5.307 6.177 -13.983
165 H4* T 3 H4' T 3 -5.803 3.734 -14.023
166 H3* T 3 H3' T 3 -6.727 5.515 -12.109
167 1H2* T 3 2H2' T 3 -5.073 5.079 -10.550
168 2H2* T 3 1H2' T 3 -6.246 3.897 -9.952
169 H1* T 3 H1' T 3 -5.346 2.120 -11.212
170 H3 T 3 H3 T 3 -1.271 0.470 -9.982
171 1H5M T 3 1H5M T 3 -0.980 5.363 -8.258
172 2H5M T 3 2H5M T 3 0.450 4.761 -9.116
173 3H5M T 3 3H5M T 3 -0.720 5.784 -9.963
174 H6 T 3 H6 T 3 -3.074 4.935 -10.089
175 1H5* A 4 1H5' A 4 -7.479 1.017 -11.973
176 2H5* A 4 2H5' A 4 -9.179 0.690 -11.617
177 H4* A 4 H4' A 4 -7.814 -1.131 -10.885
178 H3* A 4 H3' A 4 -9.512 0.341 -8.998
179 H1* A 4 H1' A 4 -6.361 -1.773 -8.643
180 H8 A 4 H8 A 4 -5.848 1.743 -7.183
181 1H6 A 4 1H6 A 4 0.245 0.018 -7.192
182 2H6 A 4 2H6 A 4 -0.743 1.430 -6.836
183 H2 A 4 H2 A 4 -2.173 -3.387 -8.022
184 2H2* A 4 1H2' A 4 -7.968 -0.887 -7.009
185 1H2* A 4 2H2' A 4 -7.734 0.763 -7.580
186 1H5* T 5 1H5' T 5 -7.892 -3.747 -8.431
187 2H5* T 5 2H5' T 5 -8.941 -4.903 -7.593
188 H4* T 5 H4' T 5 -6.712 -5.147 -6.778
189 H3* T 5 H3' T 5 -8.862 -4.400 -4.963
190 1H2* T 5 2H2' T 5 -7.840 -2.340 -4.743
191 2H2* T 5 1H2' T 5 -7.076 -3.056 -3.340
192 H1* T 5 H1' T 5 -5.266 -3.988 -4.823
193 H3 T 5 H3 T 5 -2.017 -0.987 -4.295
194 1H5M T 5 1H5M T 5 -5.587 1.301 -1.866
195 2H5M T 5 2H5M T 5 -5.277 2.418 -3.216
196 3H5M T 5 3H5M T 5 -6.779 1.489 -3.183
197 H6 T 5 H6 T 5 -6.786 -0.610 -4.245
198 1H5* T 6 1H5' T 6 -4.834 -6.529 -4.256
199 2H5* T 6 2H5' T 6 -5.315 -7.932 -3.292
200 H4* T 6 H4' T 6 -2.933 -7.567 -3.166
201 H3* T 6 H3' T 6 -4.661 -7.781 -0.870
202 1H2* T 6 2H2' T 6 -4.117 -5.819 0.148
203 2H2* T 6 1H2' T 6 -2.538 -6.512 0.517
204 H1* T 6 H1' T 6 -1.454 -5.536 -1.278
205 H3 T 6 H3 T 6 -1.418 -0.977 -0.730
206 1H5M T 6 1H5M T 6 -6.647 -2.622 -0.919
207 2H5M T 6 2H5M T 6 -6.187 -1.384 0.257
208 3H5M T 6 3H5M T 6 -6.215 -0.998 -1.469
209 H6 T 6 H6 T 6 -4.970 -4.197 -1.156
210 1H5* A 7 1H5' A 7 -0.226 -8.157 -0.291
211 2H5* A 7 2H5' A 7 0.216 -9.575 0.674
212 H4* A 7 H4' A 7 1.647 -7.685 1.183
213 H3* A 7 H3' A 7 0.095 -9.057 3.241
214 H1* A 7 H1' A 7 1.349 -5.462 2.994
215 H8 A 7 H8 A 7 -2.575 -5.583 3.335
216 1H6 A 7 1H6 A 7 -2.202 0.515 2.029
217 2H6 A 7 2H6 A 7 -3.309 -0.763 2.512
218 H2 A 7 H2 A 7 1.887 -1.116 2.210
219 2H2* A 7 1H2' A 7 0.441 -6.789 4.802
220 1H2* A 7 2H2' A 7 -1.027 -7.159 3.876
221 1H5* A 8 1H5' A 8 4.298 -6.993 3.508
222 2H5* A 8 2H5' A 8 5.257 -7.973 4.626
223 H4* A 8 H4' A 8 6.113 -5.731 4.454
224 H3* A 8 H3' A 8 5.683 -7.036 6.887
225 H1* A 8 H1' A 8 4.789 -3.312 6.310
226 H8 A 8 H8 A 8 1.658 -5.687 6.471
227 1H6 A 8 1H6 A 8 -1.560 -0.448 5.403
228 2H6 A 8 2H6 A 8 -1.693 -2.166 5.761
229 H2 A 8 H2 A 8 2.769 0.552 5.465
230 2H2* A 8 1H2' A 8 4.839 -4.785 8.183
231 1H2* A 8 2H2' A 8 3.718 -5.928 7.429
232 1H5* A 9 1H5' A 9 8.098 -2.835 6.662
233 2H5* A 9 2H5' A 9 9.470 -3.085 7.753
234 H4* A 9 H4' A 9 8.885 -0.739 7.590
235 H3* A 9 H3' A 9 9.441 -1.958 9.993
236 H1* A 9 H1' A 9 6.429 0.364 9.617
237 H8 A 9 H8 A 9 5.281 -3.355 9.921
238 1H6 A 9 1H6 A 9 -0.383 -1.156 8.694
239 2H6 A 9 2H6 A 9 0.582 -2.585 9.052
240 H2 A 9 H2 A 9 2.499 2.235 8.391
241 2H2* A 9 1H2' A 9 7.378 -0.959 11.395
242 1H2* A 9 2H2' A 9 7.197 -2.462 10.498
243 1H5* T 10 1H5' T 10 8.199 2.614 9.936
244 2H5* T 10 2H5' T 10 9.110 3.510 11.160
245 H4* T 10 H4' T 10 6.864 4.418 10.743
246 H3* T 10 H3' T 10 7.879 3.853 13.387
247 1H2* T 10 2H2' T 10 6.271 2.334 13.901
248 2H2* T 10 1H2' T 10 5.260 3.739 14.220
249 H1* T 10 H1' T 10 4.327 3.774 12.019
250 H3 T 10 H3 T 10 1.155 0.485 11.734
251 1H5M T 10 1H5M T 10 5.785 -1.947 13.173
252 2H5M T 10 2H5M T 10 4.539 -2.081 14.435
253 3H5M T 10 3H5M T 10 4.299 -2.852 12.858
254 H6 T 10 H6 T 10 5.733 0.456 13.163
255 1H5* C 11 1H5' C 11 4.561 6.914 12.171
256 2H5* C 11 2H5' C 11 4.634 8.354 13.199
257 H4* C 11 H4' C 11 2.384 7.911 12.307
258 H3* C 11 H3' C 11 2.956 8.517 15.007
259 H1* C 11 H1' C 11 0.320 5.934 13.787
260 1H4 C 11 1H4 C 11 3.261 0.221 15.683
261 2H4 C 11 2H4 C 11 1.604 -0.122 15.179
262 H5 C 11 H5 C 11 4.100 2.479 15.787
263 H6 C 11 H6 C 11 3.585 4.789 15.278
264 2H2* C 11 1H2' C 11 0.731 7.056 15.804
265 1H2* C 11 2H2' C 11 2.402 6.494 15.917
266 1H5* C 12 1H5' C 12 -1.019 8.673 16.210
267 2H5* C 12 2H5' C 12 -1.306 10.290 16.875
268 H4* C 12 H4' C 12 -1.492 8.570 18.616
269 H3* C 12 H3' C 12 0.054 10.901 18.953
270 H1* C 12 H1' C 12 0.893 7.517 20.219
271 1H4 C 12 1H4 C 12 5.841 4.699 16.756
272 2H4 C 12 2H4 C 12 4.919 3.463 17.707
273 H5 C 12 H5 C 12 5.303 7.062 17.036
274 H6 C 12 H6 C 12 3.608 8.569 17.839
275 2H2* C 12 1H2' C 12 2.006 9.646 20.357
276 1H2* C 12 2H2' C 12 2.091 9.803 18.577