NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11282 |
1r7z   |
6077 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 1H5* G 1 -0.719 -13.897 0.581
2 2H5* G 1 2H5* G 1 0.752 -13.878 -0.394
3 H4* G 1 H4* G 1 0.005 -16.033 1.595
4 H3* G 1 H3* G 1 1.972 -13.741 1.815
5 H2* G 1 H2* G 1 3.321 -15.141 3.202
6 2HO* G 1 2HO* G 1 1.157 -17.008 3.081
7 H1* G 1 H1* G 1 3.060 -17.339 1.596
8 H8 G 1 H8 G 1 3.254 -14.377 -0.708
9 H1 G 1 H1 G 1 8.947 -15.982 1.719
10 1H2 G 1 1H2 G 1 8.697 -17.445 3.355
11 2H2 G 1 2H2 G 1 7.125 -18.036 3.846
12 1H5* G 2 1H5* G 2 1.388 -15.109 5.914
13 2H5* G 2 2H5* G 2 1.546 -13.693 6.989
14 H4* G 2 H4* G 2 3.159 -15.634 7.394
15 H3* G 2 H3* G 2 4.270 -12.871 6.831
16 H2* G 2 H2* G 2 6.439 -13.751 7.319
17 2HO* G 2 2HO* G 2 6.639 -15.894 8.157
18 H1* G 2 H1* G 2 5.984 -16.134 5.955
19 H8 G 2 H8 G 2 4.514 -13.637 3.658
20 H1 G 2 H1 G 2 10.891 -13.209 3.782
21 1H2 G 2 1H2 G 2 11.704 -14.332 5.503
22 2H2 G 2 2H2 G 2 10.674 -15.202 6.619
23 1H5* A 3 1H5* A 3 6.079 -13.922 10.758
24 2H5* A 3 2H5* A 3 5.983 -12.410 11.701
25 H4* A 3 H4* A 3 8.279 -13.349 11.625
26 H3* A 3 H3* A 3 7.904 -10.724 10.162
27 H2* A 3 H2* A 3 10.304 -10.668 9.899
28 2HO* A 3 2HO* A 3 11.553 -12.382 10.844
29 H1* A 3 H1* A 3 10.418 -13.275 9.062
30 H8 A 3 H8 A 3 7.178 -11.998 7.670
31 1H6 A 3 1H6 A 3 10.476 -9.258 3.198
32 2H6 A 3 2H6 A 3 8.868 -9.706 3.728
33 H2 A 3 H2 A 3 13.293 -10.695 6.385
34 1H5* G 4 1H5* G 4 11.004 -9.981 12.923
35 2H5* G 4 2H5* G 4 10.824 -8.382 13.688
36 H4* G 4 H4* G 4 13.061 -8.693 12.687
37 H3* G 4 H3* G 4 11.319 -6.646 11.292
38 H2* G 4 H2* G 4 13.222 -6.090 9.938
39 2HO* G 4 2HO* G 4 14.868 -6.296 11.539
40 H1* G 4 H1* G 4 13.826 -8.705 9.415
41 H8 G 4 H8 G 4 10.107 -8.724 9.613
42 H1 G 4 H1 G 4 12.234 -5.968 4.259
43 1H2 G 4 1H2 G 4 14.400 -5.567 4.410
44 2H2 G 4 2H2 G 4 15.328 -5.997 5.829
45 1H5* G 5 1H5* G 5 14.964 -4.269 12.119
46 2H5* G 5 2H5* G 5 14.324 -2.725 12.740
47 H4* G 5 H4* G 5 15.910 -2.481 10.814
48 H3* G 5 H3* G 5 13.058 -1.556 10.379
49 H2* G 5 H2* G 5 13.752 -0.688 8.249
50 2HO* G 5 2HO* G 5 15.953 -0.691 7.673
51 H1* G 5 H1* G 5 15.154 -2.951 7.583
52 H8 G 5 H8 G 5 12.237 -4.297 9.491
53 H1 G 5 H1 G 5 10.574 -2.263 3.664
54 1H2 G 5 1H2 G 5 12.218 -1.089 2.757
55 2H2 G 5 2H2 G 5 13.723 -0.797 3.598
56 1H5* A 6 1H5* A 6 15.923 1.876 9.547
57 2H5* A 6 2H5* A 6 15.018 3.380 9.869
58 H4* A 6 H4* A 6 16.097 3.054 7.533
59 H3* A 6 H3* A 6 13.176 3.796 7.836
60 H2* A 6 H2* A 6 13.088 4.032 5.459
61 2HO* A 6 2HO* A 6 14.993 3.932 4.215
62 H1* A 6 H1* A 6 14.541 1.748 4.980
63 H8 A 6 H8 A 6 12.241 1.013 7.885
64 1H6 A 6 1H6 A 6 7.784 0.018 3.723
65 2H6 A 6 2H6 A 6 8.239 -0.127 5.403
66 H2 A 6 H2 A 6 11.300 1.840 1.607
67 1H5* C 7 1H5* C 7 14.864 6.499 5.032
68 2H5* C 7 2H5* C 7 14.037 8.077 5.123
69 H4* C 7 H4* C 7 13.918 6.887 2.883
70 H3* C 7 H3* C 7 11.318 7.509 4.294
71 H2* C 7 H2* C 7 10.207 6.836 2.264
72 2HO* C 7 2HO* C 7 11.755 7.699 0.762
73 H1* C 7 H1* C 7 11.731 4.569 2.025
74 1H4 C 7 1H4 C 7 6.577 3.003 5.481
75 2H4 C 7 2H4 C 7 7.474 3.320 6.948
76 H5 C 7 H5 C 7 9.734 4.286 6.947
77 H6 C 7 H6 C 7 11.504 5.115 5.534
78 1H5* A 8 1H5* A 8 10.696 9.715 0.478
79 2H5* A 8 2H5* A 8 9.635 11.075 0.939
80 H4* A 8 H4* A 8 8.757 9.347 -0.781
81 H3* A 8 H3* A 8 7.152 10.110 1.672
82 H2* A 8 H2* A 8 5.359 8.761 0.796
83 2HO* A 8 2HO* A 8 5.646 7.709 -1.236
84 H1* A 8 H1* A 8 6.950 6.644 0.320
85 H8 A 8 H8 A 8 8.820 7.569 3.257
86 1H6 A 8 1H6 A 8 3.983 6.257 6.872
87 2H6 A 8 2H6 A 8 5.702 6.566 6.829
88 H2 A 8 H2 A 8 2.543 6.530 2.643
89 1H5* U 9 1H5* U 9 4.785 10.173 -1.308
90 2H5* U 9 2H5* U 9 3.577 11.468 -1.517
91 H4* U 9 H4* U 9 2.819 8.976 -1.368
92 H3* U 9 H3* U 9 1.280 11.103 -1.090
93 H2* U 9 H2* U 9 2.224 11.591 1.033
94 2HO* U 9 2HO* U 9 -0.292 10.366 1.572
95 H1* U 9 H1* U 9 1.345 8.764 1.738
96 H3 U 9 H3 U 9 2.015 9.999 6.121
97 H5 U 9 H5 U 9 5.782 10.309 4.287
98 H6 U 9 H6 U 9 4.704 9.920 2.161
99 1H5* U 10 1H5* U 10 -2.536 11.695 -2.070
100 2H5* U 10 2H5* U 10 -1.086 12.345 -1.273
101 H4* U 10 H4* U 10 -3.773 11.986 0.093
102 H3* U 10 H3* U 10 -3.427 13.964 -1.755
103 H2* U 10 H2* U 10 -1.316 14.673 -0.820
104 2HO* U 10 2HO* U 10 -2.769 16.502 -0.986
105 H1* U 10 H1* U 10 -2.636 14.659 1.899
106 H3 U 10 H3 U 10 1.084 15.691 4.197
107 H5 U 10 H5 U 10 2.601 13.595 0.875
108 H6 U 10 H6 U 10 0.334 13.362 0.060
109 1H5* C 11 1H5* C 11 -7.447 15.900 1.912
110 2H5* C 11 2H5* C 11 -5.937 14.954 1.846
111 H4* C 11 H4* C 11 -8.534 13.601 1.214
112 H3* C 11 H3* C 11 -8.304 14.855 3.726
113 H2* C 11 H2* C 11 -6.531 13.496 4.481
114 2HO* C 11 2HO* C 11 -7.436 11.616 5.567
115 H1* C 11 H1* C 11 -7.731 11.163 2.983
116 1H4 C 11 1H4 C 11 -2.209 8.491 4.709
117 2H4 C 11 2H4 C 11 -1.305 9.860 4.102
118 H5 C 11 H5 C 11 -2.389 11.864 3.177
119 H6 C 11 H6 C 11 -4.511 12.896 2.674
120 1H5* C 12 1H5* C 12 -11.069 11.459 4.433
121 2H5* C 12 2H5* C 12 -12.221 11.254 3.094
122 H4* C 12 H4* C 12 -13.999 10.950 4.484
123 H3* C 12 H3* C 12 -13.466 13.285 5.744
124 H2* C 12 H2* C 12 -11.558 12.465 6.941
125 2HO* C 12 2HO* C 12 -13.023 13.363 8.480
126 H1* C 12 H1* C 12 -13.095 9.987 7.766
127 1H4 C 12 1H4 C 12 -7.264 7.916 9.262
128 2H4 C 12 2H4 C 12 -6.528 8.883 8.004
129 H5 C 12 H5 C 12 -7.827 10.342 6.512
130 H6 C 12 H6 C 12 -10.043 11.119 5.983
131 1H5* U 13 1H5* U 13 -18.135 10.526 4.538
132 2H5* U 13 2H5* U 13 -17.653 8.867 4.971
133 H4* U 13 H4* U 13 -16.781 10.509 2.605
134 H3* U 13 H3* U 13 -18.893 8.947 2.487
135 H2* U 13 H2* U 13 -17.890 7.172 3.809
136 2HO* U 13 2HO* U 13 -17.442 5.444 2.264
137 H1* U 13 H1* U 13 -15.515 7.089 1.954
138 H3 U 13 H3 U 13 -13.852 3.915 4.806
139 H5 U 13 H5 U 13 -14.786 7.194 7.297
140 H6 U 13 H6 U 13 -15.771 8.255 5.396
141 1H5* C 14 1H5* C 14 -15.022 8.844 -0.986
142 2H5* C 14 2H5* C 14 -14.660 8.447 0.713
143 H4* C 14 H4* C 14 -13.248 10.615 -0.881
144 H3* C 14 H3* C 14 -12.492 7.734 -0.380
145 H2* C 14 H2* C 14 -10.220 8.326 -0.046
146 2HO* C 14 2HO* C 14 -9.454 10.405 -0.613
147 H1* C 14 H1* C 14 -10.717 10.674 1.320
148 1H4 C 14 1H4 C 14 -9.588 6.114 5.682
149 2H4 C 14 2H4 C 14 -11.314 5.970 5.903
150 H5 C 14 H5 C 14 -12.930 7.128 4.491
151 H6 C 14 H6 C 14 -13.196 8.622 2.617
152 1H5* A 15 1H5* A 15 -9.413 8.354 -2.245
153 2H5* A 15 2H5* A 15 -9.222 7.374 -3.720
154 H4* A 15 H4* A 15 -7.318 6.990 -2.280
155 H3* A 15 H3* A 15 -9.278 4.695 -2.333
156 H2* A 15 H2* A 15 -7.905 3.440 -0.823
157 2HO* A 15 2HO* A 15 -5.813 4.168 -0.295
158 H1* A 15 H1* A 15 -7.406 5.539 0.860
159 H8 A 15 H8 A 15 -10.792 5.411 -0.846
160 1H6 A 15 1H6 A 15 -12.706 2.573 4.378
161 2H6 A 15 2H6 A 15 -13.251 3.233 2.849
162 H2 A 15 H2 A 15 -8.252 3.207 4.526
163 1H5* C 16 1H5* C 16 -5.691 2.782 -3.113
164 2H5* C 16 2H5* C 16 -5.851 1.544 -4.389
165 H4* C 16 H4* C 16 -5.024 0.627 -2.237
166 H3* C 16 H3* C 16 -7.771 -0.298 -3.111
167 H2* C 16 H2* C 16 -7.743 -1.831 -1.274
168 2HO* C 16 2HO* C 16 -5.827 -2.123 -0.051
169 H1* C 16 H1* C 16 -6.619 0.011 0.481
170 1H4 C 16 1H4 C 16 -12.862 0.269 1.656
171 2H4 C 16 2H4 C 16 -13.115 1.315 0.273
172 H5 C 16 H5 C 16 -11.315 1.900 -1.301
173 H6 C 16 H6 C 16 -8.970 1.585 -1.811
174 1H5* G 17 1H5* G 17 -4.988 -3.638 -2.628
175 2H5* G 17 2H5* G 17 -5.250 -4.877 -3.883
176 H4* G 17 H4* G 17 -5.099 -5.867 -1.634
177 H3* G 17 H3* G 17 -7.839 -5.999 -2.914
178 H2* G 17 H2* G 17 -8.571 -7.328 -1.046
179 2HO* G 17 2HO* G 17 -7.067 -8.020 0.520
180 H1* G 17 H1* G 17 -7.425 -5.673 0.812
181 H8 G 17 H8 G 17 -8.556 -3.450 -2.015
182 H1 G 17 H1 G 17 -13.346 -5.281 1.800
183 1H2 G 17 1H2 G 17 -12.672 -6.891 3.160
184 2H2 G 17 2H2 G 17 -11.035 -7.509 3.128
185 1H5* G 18 1H5* G 18 -7.056 -9.832 -1.669
186 2H5* G 18 2H5* G 18 -7.508 -11.051 -2.891
187 H4* G 18 H4* G 18 -8.561 -11.443 -0.670
188 H3* G 18 H3* G 18 -10.440 -10.722 -2.932
189 H2* G 18 H2* G 18 -12.265 -11.158 -1.453
190 2HO* G 18 2HO* G 18 -11.349 -13.084 -0.496
191 H1* G 18 H1* G 18 -10.994 -9.986 0.753
192 H8 G 18 H8 G 18 -10.491 -7.834 -2.328
193 H1 G 18 H1 G 18 -16.191 -6.993 0.469
194 1H2 G 18 1H2 G 18 -16.527 -8.550 2.004
195 2H2 G 18 2H2 G 18 -15.347 -9.797 2.339
196 1H5* G 19 1H5* G 19 -13.030 -14.204 -5.120
197 2H5* G 19 2H5* G 19 -13.041 -12.419 -5.096
198 H4* G 19 H4* G 19 -14.647 -14.259 -3.295
199 H3* G 19 H3* G 19 -15.460 -12.459 -5.589
200 H2* G 19 H2* G 19 -17.576 -12.157 -4.502
201 2HO* G 19 2HO* G 19 -17.894 -13.311 -2.450
202 H1* G 19 H1* G 19 -16.442 -11.712 -2.047
203 H8 G 19 H8 G 19 -14.661 -10.504 -5.283
204 H1 G 19 H1 G 19 -18.211 -6.099 -2.301
205 1H2 G 19 1H2 G 19 -19.260 -7.001 -0.586
206 2H2 G 19 2H2 G 19 -19.090 -8.692 -0.170
207 1H5* U 20 1H5* U 20 -17.123 -12.348 -8.329
208 2H5* U 20 2H5* U 20 -17.425 -12.853 -6.649
209 H4* U 20 H4* U 20 -19.079 -13.527 -9.098
210 H3* U 20 H3* U 20 -19.685 -11.969 -6.571
211 H2* U 20 H2* U 20 -21.966 -12.623 -6.805
212 2HO* U 20 2HO* U 20 -22.097 -12.194 -9.101
213 H1* U 20 H1* U 20 -21.319 -15.182 -7.831
214 H3 U 20 H3 U 20 -22.967 -16.892 -4.058
215 H5 U 20 H5 U 20 -20.411 -13.878 -2.630
216 H6 U 20 H6 U 20 -19.884 -13.316 -4.934
217 1H5* G 21 1H5* G 21 -21.329 -8.458 -6.026
218 2H5* G 21 2H5* G 21 -20.454 -9.849 -5.328
219 H4* G 21 H4* G 21 -23.456 -9.481 -5.160
220 H3* G 21 H3* G 21 -21.315 -8.706 -3.174
221 H2* G 21 H2* G 21 -22.836 -9.280 -1.416
222 2HO* G 21 2HO* G 21 -24.796 -8.534 -2.300
223 H1* G 21 H1* G 21 -23.576 -11.633 -2.545
224 H8 G 21 H8 G 21 -19.912 -10.646 -3.194
225 H1 G 21 H1 G 21 -20.841 -14.117 2.092
226 1H2 G 21 1H2 G 21 -23.001 -14.394 2.459
227 2H2 G 21 2H2 G 21 -24.222 -13.717 1.406
228 1H5* A 22 1H5* A 22 -24.748 -5.924 -2.213
229 2H5* A 22 2H5* A 22 -24.210 -4.721 -1.011
230 H4* A 22 H4* A 22 -25.915 -6.521 -0.272
231 H3* A 22 H3* A 22 -23.351 -6.094 1.273
232 H2* A 22 H2* A 22 -24.249 -7.596 2.929
233 2HO* A 22 2HO* A 22 -26.484 -6.879 2.711
234 H1* A 22 H1* A 22 -25.009 -9.422 1.023
235 H8 A 22 H8 A 22 -21.846 -7.950 -0.321
236 1H6 A 22 1H6 A 22 -18.723 -11.631 3.528
237 2H6 A 22 2H6 A 22 -18.600 -10.548 2.160
238 H2 A 22 H2 A 22 -23.041 -11.754 4.671
239 1H5* C 23 1H5* C 23 -24.493 -5.691 3.898
240 2H5* C 23 2H5* C 23 -23.860 -4.591 5.144
241 H4* C 23 H4* C 23 -22.925 -6.946 5.159
242 H3* C 23 H3* C 23 -21.007 -4.640 4.763
243 H2* C 23 H2* C 23 -19.222 -6.230 4.958
244 2HO* C 23 2HO* C 23 -19.661 -8.383 5.557
245 H1* C 23 H1* C 23 -20.471 -8.089 3.330
246 1H4 C 23 1H4 C 23 -16.653 -4.659 -0.472
247 2H4 C 23 2H4 C 23 -17.938 -3.499 -0.729
248 H5 C 23 H5 C 23 -20.079 -3.596 0.473
249 H6 C 23 H6 C 23 -21.370 -4.828 2.111
250 1H5* C 24 1H5* C 24 -19.696 -6.900 8.197
251 2H5* C 24 2H5* C 24 -18.836 -5.847 9.353
252 H4* C 24 H4* C 24 -17.501 -7.805 8.493
253 H3* C 24 H3* C 24 -16.457 -5.036 7.850
254 H2* C 24 H2* C 24 -14.474 -6.121 7.039
255 2HO* C 24 2HO* C 24 -14.207 -8.377 7.324
256 H1* C 24 H1* C 24 -15.910 -8.097 5.718
257 1H4 C 24 1H4 C 24 -14.731 -3.612 1.332
258 2H4 C 24 2H4 C 24 -16.078 -2.658 1.908
259 H5 C 24 H5 C 24 -17.396 -3.269 3.886
260 H6 C 24 H6 C 24 -17.655 -4.902 5.646
261 1H5* G 25 1H5* G 25 -13.432 -7.135 9.862
262 2H5* G 25 2H5* G 25 -12.453 -6.099 10.934
263 H4* G 25 H4* G 25 -11.107 -7.360 9.254
264 H3* G 25 H3* G 25 -11.119 -4.342 8.998
265 H2* G 25 H2* G 25 -9.468 -4.562 7.274
266 2HO* G 25 2HO* G 25 -8.590 -6.634 6.799
267 H1* G 25 H1* G 25 -10.789 -6.609 6.007
268 H8 G 25 H8 G 25 -13.587 -4.436 7.211
269 H1 G 25 H1 G 25 -10.418 -1.799 2.290
270 1H2 G 25 1H2 G 25 -8.524 -2.911 1.920
271 2H2 G 25 2H2 G 25 -8.052 -4.292 2.884
272 1H5* U 26 1H5* U 26 -7.204 -5.053 8.757
273 2H5* U 26 2H5* U 26 -6.246 -3.892 9.713
274 H4* U 26 H4* U 26 -5.779 -3.948 7.212
275 H3* U 26 H3* U 26 -6.659 -1.359 8.505
276 H2* U 26 H2* U 26 -6.349 -0.263 6.415
277 2HO* U 26 2HO* U 26 -5.225 -1.264 4.722
278 H1* U 26 H1* U 26 -7.326 -2.403 4.893
279 H3 U 26 H3 U 26 -9.987 1.371 4.543
280 H5 U 26 H5 U 26 -11.558 -0.920 7.702
281 H6 U 26 H6 U 26 -9.573 -2.304 7.596
282 1H5* G 27 1H5* G 27 -2.937 -1.263 6.292
283 2H5* G 27 2H5* G 27 -1.756 -0.050 6.845
284 H4* G 27 H4* G 27 -2.826 -0.198 4.324
285 H3* G 27 H3* G 27 -0.939 1.456 5.442
286 H2* G 27 H2* G 27 -2.532 2.893 6.471
287 2HO* G 27 2HO* G 27 -1.164 4.161 5.073
288 H1* G 27 H1* G 27 -4.131 2.866 3.895
289 H8 G 27 H8 G 27 -4.886 2.212 7.623
290 H1 G 27 H1 G 27 -8.192 6.985 4.956
291 1H2 G 27 1H2 G 27 -7.527 7.322 2.875
292 2H2 G 27 2H2 G 27 -6.263 6.356 2.143
293 1H5* G 28 1H5* G 28 -1.898 2.661 0.655
294 2H5* G 28 2H5* G 28 -2.130 1.159 -0.275
295 H4* G 28 H4* G 28 -0.934 2.440 -1.766
296 H3* G 28 H3* G 28 1.018 0.836 -0.138
297 H2* G 28 H2* G 28 2.883 1.940 -1.089
298 2HO* G 28 2HO* G 28 2.596 3.396 -2.848
299 H1* G 28 H1* G 28 1.923 4.434 -0.901
300 H8 G 28 H8 G 28 0.368 2.806 2.098
301 H1 G 28 H1 G 28 6.600 3.980 2.897
302 1H2 G 28 1H2 G 28 7.538 4.518 0.972
303 2H2 G 28 2H2 G 28 6.627 4.590 -0.521
304 1H5* U 29 1H5* U 29 2.399 0.471 -4.124
305 2H5* U 29 2H5* U 29 2.926 -1.195 -4.492
306 H4* U 29 H4* U 29 4.688 0.498 -4.925
307 H3* U 29 H3* U 29 5.244 -1.422 -2.652
308 H2* U 29 H2* U 29 7.416 -0.487 -2.516
309 2HO* U 29 2HO* U 29 8.216 0.873 -4.152
310 H1* U 29 H1* U 29 6.557 2.115 -3.043
311 H3 U 29 H3 U 29 8.343 1.799 1.246
312 H5 U 29 H5 U 29 4.327 0.551 1.568
313 H6 U 29 H6 U 29 4.192 0.588 -0.837
314 1H5* C 30 1H5* C 30 8.591 -1.425 -5.359
315 2H5* C 30 2H5* C 30 9.494 -2.958 -5.236
316 H4* C 30 H4* C 30 10.646 -0.691 -4.567
317 H3* C 30 H3* C 30 10.780 -3.207 -2.898
318 H2* C 30 H2* C 30 12.192 -2.063 -1.353
319 2HO* C 30 2HO* C 30 13.061 -0.018 -1.862
320 H1* C 30 H1* C 30 10.771 0.313 -1.445
321 1H4 C 30 1H4 C 30 8.725 -3.077 3.626
322 2H4 C 30 2H4 C 30 7.298 -3.481 2.704
323 H5 C 30 H5 C 30 7.032 -2.922 0.339
324 H6 C 30 H6 C 30 8.099 -1.897 -1.563
325 1H5* C 31 1H5* C 31 14.659 -1.902 -3.027
326 2H5* C 31 2H5* C 31 15.810 -3.222 -3.363
327 H4* C 31 H4* C 31 16.358 -2.026 -1.274
328 H3* C 31 H3* C 31 15.410 -4.880 -0.960
329 H2* C 31 H2* C 31 15.827 -4.726 1.388
330 2HO* C 31 2HO* C 31 17.029 -2.194 0.797
331 H1* C 31 H1* C 31 14.750 -2.204 1.642
332 1H4 C 31 1H4 C 31 10.035 -6.299 2.992
333 2H4 C 31 2H4 C 31 9.534 -6.266 1.317
334 H5 C 31 H5 C 31 10.810 -5.105 -0.432
335 H6 C 31 H6 C 31 12.781 -3.789 -0.862
336 1H5* U 32 1H5* U 32 18.303 -5.181 1.645
337 2H5* U 32 2H5* U 32 19.551 -6.249 0.958
338 H4* U 32 H4* U 32 19.177 -7.096 3.112
339 H3* U 32 H3* U 32 17.476 -8.672 1.178
340 H2* U 32 H2* U 32 16.815 -10.062 2.988
341 2HO* U 32 2HO* U 32 17.791 -9.849 5.032
342 H1* U 32 H1* U 32 16.335 -8.027 4.692
343 H3 U 32 H3 U 32 12.293 -9.538 3.442
344 H5 U 32 H5 U 32 13.470 -7.043 0.277
345 H6 U 32 H6 U 32 15.672 -6.877 1.321
346 1H5* C 33 1H5* C 33 19.615 -11.356 3.743
347 2H5* C 33 2H5* C 33 20.045 -12.854 2.879
348 H4* C 33 H4* C 33 18.752 -13.260 4.970
349 H3* C 33 H3* C 33 17.331 -13.993 2.397
350 H2* C 33 H2* C 33 15.643 -14.989 3.755
351 2HO* C 33 2HO* C 33 15.932 -15.144 6.026
352 H1* C 33 H1* C 33 15.584 -12.896 5.551
353 1H4 C 33 1H4 C 33 10.968 -11.691 1.317
354 2H4 C 33 2H4 C 33 12.127 -10.974 0.219
355 H5 C 33 H5 C 33 14.553 -10.974 0.650
356 H6 C 33 H6 C 33 16.266 -11.677 2.202
357 1H5* C 34 1H5* C 34 17.196 -17.308 5.167
358 2H5* C 34 2H5* C 34 17.308 -18.821 4.239
359 H4* C 34 H4* C 34 15.312 -18.651 5.770
360 H3* C 34 H3* C 34 14.804 -18.951 2.799
361 H2* C 34 H2* C 34 12.482 -19.194 3.302
362 2HO* C 34 2HO* C 34 11.803 -19.395 5.496
363 H1* C 34 H1* C 34 12.494 -17.195 5.252
364 1H4 C 34 1H4 C 34 10.397 -14.447 -0.117
365 2H4 C 34 2H4 C 34 12.046 -14.126 -0.611
366 H5 C 34 H5 C 34 14.000 -14.956 0.632
367 H6 C 34 H6 C 34 14.701 -16.230 2.562
Start of MODEL 2
1 1H5* G 1 1H5* G 1 -2.107 -11.432 0.942
2 2H5* G 1 2H5* G 1 -0.692 -11.604 -0.097
3 H4* G 1 H4* G 1 -1.727 -13.717 1.807
4 H3* G 1 H3* G 1 0.608 -11.804 2.051
5 H2* G 1 H2* G 1 1.754 -13.489 3.298
6 2HO* G 1 2HO* G 1 0.701 -15.359 3.980
7 H1* G 1 H1* G 1 1.085 -15.504 1.582
8 H8 G 1 H8 G 1 1.638 -12.471 -0.561
9 H1 G 1 H1 G 1 7.112 -15.057 1.495
10 1H2 G 1 1H2 G 1 6.707 -16.552 3.073
11 2H2 G 1 2H2 G 1 5.084 -16.921 3.612
12 1H5* G 2 1H5* G 2 0.005 -13.242 6.125
13 2H5* G 2 2H5* G 2 0.442 -11.910 7.229
14 H4* G 2 H4* G 2 1.749 -14.099 7.472
15 H3* G 2 H3* G 2 3.243 -11.514 6.958
16 H2* G 2 H2* G 2 5.272 -12.734 7.295
17 2HO* G 2 2HO* G 2 5.198 -14.897 8.060
18 H1* G 2 H1* G 2 4.389 -14.957 5.866
19 H8 G 2 H8 G 2 3.218 -12.219 3.700
20 H1 G 2 H1 G 2 9.598 -12.622 3.626
21 1H2 G 2 1H2 G 2 10.308 -13.902 5.282
22 2H2 G 2 2H2 G 2 9.207 -14.671 6.405
23 1H5* A 3 1H5* A 3 5.062 -13.030 10.779
24 2H5* A 3 2H5* A 3 5.112 -11.565 11.797
25 H4* A 3 H4* A 3 7.300 -12.690 11.729
26 H3* A 3 H3* A 3 7.220 -10.049 10.247
27 H2* A 3 H2* A 3 9.612 -10.244 10.006
28 2HO* A 3 2HO* A 3 10.677 -12.061 10.968
29 H1* A 3 H1* A 3 9.461 -12.841 9.161
30 H8 A 3 H8 A 3 6.356 -11.231 7.801
31 1H6 A 3 1H6 A 3 9.872 -8.849 3.302
32 2H6 A 3 2H6 A 3 8.234 -9.124 3.853
33 H2 A 3 H2 A 3 12.562 -10.584 6.449
34 1H5* G 4 1H5* G 4 10.362 -9.633 12.993
35 2H5* G 4 2H5* G 4 10.369 -8.019 13.748
36 H4* G 4 H4* G 4 12.549 -8.592 12.731
37 H3* G 4 H3* G 4 11.044 -6.360 11.342
38 H2* G 4 H2* G 4 12.999 -6.026 9.986
39 2HO* G 4 2HO* G 4 14.608 -6.421 11.593
40 H1* G 4 H1* G 4 13.298 -8.697 9.469
41 H8 G 4 H8 G 4 9.598 -8.244 9.665
42 H1 G 4 H1 G 4 12.064 -5.863 4.273
43 1H2 G 4 1H2 G 4 14.265 -5.748 4.421
44 2H2 G 4 2H2 G 4 15.130 -6.275 5.848
45 1H5* G 5 1H5* G 5 14.907 -4.414 12.145
46 2H5* G 5 2H5* G 5 14.467 -2.786 12.726
47 H4* G 5 H4* G 5 16.048 -2.808 10.773
48 H3* G 5 H3* G 5 13.338 -1.515 10.365
49 H2* G 5 H2* G 5 14.097 -0.799 8.203
50 2HO* G 5 2HO* G 5 16.288 -1.194 7.590
51 H1* G 5 H1* G 5 15.194 -3.239 7.574
52 H8 G 5 H8 G 5 12.158 -4.216 9.495
53 H1 G 5 H1 G 5 10.673 -1.894 3.724
54 1H2 G 5 1H2 G 5 12.435 -0.913 2.811
55 2H2 G 5 2H2 G 5 13.977 -0.825 3.631
56 1H5* A 6 1H5* A 6 16.528 1.399 9.227
57 2H5* A 6 2H5* A 6 15.892 3.032 9.565
58 H4* A 6 H4* A 6 16.692 2.476 7.157
59 H3* A 6 H3* A 6 13.960 3.676 7.681
60 H2* A 6 H2* A 6 13.701 3.869 5.309
61 2HO* A 6 2HO* A 6 15.453 3.405 3.921
62 H1* A 6 H1* A 6 14.713 1.367 4.804
63 H8 A 6 H8 A 6 12.631 1.036 7.924
64 1H6 A 6 1H6 A 6 7.668 0.793 4.254
65 2H6 A 6 2H6 A 6 8.263 0.568 5.882
66 H2 A 6 H2 A 6 11.193 2.028 1.768
67 1H5* C 7 1H5* C 7 15.726 5.862 4.595
68 2H5* C 7 2H5* C 7 15.288 7.586 4.698
69 H4* C 7 H4* C 7 14.658 6.410 2.538
70 H3* C 7 H3* C 7 12.461 7.647 4.198
71 H2* C 7 H2* C 7 10.958 7.189 2.382
72 2HO* C 7 2HO* C 7 12.383 7.730 0.644
73 H1* C 7 H1* C 7 12.019 4.654 1.943
74 1H4 C 7 1H4 C 7 6.932 3.930 5.749
75 2H4 C 7 2H4 C 7 7.975 4.043 7.148
76 H5 C 7 H5 C 7 10.367 4.600 6.991
77 H6 C 7 H6 C 7 12.155 5.146 5.458
78 1H5* A 8 1H5* A 8 10.794 11.572 0.896
79 2H5* A 8 2H5* A 8 9.931 10.882 2.297
80 H4* A 8 H4* A 8 9.710 10.200 -0.622
81 H3* A 8 H3* A 8 7.787 10.826 1.611
82 H2* A 8 H2* A 8 6.124 9.376 0.689
83 2HO* A 8 2HO* A 8 7.935 9.049 -1.510
84 H1* A 8 H1* A 8 7.750 7.299 0.301
85 H8 A 8 H8 A 8 9.643 8.441 3.153
86 1H6 A 8 1H6 A 8 4.954 6.959 6.909
87 2H6 A 8 2H6 A 8 6.650 7.377 6.828
88 H2 A 8 H2 A 8 3.429 7.000 2.699
89 1H5* U 9 1H5* U 9 5.473 10.667 -0.939
90 2H5* U 9 2H5* U 9 4.709 12.126 -1.623
91 H4* U 9 H4* U 9 3.035 10.432 -1.285
92 H3* U 9 H3* U 9 2.897 12.895 0.311
93 H2* U 9 H2* U 9 1.782 12.018 2.113
94 2HO* U 9 2HO* U 9 0.091 10.445 1.830
95 H1* U 9 H1* U 9 1.975 9.228 1.664
96 H3 U 9 H3 U 9 2.649 10.337 6.130
97 H5 U 9 H5 U 9 6.340 10.870 4.168
98 H6 U 9 H6 U 9 5.206 10.549 2.083
99 1H5* U 10 1H5* U 10 -1.859 12.923 0.451
100 2H5* U 10 2H5* U 10 -1.848 14.167 -0.822
101 H4* U 10 H4* U 10 -2.889 14.592 1.628
102 H3* U 10 H3* U 10 -2.523 16.316 -0.396
103 H2* U 10 H2* U 10 -0.135 16.451 -0.085
104 2HO* U 10 2HO* U 10 0.270 18.540 0.825
105 H1* U 10 H1* U 10 -0.525 16.972 2.872
106 H3 U 10 H3 U 10 4.145 17.260 1.704
107 H5 U 10 H5 U 10 3.111 13.365 2.956
108 H6 U 10 H6 U 10 0.807 13.988 2.751
109 1H5* C 11 1H5* C 11 -6.611 17.710 2.657
110 2H5* C 11 2H5* C 11 -5.328 16.550 3.099
111 H4* C 11 H4* C 11 -7.891 15.905 1.606
112 H3* C 11 H3* C 11 -7.688 16.156 4.373
113 H2* C 11 H2* C 11 -6.062 14.441 4.606
114 2HO* C 11 2HO* C 11 -8.048 13.817 5.747
115 H1* C 11 H1* C 11 -7.566 12.851 2.528
116 1H4 C 11 1H4 C 11 -2.515 9.013 2.988
117 2H4 C 11 2H4 C 11 -1.425 10.370 3.157
118 H5 C 11 H5 C 11 -2.205 12.702 3.203
119 H6 C 11 H6 C 11 -4.138 14.131 3.093
120 1H5* C 12 1H5* C 12 -10.298 12.705 4.720
121 2H5* C 12 2H5* C 12 -11.460 12.465 3.393
122 H4* C 12 H4* C 12 -13.041 11.733 4.807
123 H3* C 12 H3* C 12 -13.197 14.290 5.724
124 H2* C 12 H2* C 12 -11.292 14.103 7.174
125 2HO* C 12 2HO* C 12 -13.073 14.833 8.437
126 H1* C 12 H1* C 12 -12.347 11.459 8.213
127 1H4 C 12 1H4 C 12 -6.532 11.471 10.844
128 2H4 C 12 2H4 C 12 -5.786 11.696 9.279
129 H5 C 12 H5 C 12 -7.082 12.020 7.214
130 H6 C 12 H6 C 12 -9.314 12.171 6.307
131 1H5* U 13 1H5* U 13 -17.136 10.538 4.506
132 2H5* U 13 2H5* U 13 -16.386 9.035 5.092
133 H4* U 13 H4* U 13 -15.411 10.841 2.882
134 H3* U 13 H3* U 13 -17.172 8.941 2.372
135 H2* U 13 H2* U 13 -16.128 7.388 3.941
136 2HO* U 13 2HO* U 13 -15.243 6.651 1.339
137 H1* U 13 H1* U 13 -13.538 7.772 2.442
138 H3 U 13 H3 U 13 -12.013 4.579 5.415
139 H5 U 13 H5 U 13 -13.266 7.848 7.776
140 H6 U 13 H6 U 13 -14.163 8.843 5.809
141 1H5* C 14 1H5* C 14 -13.341 10.354 1.575
142 2H5* C 14 2H5* C 14 -13.216 12.042 1.025
143 H4* C 14 H4* C 14 -11.618 11.365 -0.717
144 H3* C 14 H3* C 14 -12.041 8.575 0.377
145 H2* C 14 H2* C 14 -9.738 8.073 0.016
146 2HO* C 14 2HO* C 14 -8.405 9.507 -1.156
147 H1* C 14 H1* C 14 -8.790 10.467 0.930
148 1H4 C 14 1H4 C 14 -8.756 6.362 5.842
149 2H4 C 14 2H4 C 14 -10.222 7.111 6.421
150 H5 C 14 H5 C 14 -11.442 8.806 5.141
151 H6 C 14 H6 C 14 -11.487 10.059 3.079
152 1H5* A 15 1H5* A 15 -9.307 7.903 -2.869
153 2H5* A 15 2H5* A 15 -9.945 6.473 -3.712
154 H4* A 15 H4* A 15 -7.527 6.430 -2.669
155 H3* A 15 H3* A 15 -9.561 4.215 -2.449
156 H2* A 15 H2* A 15 -8.073 2.910 -1.092
157 2HO* A 15 2HO* A 15 -5.909 3.641 -0.762
158 H1* A 15 H1* A 15 -7.331 4.963 0.523
159 H8 A 15 H8 A 15 -10.853 5.065 -0.898
160 1H6 A 15 1H6 A 15 -12.534 2.299 4.433
161 2H6 A 15 2H6 A 15 -13.145 3.008 2.952
162 H2 A 15 H2 A 15 -8.061 2.651 4.276
163 1H5* C 16 1H5* C 16 -6.061 2.220 -3.645
164 2H5* C 16 2H5* C 16 -6.401 0.925 -4.826
165 H4* C 16 H4* C 16 -5.276 0.110 -2.760
166 H3* C 16 H3* C 16 -8.103 -0.866 -3.238
167 H2* C 16 H2* C 16 -7.841 -2.309 -1.345
168 2HO* C 16 2HO* C 16 -5.784 -2.519 -0.344
169 H1* C 16 H1* C 16 -6.538 -0.384 0.178
170 1H4 C 16 1H4 C 16 -12.639 -0.075 1.979
171 2H4 C 16 2H4 C 16 -13.014 0.956 0.615
172 H5 C 16 H5 C 16 -11.380 1.498 -1.133
173 H6 C 16 H6 C 16 -9.107 1.150 -1.874
174 1H5* G 17 1H5* G 17 -5.288 -4.108 -2.750
175 2H5* G 17 2H5* G 17 -5.614 -5.431 -3.899
176 H4* G 17 H4* G 17 -5.263 -6.212 -1.563
177 H3* G 17 H3* G 17 -8.011 -6.644 -2.753
178 H2* G 17 H2* G 17 -8.621 -7.855 -0.767
179 2HO* G 17 2HO* G 17 -7.044 -8.313 0.818
180 H1* G 17 H1* G 17 -7.556 -5.986 0.928
181 H8 G 17 H8 G 17 -8.836 -3.928 -1.914
182 H1 G 17 H1 G 17 -13.555 -6.142 1.792
183 1H2 G 17 1H2 G 17 -12.788 -7.692 3.168
184 2H2 G 17 2H2 G 17 -11.107 -8.179 3.178
185 1H5* G 18 1H5* G 18 -7.029 -10.301 -1.255
186 2H5* G 18 2H5* G 18 -7.378 -11.623 -2.398
187 H4* G 18 H4* G 18 -8.451 -11.921 -0.167
188 H3* G 18 H3* G 18 -10.318 -11.512 -2.515
189 H2* G 18 H2* G 18 -12.140 -11.964 -1.043
190 2HO* G 18 2HO* G 18 -11.742 -12.788 1.065
191 H1* G 18 H1* G 18 -10.987 -10.565 1.106
192 H8 G 18 H8 G 18 -10.591 -8.507 -2.030
193 H1 G 18 H1 G 18 -16.465 -8.143 0.498
194 1H2 G 18 1H2 G 18 -16.717 -9.681 2.067
195 2H2 G 18 2H2 G 18 -15.440 -10.797 2.493
196 1H5* G 19 1H5* G 19 -12.393 -15.305 -4.751
197 2H5* G 19 2H5* G 19 -12.453 -13.524 -4.873
198 H4* G 19 H4* G 19 -14.177 -15.242 -3.062
199 H3* G 19 H3* G 19 -14.831 -13.746 -5.612
200 H2* G 19 H2* G 19 -17.048 -13.450 -4.761
201 2HO* G 19 2HO* G 19 -17.628 -14.514 -2.763
202 H1* G 19 H1* G 19 -16.172 -12.896 -2.184
203 H8 G 19 H8 G 19 -14.512 -11.530 -5.428
204 H1 G 19 H1 G 19 -18.408 -7.478 -2.374
205 1H2 G 19 1H2 G 19 -19.333 -8.477 -0.642
206 2H2 G 19 2H2 G 19 -18.989 -10.141 -0.229
207 1H5* U 20 1H5* U 20 -16.914 -14.532 -8.862
208 2H5* U 20 2H5* U 20 -17.486 -13.065 -8.047
209 H4* U 20 H4* U 20 -19.159 -14.686 -9.341
210 H3* U 20 H3* U 20 -19.694 -13.374 -6.671
211 H2* U 20 H2* U 20 -21.836 -14.389 -6.628
212 2HO* U 20 2HO* U 20 -22.287 -13.852 -8.897
213 H1* U 20 H1* U 20 -20.990 -16.766 -7.902
214 H3 U 20 H3 U 20 -21.547 -19.000 -4.082
215 H5 U 20 H5 U 20 -19.669 -15.467 -2.789
216 H6 U 20 H6 U 20 -19.614 -14.718 -5.087
217 1H5* G 21 1H5* G 21 -20.294 -9.944 -5.157
218 2H5* G 21 2H5* G 21 -20.145 -11.714 -5.325
219 H4* G 21 H4* G 21 -22.917 -10.792 -5.369
220 H3* G 21 H3* G 21 -21.207 -10.095 -2.993
221 H2* G 21 H2* G 21 -22.851 -10.922 -1.485
222 2HO* G 21 2HO* G 21 -24.732 -10.165 -2.575
223 H1* G 21 H1* G 21 -23.331 -13.212 -2.787
224 H8 G 21 H8 G 21 -19.703 -12.223 -3.399
225 H1 G 21 H1 G 21 -20.645 -15.346 2.096
226 1H2 G 21 1H2 G 21 -22.810 -15.577 2.484
227 2H2 G 21 2H2 G 21 -24.024 -14.954 1.394
228 1H5* A 22 1H5* A 22 -24.909 -7.919 -2.345
229 2H5* A 22 2H5* A 22 -24.748 -6.569 -1.190
230 H4* A 22 H4* A 22 -26.159 -8.514 -0.400
231 H3* A 22 H3* A 22 -23.682 -7.823 1.190
232 H2* A 22 H2* A 22 -24.445 -9.402 2.841
233 2HO* A 22 2HO* A 22 -26.743 -8.923 2.561
234 H1* A 22 H1* A 22 -24.956 -11.313 0.942
235 H8 A 22 H8 A 22 -21.976 -9.494 -0.391
236 1H6 A 22 1H6 A 22 -18.481 -12.758 3.515
237 2H6 A 22 2H6 A 22 -18.471 -11.680 2.137
238 H2 A 22 H2 A 22 -22.766 -13.367 4.625
239 1H5* C 23 1H5* C 23 -24.878 -7.435 3.809
240 2H5* C 23 2H5* C 23 -24.351 -6.221 4.999
241 H4* C 23 H4* C 23 -23.184 -8.466 5.112
242 H3* C 23 H3* C 23 -21.501 -6.010 4.575
243 H2* C 23 H2* C 23 -19.575 -7.413 4.840
244 2HO* C 23 2HO* C 23 -21.432 -9.457 5.605
245 H1* C 23 H1* C 23 -20.649 -9.457 3.317
246 1H4 C 23 1H4 C 23 -17.172 -5.872 -0.663
247 2H4 C 23 2H4 C 23 -18.560 -4.849 -0.969
248 H5 C 23 H5 C 23 -20.684 -5.088 0.246
249 H6 C 23 H6 C 23 -21.853 -6.356 1.948
250 1H5* C 24 1H5* C 24 -19.989 -8.001 8.021
251 2H5* C 24 2H5* C 24 -19.251 -6.863 9.181
252 H4* C 24 H4* C 24 -17.722 -8.696 8.400
253 H3* C 24 H3* C 24 -16.929 -5.866 7.667
254 H2* C 24 H2* C 24 -14.844 -6.784 6.912
255 2HO* C 24 2HO* C 24 -15.770 -9.259 8.019
256 H1* C 24 H1* C 24 -16.069 -8.951 5.672
257 1H4 C 24 1H4 C 24 -15.216 -4.590 1.093
258 2H4 C 24 2H4 C 24 -16.656 -3.738 1.600
259 H5 C 24 H5 C 24 -17.950 -4.378 3.583
260 H6 C 24 H6 C 24 -18.094 -5.940 5.418
261 1H5* G 25 1H5* G 25 -13.788 -7.728 9.709
262 2H5* G 25 2H5* G 25 -12.817 -6.618 10.706
263 H4* G 25 H4* G 25 -11.524 -7.936 8.985
264 H3* G 25 H3* G 25 -11.504 -4.916 8.796
265 H2* G 25 H2* G 25 -9.887 -5.124 7.037
266 2HO* G 25 2HO* G 25 -9.056 -7.192 6.492
267 H1* G 25 H1* G 25 -11.276 -7.090 5.738
268 H8 G 25 H8 G 25 -14.040 -4.996 7.080
269 H1 G 25 H1 G 25 -10.930 -2.052 2.317
270 1H2 G 25 1H2 G 25 -9.033 -3.101 1.887
271 2H2 G 25 2H2 G 25 -8.536 -4.531 2.764
272 1H5* U 26 1H5* U 26 -7.610 -5.806 8.490
273 2H5* U 26 2H5* U 26 -6.568 -4.679 9.398
274 H4* U 26 H4* U 26 -6.211 -4.830 6.866
275 H3* U 26 H3* U 26 -6.777 -2.167 8.181
276 H2* U 26 H2* U 26 -6.441 -1.112 6.068
277 2HO* U 26 2HO* U 26 -5.490 -3.665 5.175
278 H1* U 26 H1* U 26 -7.738 -3.114 4.618
279 H3 U 26 H3 U 26 -9.883 1.052 4.655
280 H5 U 26 H5 U 26 -11.757 -1.393 7.527
281 H6 U 26 H6 U 26 -9.934 -2.968 7.278
282 1H5* G 27 1H5* G 27 -3.156 -2.508 5.822
283 2H5* G 27 2H5* G 27 -1.874 -1.326 6.186
284 H4* G 27 H4* G 27 -3.294 -1.588 3.791
285 H3* G 27 H3* G 27 -1.038 -0.208 4.476
286 H2* G 27 H2* G 27 -2.222 1.550 5.592
287 2HO* G 27 2HO* G 27 -0.899 2.551 4.030
288 H1* G 27 H1* G 27 -4.152 1.611 3.258
289 H8 G 27 H8 G 27 -4.512 1.334 7.094
290 H1 G 27 H1 G 27 -7.222 6.489 4.461
291 1H2 G 27 1H2 G 27 -6.766 6.573 2.304
292 2H2 G 27 2H2 G 27 -5.798 5.350 1.512
293 1H5* G 28 1H5* G 28 -1.988 3.153 0.281
294 2H5* G 28 2H5* G 28 -1.753 1.496 -0.331
295 H4* G 28 H4* G 28 -0.547 3.078 -1.721
296 H3* G 28 H3* G 28 1.212 1.351 0.017
297 H2* G 28 H2* G 28 3.140 2.376 -0.917
298 2HO* G 28 2HO* G 28 2.988 3.759 -2.692
299 H1* G 28 H1* G 28 2.215 4.901 -0.709
300 H8 G 28 H8 G 28 0.752 3.118 2.273
301 H1 G 28 H1 G 28 6.923 4.610 3.019
302 1H2 G 28 1H2 G 28 7.795 5.263 1.100
303 2H2 G 28 2H2 G 28 6.855 5.338 -0.374
304 1H5* U 29 1H5* U 29 2.676 1.200 -4.001
305 2H5* U 29 2H5* U 29 3.203 -0.447 -4.440
306 H4* U 29 H4* U 29 4.948 1.258 -4.868
307 H3* U 29 H3* U 29 5.560 -0.709 -2.650
308 H2* U 29 H2* U 29 7.731 0.237 -2.530
309 2HO* U 29 2HO* U 29 8.487 1.651 -4.150
310 H1* U 29 H1* U 29 6.843 2.848 -2.986
311 H3 U 29 H3 U 29 8.667 2.526 1.281
312 H5 U 29 H5 U 29 4.720 1.083 1.615
313 H6 U 29 H6 U 29 4.554 1.175 -0.786
314 1H5* C 30 1H5* C 30 8.896 -0.688 -5.295
315 2H5* C 30 2H5* C 30 9.741 -2.257 -5.242
316 H4* C 30 H4* C 30 10.987 -0.096 -4.457
317 H3* C 30 H3* C 30 10.935 -2.660 -2.858
318 H2* C 30 H2* C 30 12.381 -1.644 -1.253
319 2HO* C 30 2HO* C 30 13.374 0.362 -1.690
320 H1* C 30 H1* C 30 11.096 0.813 -1.308
321 1H4 C 30 1H4 C 30 8.758 -2.587 3.627
322 2H4 C 30 2H4 C 30 7.331 -2.890 2.667
323 H5 C 30 H5 C 30 7.148 -2.256 0.311
324 H6 C 30 H6 C 30 8.308 -1.241 -1.542
325 1H5* C 31 1H5* C 31 14.869 -1.664 -2.758
326 2H5* C 31 2H5* C 31 15.898 -3.027 -3.275
327 H4* C 31 H4* C 31 16.645 -2.206 -1.111
328 H3* C 31 H3* C 31 15.201 -4.861 -0.956
329 H2* C 31 H2* C 31 15.764 -4.954 1.370
330 2HO* C 31 2HO* C 31 17.102 -3.258 2.258
331 H1* C 31 H1* C 31 15.087 -2.332 1.834
332 1H4 C 31 1H4 C 31 9.813 -5.728 3.032
333 2H4 C 31 2H4 C 31 9.308 -5.533 1.369
334 H5 C 31 H5 C 31 10.726 -4.485 -0.338
335 H6 C 31 H6 C 31 12.871 -3.450 -0.733
336 1H5* U 32 1H5* U 32 18.140 -5.836 1.449
337 2H5* U 32 2H5* U 32 19.143 -7.052 0.620
338 H4* U 32 H4* U 32 18.767 -7.950 2.754
339 H3* U 32 H3* U 32 16.703 -9.114 0.879
340 H2* U 32 H2* U 32 15.973 -10.496 2.671
341 2HO* U 32 2HO* U 32 17.119 -10.536 4.642
342 H1* U 32 H1* U 32 15.959 -8.509 4.500
343 H3 U 32 H3 U 32 11.663 -9.435 3.489
344 H5 U 32 H5 U 32 12.892 -6.782 0.481
345 H6 U 32 H6 U 32 15.182 -6.997 1.322
346 1H5* C 33 1H5* C 33 18.538 -12.257 3.137
347 2H5* C 33 2H5* C 33 18.600 -13.766 2.192
348 H4* C 33 H4* C 33 17.408 -13.978 4.386
349 H3* C 33 H3* C 33 15.730 -14.411 1.902
350 H2* C 33 H2* C 33 13.982 -15.135 3.358
351 2HO* C 33 2HO* C 33 15.910 -14.914 5.459
352 H1* C 33 H1* C 33 14.376 -13.086 5.159
353 1H4 C 33 1H4 C 33 9.811 -11.084 1.173
354 2H4 C 33 2H4 C 33 11.019 -10.521 0.039
355 H5 C 33 H5 C 33 13.432 -10.904 0.356
356 H6 C 33 H6 C 33 15.082 -11.906 1.809
357 1H5* C 34 1H5* C 34 15.157 -17.693 4.638
358 2H5* C 34 2H5* C 34 14.973 -19.186 3.690
359 H4* C 34 H4* C 34 13.105 -18.704 5.316
360 H3* C 34 H3* C 34 12.429 -18.891 2.371
361 H2* C 34 H2* C 34 10.122 -18.739 2.966
362 2HO* C 34 2HO* C 34 11.037 -19.070 5.664
363 H1* C 34 H1* C 34 10.545 -16.793 4.922
364 1H4 C 34 1H4 C 34 8.722 -13.696 -0.359
365 2H4 C 34 2H4 C 34 10.387 -13.610 -0.893
366 H5 C 34 H5 C 34 12.231 -14.739 0.286
367 H6 C 34 H6 C 34 12.785 -16.134 2.180
Start of MODEL 3
1 1H5* G 1 1H5* G 1 -2.607 -12.153 4.615
2 2H5* G 1 2H5* G 1 -1.466 -12.471 3.309
3 H4* G 1 H4* G 1 -1.860 -14.221 5.747
4 H3* G 1 H3* G 1 0.316 -12.228 5.071
5 H2* G 1 H2* G 1 1.838 -13.606 6.287
6 2HO* G 1 2HO* G 1 1.126 -15.296 7.570
7 H1* G 1 H1* G 1 0.919 -15.940 5.189
8 H8 G 1 H8 G 1 0.801 -13.372 2.453
9 H1 G 1 H1 G 1 6.735 -15.440 3.630
10 1H2 G 1 1H2 G 1 6.779 -16.610 5.507
11 2H2 G 1 2H2 G 1 5.341 -16.889 6.464
12 1H5* G 2 1H5* G 2 0.764 -13.099 9.233
13 2H5* G 2 2H5* G 2 1.332 -11.640 10.090
14 H4* G 2 H4* G 2 2.799 -13.733 10.253
15 H3* G 2 H3* G 2 3.987 -11.161 9.181
16 H2* G 2 H2* G 2 6.110 -12.257 9.194
17 2HO* G 2 2HO* G 2 6.415 -14.210 10.269
18 H1* G 2 H1* G 2 5.069 -14.687 8.283
19 H8 G 2 H8 G 2 3.402 -12.308 6.029
20 H1 G 2 H1 G 2 9.671 -12.632 4.781
21 1H2 G 2 1H2 G 2 10.730 -13.651 6.433
22 2H2 G 2 2H2 G 2 9.893 -14.256 7.845
23 1H5* A 3 1H5* A 3 6.526 -12.316 12.622
24 2H5* A 3 2H5* A 3 6.697 -10.818 13.578
25 H4* A 3 H4* A 3 8.882 -11.818 13.256
26 H3* A 3 H3* A 3 8.478 -9.394 11.486
27 H2* A 3 H2* A 3 10.817 -9.572 10.914
28 2HO* A 3 2HO* A 3 12.090 -11.196 11.929
29 H1* A 3 H1* A 3 10.629 -12.260 10.422
30 H8 A 3 H8 A 3 7.308 -10.787 9.403
31 1H6 A 3 1H6 A 3 10.038 -9.100 4.108
32 2H6 A 3 2H6 A 3 8.511 -9.255 4.949
33 H2 A 3 H2 A 3 13.197 -10.502 6.970
34 1H5* G 4 1H5* G 4 11.943 -8.507 13.626
35 2H5* G 4 2H5* G 4 11.978 -6.808 14.163
36 H4* G 4 H4* G 4 14.002 -7.417 12.895
37 H3* G 4 H3* G 4 12.167 -5.495 11.441
38 H2* G 4 H2* G 4 13.914 -5.268 9.802
39 2HO* G 4 2HO* G 4 15.721 -5.369 11.264
40 H1* G 4 H1* G 4 14.303 -7.978 9.635
41 H8 G 4 H8 G 4 10.634 -7.599 10.250
42 H1 G 4 H1 G 4 12.315 -6.033 4.285
43 1H2 G 4 1H2 G 4 14.513 -5.859 4.137
44 2H2 G 4 2H2 G 4 15.564 -6.140 5.505
45 1H5* G 5 1H5* G 5 15.959 -3.050 11.616
46 2H5* G 5 2H5* G 5 15.338 -1.460 12.133
47 H4* G 5 H4* G 5 16.778 -1.385 10.080
48 H3* G 5 H3* G 5 13.883 -0.552 9.741
49 H2* G 5 H2* G 5 14.459 0.145 7.513
50 2HO* G 5 2HO* G 5 16.646 0.073 6.833
51 H1* G 5 H1* G 5 15.874 -2.154 6.987
52 H8 G 5 H8 G 5 13.061 -3.400 9.088
53 H1 G 5 H1 G 5 11.116 -1.712 3.231
54 1H2 G 5 1H2 G 5 12.710 -0.582 2.189
55 2H2 G 5 2H2 G 5 14.247 -0.233 2.947
56 1H5* A 6 1H5* A 6 16.533 2.877 8.395
57 2H5* A 6 2H5* A 6 15.576 4.359 8.660
58 H4* A 6 H4* A 6 16.482 3.840 6.271
59 H3* A 6 H3* A 6 13.574 4.534 6.754
60 H2* A 6 H2* A 6 13.295 4.556 4.382
61 2HO* A 6 2HO* A 6 15.120 4.416 3.005
62 H1* A 6 H1* A 6 14.882 2.319 3.981
63 H8 A 6 H8 A 6 12.777 1.443 6.934
64 1H6 A 6 1H6 A 6 8.110 0.385 3.025
65 2H6 A 6 2H6 A 6 8.684 0.190 4.663
66 H2 A 6 H2 A 6 11.386 2.500 0.785
67 1H5* C 7 1H5* C 7 15.042 7.016 3.596
68 2H5* C 7 2H5* C 7 14.216 8.595 3.638
69 H4* C 7 H4* C 7 13.983 7.265 1.484
70 H3* C 7 H3* C 7 11.471 8.010 2.989
71 H2* C 7 H2* C 7 10.228 7.200 1.093
72 2HO* C 7 2HO* C 7 11.622 7.958 -0.580
73 H1* C 7 H1* C 7 11.774 4.933 0.865
74 1H4 C 7 1H4 C 7 6.812 3.426 4.613
75 2H4 C 7 2H4 C 7 7.782 3.795 6.022
76 H5 C 7 H5 C 7 10.025 4.788 5.877
77 H6 C 7 H6 C 7 11.712 5.596 4.350
78 1H5* A 8 1H5* A 8 9.890 11.070 -1.187
79 2H5* A 8 2H5* A 8 8.876 11.399 0.243
80 H4* A 8 H4* A 8 8.195 9.965 -2.125
81 H3* A 8 H3* A 8 6.754 10.462 0.487
82 H2* A 8 H2* A 8 5.042 8.923 -0.216
83 2HO* A 8 2HO* A 8 6.515 8.766 -2.668
84 H1* A 8 H1* A 8 6.778 6.995 -0.921
85 H8 A 8 H8 A 8 8.890 8.246 1.733
86 1H6 A 8 1H6 A 8 4.870 6.172 5.952
87 2H6 A 8 2H6 A 8 6.493 6.766 5.688
88 H2 A 8 H2 A 8 2.849 6.182 1.957
89 1H5* U 9 1H5* U 9 4.095 10.302 -1.980
90 2H5* U 9 2H5* U 9 2.961 11.642 -2.301
91 H4* U 9 H4* U 9 1.834 9.461 -2.000
92 H3* U 9 H3* U 9 1.153 11.825 -0.444
93 H2* U 9 H2* U 9 0.733 10.764 1.588
94 2HO* U 9 2HO* U 9 -0.909 9.393 1.732
95 H1* U 9 H1* U 9 1.235 8.024 0.889
96 H3 U 9 H3 U 9 2.071 8.662 5.377
97 H5 U 9 H5 U 9 5.415 10.178 3.327
98 H6 U 9 H6 U 9 4.180 9.929 1.264
99 1H5* U 10 1H5* U 10 -2.978 9.884 0.407
100 2H5* U 10 2H5* U 10 -3.873 10.956 -0.702
101 H4* U 10 H4* U 10 -4.673 10.862 1.743
102 H3* U 10 H3* U 10 -4.875 12.998 0.030
103 H2* U 10 H2* U 10 -2.669 13.835 0.630
104 2HO* U 10 2HO* U 10 -4.341 15.497 0.921
105 H1* U 10 H1* U 10 -3.514 13.454 3.509
106 H3 U 10 H3 U 10 0.375 14.796 5.336
107 H5 U 10 H5 U 10 1.587 13.174 1.643
108 H6 U 10 H6 U 10 -0.727 12.717 1.160
109 1H5* C 11 1H5* C 11 -7.924 15.009 4.375
110 2H5* C 11 2H5* C 11 -6.422 14.100 4.054
111 H4* C 11 H4* C 11 -9.048 12.891 4.970
112 H3* C 11 H3* C 11 -7.126 14.177 6.644
113 H2* C 11 H2* C 11 -5.519 12.459 6.408
114 2HO* C 11 2HO* C 11 -7.312 11.536 8.390
115 H1* C 11 H1* C 11 -7.797 10.480 6.192
116 1H4 C 11 1H4 C 11 -3.187 6.379 4.650
117 2H4 C 11 2H4 C 11 -2.234 7.634 3.893
118 H5 C 11 H5 C 11 -2.948 9.981 3.812
119 H6 C 11 H6 C 11 -4.696 11.530 4.435
120 1H5* C 12 1H5* C 12 -10.998 12.906 6.299
121 2H5* C 12 2H5* C 12 -11.867 14.464 6.491
122 H4* C 12 H4* C 12 -13.552 12.839 6.387
123 H3* C 12 H3* C 12 -13.584 14.254 8.674
124 H2* C 12 H2* C 12 -12.122 12.789 9.891
125 2HO* C 12 2HO* C 12 -14.059 12.978 11.115
126 H1* C 12 H1* C 12 -13.626 10.344 8.917
127 1H4 C 12 1H4 C 12 -8.308 7.760 11.345
128 2H4 C 12 2H4 C 12 -7.352 8.550 10.113
129 H5 C 12 H5 C 12 -8.306 10.151 8.504
130 H6 C 12 H6 C 12 -10.334 11.261 7.823
131 1H5* U 13 1H5* U 13 -17.253 10.668 5.867
132 2H5* U 13 2H5* U 13 -15.969 10.857 7.088
133 H4* U 13 H4* U 13 -15.330 12.500 4.830
134 H3* U 13 H3* U 13 -16.732 10.437 3.693
135 H2* U 13 H2* U 13 -15.446 8.751 4.826
136 2HO* U 13 2HO* U 13 -15.305 8.547 2.424
137 H1* U 13 H1* U 13 -12.980 10.337 4.068
138 H3 U 13 H3 U 13 -10.104 8.561 7.250
139 H5 U 13 H5 U 13 -13.523 6.100 7.267
140 H6 U 13 H6 U 13 -14.585 7.645 5.828
141 1H5* C 14 1H5* C 14 -12.914 12.226 1.144
142 2H5* C 14 2H5* C 14 -12.926 11.666 -0.549
143 H4* C 14 H4* C 14 -10.652 11.641 0.367
144 H3* C 14 H3* C 14 -11.761 8.842 0.043
145 H2* C 14 H2* C 14 -9.538 8.086 0.523
146 2HO* C 14 2HO* C 14 -7.799 9.611 0.592
147 H1* C 14 H1* C 14 -9.104 10.148 2.433
148 1H4 C 14 1H4 C 14 -10.100 4.917 5.901
149 2H4 C 14 2H4 C 14 -11.801 4.919 5.484
150 H5 C 14 H5 C 14 -12.788 6.519 3.907
151 H6 C 14 H6 C 14 -12.310 8.394 2.469
152 1H5* A 15 1H5* A 15 -8.322 8.631 -1.837
153 2H5* A 15 2H5* A 15 -8.411 7.804 -3.411
154 H4* A 15 H4* A 15 -6.761 6.735 -1.984
155 H3* A 15 H3* A 15 -9.276 5.087 -2.295
156 H2* A 15 H2* A 15 -8.152 3.319 -1.120
157 2HO* A 15 2HO* A 15 -5.941 3.432 -0.713
158 H1* A 15 H1* A 15 -7.085 5.059 0.770
159 H8 A 15 H8 A 15 -10.636 5.973 -0.265
160 1H6 A 15 1H6 A 15 -12.384 2.087 4.324
161 2H6 A 15 2H6 A 15 -12.964 3.271 3.166
162 H2 A 15 H2 A 15 -7.903 1.803 3.669
163 1H5* C 16 1H5* C 16 -6.045 2.760 -3.892
164 2H5* C 16 2H5* C 16 -6.570 1.706 -5.232
165 H4* C 16 H4* C 16 -5.483 0.543 -3.264
166 H3* C 16 H3* C 16 -8.320 -0.202 -4.009
167 H2* C 16 H2* C 16 -8.206 -1.932 -2.370
168 2HO* C 16 2HO* C 16 -6.223 -2.514 -1.427
169 H1* C 16 H1* C 16 -6.766 -0.363 -0.548
170 1H4 C 16 1H4 C 16 -12.839 -0.356 1.402
171 2H4 C 16 2H4 C 16 -13.133 1.095 0.464
172 H5 C 16 H5 C 16 -11.460 2.059 -1.069
173 H6 C 16 H6 C 16 -9.223 1.789 -1.955
174 1H5* G 17 1H5* G 17 -5.363 -3.497 -4.104
175 2H5* G 17 2H5* G 17 -5.718 -4.633 -5.431
176 H4* G 17 H4* G 17 -5.204 -5.812 -3.336
177 H3* G 17 H3* G 17 -8.080 -6.016 -4.254
178 H2* G 17 H2* G 17 -8.492 -7.539 -2.442
179 2HO* G 17 2HO* G 17 -6.761 -8.278 -1.153
180 H1* G 17 H1* G 17 -7.186 -6.001 -0.593
181 H8 G 17 H8 G 17 -8.825 -3.664 -3.080
182 H1 G 17 H1 G 17 -12.879 -5.931 1.305
183 1H2 G 17 1H2 G 17 -11.934 -7.560 2.461
184 2H2 G 17 2H2 G 17 -10.294 -8.088 2.154
185 1H5* G 18 1H5* G 18 -7.024 -9.876 -3.514
186 2H5* G 18 2H5* G 18 -7.594 -11.002 -4.774
187 H4* G 18 H4* G 18 -8.377 -11.608 -2.495
188 H3* G 18 H3* G 18 -10.511 -10.749 -4.461
189 H2* G 18 H2* G 18 -12.155 -11.339 -2.831
190 2HO* G 18 2HO* G 18 -11.127 -13.310 -2.128
191 H1* G 18 H1* G 18 -10.678 -10.306 -0.691
192 H8 G 18 H8 G 18 -10.534 -7.970 -3.690
193 H1 G 18 H1 G 18 -15.833 -7.305 -0.157
194 1H2 G 18 1H2 G 18 -15.974 -8.937 1.325
195 2H2 G 18 2H2 G 18 -14.764 -10.196 1.444
196 1H5* G 19 1H5* G 19 -13.224 -14.372 -6.537
197 2H5* G 19 2H5* G 19 -13.305 -12.589 -6.597
198 H4* G 19 H4* G 19 -14.662 -14.403 -4.580
199 H3* G 19 H3* G 19 -15.747 -12.671 -6.814
200 H2* G 19 H2* G 19 -17.751 -12.399 -5.524
201 2HO* G 19 2HO* G 19 -17.999 -13.567 -3.558
202 H1* G 19 H1* G 19 -16.381 -11.919 -3.187
203 H8 G 19 H8 G 19 -15.165 -10.682 -6.682
204 H1 G 19 H1 G 19 -18.123 -6.304 -3.074
205 1H2 G 19 1H2 G 19 -18.827 -7.213 -1.197
206 2H2 G 19 2H2 G 19 -18.570 -8.901 -0.822
207 1H5* U 20 1H5* U 20 -17.665 -12.625 -9.336
208 2H5* U 20 2H5* U 20 -17.789 -13.152 -7.641
209 H4* U 20 H4* U 20 -19.659 -13.786 -9.934
210 H3* U 20 H3* U 20 -20.040 -12.462 -7.238
211 H2* U 20 H2* U 20 -22.309 -13.181 -7.288
212 2HO* U 20 2HO* U 20 -22.708 -12.639 -9.514
213 H1* U 20 H1* U 20 -21.693 -15.657 -8.478
214 H3 U 20 H3 U 20 -22.557 -17.683 -4.599
215 H5 U 20 H5 U 20 -20.260 -14.377 -3.385
216 H6 U 20 H6 U 20 -20.089 -13.719 -5.711
217 1H5* G 21 1H5* G 21 -21.073 -8.145 -6.643
218 2H5* G 21 2H5* G 21 -20.115 -8.900 -5.339
219 H4* G 21 H4* G 21 -23.067 -9.008 -5.862
220 H3* G 21 H3* G 21 -21.323 -8.664 -3.423
221 H2* G 21 H2* G 21 -23.072 -9.547 -2.057
222 2HO* G 21 2HO* G 21 -24.836 -8.519 -3.187
223 H1* G 21 H1* G 21 -23.633 -11.629 -3.677
224 H8 G 21 H8 G 21 -19.915 -10.859 -3.891
225 H1 G 21 H1 G 21 -21.516 -14.544 1.080
226 1H2 G 21 1H2 G 21 -23.716 -14.639 1.286
227 2H2 G 21 2H2 G 21 -24.791 -13.795 0.197
228 1H5* A 22 1H5* A 22 -24.763 -6.545 -2.333
229 2H5* A 22 2H5* A 22 -24.476 -5.218 -1.173
230 H4* A 22 H4* A 22 -25.827 -7.058 -0.204
231 H3* A 22 H3* A 22 -23.062 -6.711 0.968
232 H2* A 22 H2* A 22 -23.669 -8.349 2.631
233 2HO* A 22 2HO* A 22 -25.926 -7.686 2.804
234 H1* A 22 H1* A 22 -24.644 -10.076 0.756
235 H8 A 22 H8 A 22 -21.898 -8.401 -1.095
236 1H6 A 22 1H6 A 22 -17.836 -11.907 1.919
237 2H6 A 22 2H6 A 22 -18.072 -10.803 0.585
238 H2 A 22 H2 A 22 -21.785 -12.333 3.942
239 1H5* C 23 1H5* C 23 -23.981 -6.464 3.787
240 2H5* C 23 2H5* C 23 -23.196 -5.498 5.058
241 H4* C 23 H4* C 23 -22.342 -7.888 4.660
242 H3* C 23 H3* C 23 -20.435 -5.545 4.565
243 H2* C 23 H2* C 23 -18.648 -7.136 4.407
244 2HO* C 23 2HO* C 23 -19.068 -9.364 4.665
245 H1* C 23 H1* C 23 -19.991 -8.723 2.571
246 1H4 C 23 1H4 C 23 -16.318 -4.781 -0.847
247 2H4 C 23 2H4 C 23 -17.618 -3.610 -0.900
248 H5 C 23 H5 C 23 -19.715 -3.891 0.357
249 H6 C 23 H6 C 23 -20.932 -5.342 1.863
250 1H5* C 24 1H5* C 24 -18.982 -8.272 7.437
251 2H5* C 24 2H5* C 24 -18.198 -7.455 8.816
252 H4* C 24 H4* C 24 -16.716 -9.100 7.693
253 H3* C 24 H3* C 24 -15.876 -6.204 7.409
254 H2* C 24 H2* C 24 -13.834 -7.023 6.453
255 2HO* C 24 2HO* C 24 -13.303 -9.199 6.529
256 H1* C 24 H1* C 24 -15.143 -8.912 4.894
257 1H4 C 24 1H4 C 24 -14.368 -3.825 1.123
258 2H4 C 24 2H4 C 24 -15.760 -3.045 1.842
259 H5 C 24 H5 C 24 -16.991 -4.001 3.734
260 H6 C 24 H6 C 24 -17.103 -5.864 5.265
261 1H5* G 25 1H5* G 25 -12.707 -8.345 9.080
262 2H5* G 25 2H5* G 25 -11.756 -7.406 10.257
263 H4* G 25 H4* G 25 -10.382 -8.352 8.414
264 H3* G 25 H3* G 25 -10.599 -5.336 8.496
265 H2* G 25 H2* G 25 -8.975 -5.266 6.740
266 2HO* G 25 2HO* G 25 -7.995 -7.247 6.033
267 H1* G 25 H1* G 25 -10.162 -7.291 5.302
268 H8 G 25 H8 G 25 -12.978 -5.291 6.791
269 H1 G 25 H1 G 25 -10.225 -2.363 1.796
270 1H2 G 25 1H2 G 25 -8.342 -3.404 1.262
271 2H2 G 25 2H2 G 25 -7.769 -4.809 2.130
272 1H5* U 26 1H5* U 26 -6.559 -6.034 8.228
273 2H5* U 26 2H5* U 26 -5.613 -4.829 9.141
274 H4* U 26 H4* U 26 -5.237 -4.947 6.605
275 H3* U 26 H3* U 26 -6.027 -2.337 7.915
276 H2* U 26 H2* U 26 -5.757 -1.271 5.796
277 2HO* U 26 2HO* U 26 -4.700 -2.290 4.093
278 H1* U 26 H1* U 26 -6.848 -3.404 4.346
279 H3 U 26 H3 U 26 -9.507 0.354 3.974
280 H5 U 26 H5 U 26 -10.869 -1.708 7.381
281 H6 U 26 H6 U 26 -8.919 -3.136 7.216
282 1H5* G 27 1H5* G 27 -2.422 -2.263 5.597
283 2H5* G 27 2H5* G 27 -1.198 -1.074 6.106
284 H4* G 27 H4* G 27 -2.219 -1.138 3.638
285 H3* G 27 H3* G 27 -0.610 0.708 4.855
286 H2* G 27 H2* G 27 -2.401 1.867 5.916
287 2HO* G 27 2HO* G 27 -2.839 3.770 4.586
288 H1* G 27 H1* G 27 -3.949 1.769 3.311
289 H8 G 27 H8 G 27 -5.000 0.414 6.715
290 H1 G 27 H1 G 27 -7.988 5.788 5.003
291 1H2 G 27 1H2 G 27 -7.073 6.628 3.179
292 2H2 G 27 2H2 G 27 -5.727 5.854 2.371
293 1H5* G 28 1H5* G 28 -1.788 1.962 -0.012
294 2H5* G 28 2H5* G 28 -1.869 0.440 -0.933
295 H4* G 28 H4* G 28 -0.798 1.835 -2.425
296 H3* G 28 H3* G 28 1.300 0.425 -0.791
297 H2* G 28 H2* G 28 3.042 1.671 -1.809
298 2HO* G 28 2HO* G 28 0.996 2.590 -3.579
299 H1* G 28 H1* G 28 1.862 4.068 -1.603
300 H8 G 28 H8 G 28 0.559 2.279 1.439
301 H1 G 28 H1 G 28 6.645 4.135 2.077
302 1H2 G 28 1H2 G 28 7.465 4.781 0.127
303 2H2 G 28 2H2 G 28 6.509 4.755 -1.339
304 1H5* U 29 1H5* U 29 2.692 -0.162 -4.870
305 2H5* U 29 2H5* U 29 3.477 -1.762 -4.993
306 H4* U 29 H4* U 29 4.935 0.234 -5.554
307 H3* U 29 H3* U 29 5.778 -1.556 -3.262
308 H2* U 29 H2* U 29 7.806 -0.306 -3.176
309 2HO* U 29 2HO* U 29 8.278 1.228 -4.843
310 H1* U 29 H1* U 29 6.526 2.140 -3.689
311 H3 U 29 H3 U 29 8.433 1.963 0.586
312 H5 U 29 H5 U 29 4.522 0.423 0.937
313 H6 U 29 H6 U 29 4.378 0.421 -1.466
314 1H5* C 30 1H5* C 30 9.126 -1.319 -5.741
315 2H5* C 30 2H5* C 30 10.073 -2.829 -5.682
316 H4* C 30 H4* C 30 11.204 -0.655 -4.871
317 H3* C 30 H3* C 30 11.106 -3.108 -3.102
318 H2* C 30 H2* C 30 12.511 -1.942 -1.557
319 2HO* C 30 2HO* C 30 13.417 0.094 -2.151
320 H1* C 30 H1* C 30 11.159 0.472 -1.862
321 1H4 C 30 1H4 C 30 8.886 -2.532 3.345
322 2H4 C 30 2H4 C 30 7.470 -2.966 2.412
323 H5 C 30 H5 C 30 7.286 -2.553 0.000
324 H6 C 30 H6 C 30 8.435 -1.674 -1.935
325 1H5* C 31 1H5* C 31 15.001 -2.001 -2.813
326 2H5* C 31 2H5* C 31 16.046 -3.371 -3.273
327 H4* C 31 H4* C 31 16.777 -2.496 -1.137
328 H3* C 31 H3* C 31 15.266 -5.104 -0.855
329 H2* C 31 H2* C 31 15.866 -5.096 1.464
330 2HO* C 31 2HO* C 31 18.039 -4.209 1.086
331 H1* C 31 H1* C 31 15.254 -2.427 1.786
332 1H4 C 31 1H4 C 31 9.956 -5.624 3.331
333 2H4 C 31 2H4 C 31 9.427 -5.571 1.663
334 H5 C 31 H5 C 31 10.834 -4.694 -0.154
335 H6 C 31 H6 C 31 12.987 -3.723 -0.667
336 1H5* U 32 1H5* U 32 18.272 -6.292 1.632
337 2H5* U 32 2H5* U 32 19.168 -7.447 0.613
338 H4* U 32 H4* U 32 18.918 -8.597 2.617
339 H3* U 32 H3* U 32 16.560 -9.374 0.891
340 H2* U 32 H2* U 32 15.942 -10.916 2.579
341 2HO* U 32 2HO* U 32 18.336 -10.151 3.942
342 H1* U 32 H1* U 32 16.267 -9.192 4.602
343 H3 U 32 H3 U 32 11.862 -9.750 4.018
344 H5 U 32 H5 U 32 12.876 -6.794 1.235
345 H6 U 32 H6 U 32 15.248 -7.223 1.743
346 1H5* C 33 1H5* C 33 18.513 -12.932 2.561
347 2H5* C 33 2H5* C 33 18.098 -14.357 1.579
348 H4* C 33 H4* C 33 17.416 -14.368 4.066
349 H3* C 33 H3* C 33 15.308 -14.835 1.939
350 H2* C 33 H2* C 33 13.823 -15.378 3.724
351 2HO* C 33 2HO* C 33 14.604 -15.539 5.872
352 H1* C 33 H1* C 33 14.659 -13.277 5.314
353 1H4 C 33 1H4 C 33 9.471 -11.241 2.201
354 2H4 C 33 2H4 C 33 10.469 -10.706 0.865
355 H5 C 33 H5 C 33 12.894 -11.143 0.746
356 H6 C 33 H6 C 33 14.755 -12.185 1.888
357 1H5* C 34 1H5* C 34 15.320 -17.958 4.973
358 2H5* C 34 2H5* C 34 14.813 -19.497 4.239
359 H4* C 34 H4* C 34 13.492 -18.747 6.272
360 H3* C 34 H3* C 34 12.031 -19.190 3.657
361 H2* C 34 H2* C 34 9.980 -18.854 4.837
362 2HO* C 34 2HO* C 34 11.606 -18.961 7.197
363 H1* C 34 H1* C 34 10.970 -16.735 6.358
364 1H4 C 34 1H4 C 34 7.861 -14.165 1.396
365 2H4 C 34 2H4 C 34 9.335 -14.196 0.453
366 H5 C 34 H5 C 34 11.409 -15.262 1.244
367 H6 C 34 H6 C 34 12.413 -16.470 3.076
Start of MODEL 4
1 1H5* G 1 1H5* G 1 -1.994 -11.814 3.078
2 2H5* G 1 2H5* G 1 -0.778 -11.946 1.808
3 H4* G 1 H4* G 1 -1.382 -14.071 3.876
4 H3* G 1 H3* G 1 0.879 -12.068 3.693
5 H2* G 1 H2* G 1 2.300 -13.690 4.719
6 2HO* G 1 2HO* G 1 1.472 -15.578 5.610
7 H1* G 1 H1* G 1 1.418 -15.755 3.165
8 H8 G 1 H8 G 1 1.453 -12.728 0.941
9 H1 G 1 H1 G 1 7.306 -15.079 1.987
10 1H2 G 1 1H2 G 1 7.251 -16.570 3.618
11 2H2 G 1 2H2 G 1 5.766 -16.997 4.441
12 1H5* G 2 1H5* G 2 1.054 -13.532 7.789
13 2H5* G 2 2H5* G 2 1.624 -12.192 8.820
14 H4* G 2 H4* G 2 3.032 -14.330 8.810
15 H3* G 2 H3* G 2 4.322 -11.692 8.069
16 H2* G 2 H2* G 2 6.420 -12.840 8.044
17 2HO* G 2 2HO* G 2 6.567 -14.991 8.809
18 H1* G 2 H1* G 2 5.379 -15.090 6.772
19 H8 G 2 H8 G 2 3.777 -12.357 4.879
20 H1 G 2 H1 G 2 10.049 -12.641 3.660
21 1H2 G 2 1H2 G 2 11.065 -13.916 5.152
22 2H2 G 2 2H2 G 2 10.197 -14.713 6.445
23 1H5* A 3 1H5* A 3 6.789 -13.246 11.375
24 2H5* A 3 2H5* A 3 7.030 -11.848 12.459
25 H4* A 3 H4* A 3 9.165 -12.929 11.929
26 H3* A 3 H3* A 3 8.813 -10.228 10.604
27 H2* A 3 H2* A 3 11.122 -10.393 9.923
28 2HO* A 3 2HO* A 3 11.142 -12.804 11.476
29 H1* A 3 H1* A 3 10.819 -12.957 9.014
30 H8 A 3 H8 A 3 7.526 -11.297 8.302
31 1H6 A 3 1H6 A 3 10.189 -8.749 3.331
32 2H6 A 3 2H6 A 3 8.676 -9.040 4.159
33 H2 A 3 H2 A 3 13.389 -10.608 5.870
34 1H5* G 4 1H5* G 4 12.429 -9.965 12.636
35 2H5* G 4 2H5* G 4 12.586 -8.420 13.509
36 H4* G 4 H4* G 4 14.532 -8.852 12.066
37 H3* G 4 H3* G 4 12.762 -6.587 11.113
38 H2* G 4 H2* G 4 14.424 -6.127 9.441
39 2HO* G 4 2HO* G 4 16.303 -6.568 10.724
40 H1* G 4 H1* G 4 14.677 -8.761 8.729
41 H8 G 4 H8 G 4 11.065 -8.412 9.605
42 H1 G 4 H1 G 4 12.492 -5.708 3.995
43 1H2 G 4 1H2 G 4 14.681 -5.546 3.757
44 2H2 G 4 2H2 G 4 15.795 -6.122 4.978
45 1H5* G 5 1H5* G 5 16.673 -4.628 11.293
46 2H5* G 5 2H5* G 5 16.361 -3.061 12.084
47 H4* G 5 H4* G 5 17.543 -2.872 9.888
48 H3* G 5 H3* G 5 14.776 -1.650 10.053
49 H2* G 5 H2* G 5 15.139 -0.745 7.859
50 2HO* G 5 2HO* G 5 17.203 -1.026 6.856
51 H1* G 5 H1* G 5 16.163 -3.096 6.865
52 H8 G 5 H8 G 5 13.491 -4.219 9.234
53 H1 G 5 H1 G 5 11.073 -1.766 3.846
54 1H2 G 5 1H2 G 5 12.655 -0.737 2.689
55 2H2 G 5 2H2 G 5 14.308 -0.646 3.254
56 1H5* A 6 1H5* A 6 17.721 1.472 8.709
57 2H5* A 6 2H5* A 6 17.094 3.054 9.246
58 H4* A 6 H4* A 6 17.579 2.707 6.724
59 H3* A 6 H3* A 6 14.894 3.732 7.681
60 H2* A 6 H2* A 6 14.320 4.075 5.385
61 2HO* A 6 2HO* A 6 15.899 3.803 3.751
62 H1* A 6 H1* A 6 15.387 1.676 4.559
63 H8 A 6 H8 A 6 13.680 1.057 7.870
64 1H6 A 6 1H6 A 6 8.368 0.707 4.732
65 2H6 A 6 2H6 A 6 9.147 0.435 6.272
66 H2 A 6 H2 A 6 11.534 2.253 1.956
67 1H5* C 7 1H5* C 7 16.265 6.281 4.597
68 2H5* C 7 2H5* C 7 15.686 7.948 4.846
69 H4* C 7 H4* C 7 14.979 6.806 2.678
70 H3* C 7 H3* C 7 12.837 7.817 4.553
71 H2* C 7 H2* C 7 11.248 7.333 2.816
72 2HO* C 7 2HO* C 7 12.023 6.605 0.762
73 H1* C 7 H1* C 7 12.389 4.882 2.251
74 1H4 C 7 1H4 C 7 7.716 3.851 6.501
75 2H4 C 7 2H4 C 7 8.885 3.978 7.798
76 H5 C 7 H5 C 7 11.227 4.638 7.429
77 H6 C 7 H6 C 7 12.835 5.298 5.750
78 1H5* A 8 1H5* A 8 11.897 9.548 0.892
79 2H5* A 8 2H5* A 8 11.263 11.203 1.100
80 H4* A 8 H4* A 8 9.686 9.650 -0.064
81 H3* A 8 H3* A 8 8.817 10.768 2.609
82 H2* A 8 H2* A 8 6.673 9.718 2.262
83 2HO* A 8 2HO* A 8 7.754 9.016 -0.302
84 H1* A 8 H1* A 8 7.745 7.340 1.600
85 H8 A 8 H8 A 8 10.338 8.410 3.963
86 1H6 A 8 1H6 A 8 6.436 7.306 8.632
87 2H6 A 8 2H6 A 8 8.100 7.623 8.199
88 H2 A 8 H2 A 8 4.101 7.310 4.811
89 1H5* U 9 1H5* U 9 5.853 10.930 0.531
90 2H5* U 9 2H5* U 9 5.106 12.486 0.119
91 H4* U 9 H4* U 9 3.421 10.846 0.781
92 H3* U 9 H3* U 9 3.859 13.212 2.559
93 H2* U 9 H2* U 9 2.528 12.357 4.230
94 2HO* U 9 2HO* U 9 0.841 10.884 3.891
95 H1* U 9 H1* U 9 2.822 9.585 3.721
96 H3 U 9 H3 U 9 3.921 10.369 8.114
97 H5 U 9 H5 U 9 7.339 11.312 5.861
98 H6 U 9 H6 U 9 6.006 11.106 3.864
99 1H5* U 10 1H5* U 10 0.286 16.277 1.575
100 2H5* U 10 2H5* U 10 1.337 15.087 2.371
101 H4* U 10 H4* U 10 -0.554 13.737 0.683
102 H3* U 10 H3* U 10 -1.792 16.013 2.090
103 H2* U 10 H2* U 10 -2.080 14.758 4.069
104 2HO* U 10 2HO* U 10 -4.222 14.693 3.191
105 H1* U 10 H1* U 10 -1.903 12.260 2.369
106 H3 U 10 H3 U 10 -2.635 9.871 6.185
107 H5 U 10 H5 U 10 0.744 12.214 7.047
108 H6 U 10 H6 U 10 0.428 13.360 4.926
109 1H5* C 11 1H5* C 11 -5.524 13.802 -0.965
110 2H5* C 11 2H5* C 11 -6.955 14.550 -0.205
111 H4* C 11 H4* C 11 -7.474 12.267 -0.275
112 H3* C 11 H3* C 11 -6.833 13.270 2.387
113 H2* C 11 H2* C 11 -5.293 11.594 2.875
114 2HO* C 11 2HO* C 11 -7.003 10.717 4.024
115 H1* C 11 H1* C 11 -6.431 9.791 0.739
116 1H4 C 11 1H4 C 11 -0.740 7.020 1.535
117 2H4 C 11 2H4 C 11 0.071 8.570 1.554
118 H5 C 11 H5 C 11 -1.135 10.710 1.406
119 H6 C 11 H6 C 11 -3.321 11.718 1.200
120 1H5* C 12 1H5* C 12 -10.804 10.766 2.695
121 2H5* C 12 2H5* C 12 -12.050 11.738 1.865
122 H4* C 12 H4* C 12 -13.334 11.393 3.650
123 H3* C 12 H3* C 12 -12.001 13.695 4.354
124 H2* C 12 H2* C 12 -10.276 12.618 5.578
125 2HO* C 12 2HO* C 12 -10.903 12.628 7.847
126 H1* C 12 H1* C 12 -12.264 10.686 6.798
127 1H4 C 12 1H4 C 12 -6.723 8.002 8.484
128 2H4 C 12 2H4 C 12 -6.220 7.915 6.811
129 H5 C 12 H5 C 12 -7.549 8.859 4.966
130 H6 C 12 H6 C 12 -9.593 10.033 4.421
131 1H5* U 13 1H5* U 13 -16.530 12.547 3.023
132 2H5* U 13 2H5* U 13 -15.207 11.454 3.506
133 H4* U 13 H4* U 13 -14.512 12.659 1.011
134 H3* U 13 H3* U 13 -17.164 12.742 0.846
135 H2* U 13 H2* U 13 -17.457 10.580 1.870
136 2HO* U 13 2HO* U 13 -17.583 10.186 -0.940
137 H1* U 13 H1* U 13 -15.522 9.431 -0.143
138 H3 U 13 H3 U 13 -14.836 5.471 2.114
139 H5 U 13 H5 U 13 -16.992 7.912 4.810
140 H6 U 13 H6 U 13 -16.825 9.671 3.260
141 1H5* C 14 1H5* C 14 -13.800 10.817 -2.700
142 2H5* C 14 2H5* C 14 -14.166 10.206 -1.071
143 H4* C 14 H4* C 14 -11.432 10.913 -2.169
144 H3* C 14 H3* C 14 -12.682 8.279 -1.342
145 H2* C 14 H2* C 14 -10.478 7.505 -0.846
146 2HO* C 14 2HO* C 14 -8.651 8.769 -1.478
147 H1* C 14 H1* C 14 -9.663 9.988 0.191
148 1H4 C 14 1H4 C 14 -10.879 6.254 5.229
149 2H4 C 14 2H4 C 14 -12.553 6.743 5.187
150 H5 C 14 H5 C 14 -13.491 8.158 3.399
151 H6 C 14 H6 C 14 -12.957 9.312 1.347
152 1H5* A 15 1H5* A 15 -9.441 7.503 -3.820
153 2H5* A 15 2H5* A 15 -9.743 6.187 -4.981
154 H4* A 15 H4* A 15 -7.672 5.855 -3.665
155 H3* A 15 H3* A 15 -9.906 3.879 -3.188
156 H2* A 15 H2* A 15 -8.453 2.641 -1.728
157 2HO* A 15 2HO* A 15 -6.232 3.277 -1.555
158 H1* A 15 H1* A 15 -7.481 4.885 -0.463
159 H8 A 15 H8 A 15 -11.107 5.414 -1.291
160 1H6 A 15 1H6 A 15 -12.336 2.383 4.019
161 2H6 A 15 2H6 A 15 -13.039 3.338 2.731
162 H2 A 15 H2 A 15 -7.942 2.023 3.067
163 1H5* C 16 1H5* C 16 -6.462 1.699 -4.495
164 2H5* C 16 2H5* C 16 -6.880 0.315 -5.542
165 H4* C 16 H4* C 16 -5.483 -0.235 -3.514
166 H3* C 16 H3* C 16 -8.202 -1.522 -3.825
167 H2* C 16 H2* C 16 -7.718 -2.848 -1.891
168 2HO* C 16 2HO* C 16 -5.615 -2.740 -0.939
169 H1* C 16 H1* C 16 -6.646 -0.732 -0.474
170 1H4 C 16 1H4 C 16 -12.842 -1.190 1.104
171 2H4 C 16 2H4 C 16 -13.180 0.139 0.014
172 H5 C 16 H5 C 16 -11.485 1.098 -1.487
173 H6 C 16 H6 C 16 -9.188 0.934 -2.207
174 1H5* G 17 1H5* G 17 -5.368 -4.590 -3.300
175 2H5* G 17 2H5* G 17 -5.602 -5.912 -4.472
176 H4* G 17 H4* G 17 -5.407 -6.812 -2.221
177 H3* G 17 H3* G 17 -8.223 -6.917 -3.326
178 H2* G 17 H2* G 17 -8.872 -8.153 -1.367
179 2HO* G 17 2HO* G 17 -7.287 -8.834 0.126
180 H1* G 17 H1* G 17 -7.545 -6.463 0.348
181 H8 G 17 H8 G 17 -8.861 -4.350 -2.496
182 H1 G 17 H1 G 17 -13.335 -5.825 1.832
183 1H2 G 17 1H2 G 17 -12.580 -7.377 3.217
184 2H2 G 17 2H2 G 17 -10.967 -8.041 3.079
185 1H5* G 18 1H5* G 18 -7.592 -10.739 -2.100
186 2H5* G 18 2H5* G 18 -8.089 -11.935 -3.326
187 H4* G 18 H4* G 18 -9.158 -12.331 -1.135
188 H3* G 18 H3* G 18 -11.036 -11.407 -3.322
189 H2* G 18 H2* G 18 -12.847 -11.813 -1.818
190 2HO* G 18 2HO* G 18 -12.084 -13.822 -0.964
191 H1* G 18 H1* G 18 -11.434 -10.834 0.411
192 H8 G 18 H8 G 18 -10.986 -8.557 -2.596
193 H1 G 18 H1 G 18 -16.456 -7.574 0.588
194 1H2 G 18 1H2 G 18 -16.764 -9.174 2.082
195 2H2 G 18 2H2 G 18 -15.631 -10.489 2.289
196 1H5* G 19 1H5* G 19 -13.723 -14.764 -5.740
197 2H5* G 19 2H5* G 19 -13.647 -12.979 -5.704
198 H4* G 19 H4* G 19 -15.313 -14.676 -3.824
199 H3* G 19 H3* G 19 -16.133 -13.127 -6.294
200 H2* G 19 H2* G 19 -18.253 -12.774 -5.237
201 2HO* G 19 2HO* G 19 -18.788 -13.880 -3.327
202 H1* G 19 H1* G 19 -17.108 -12.270 -2.751
203 H8 G 19 H8 G 19 -15.845 -10.977 -6.200
204 H1 G 19 H1 G 19 -18.961 -6.709 -2.593
205 1H2 G 19 1H2 G 19 -19.658 -7.653 -0.729
206 2H2 G 19 2H2 G 19 -19.354 -9.336 -0.364
207 1H5* U 20 1H5* U 20 -19.336 -14.003 -8.891
208 2H5* U 20 2H5* U 20 -20.076 -12.906 -7.706
209 H4* U 20 H4* U 20 -21.458 -14.868 -8.921
210 H3* U 20 H3* U 20 -21.761 -13.921 -6.066
211 H2* U 20 H2* U 20 -23.402 -15.587 -5.672
212 2HO* U 20 2HO* U 20 -23.403 -15.917 -8.520
213 H1* U 20 H1* U 20 -22.151 -17.566 -7.174
214 H3 U 20 H3 U 20 -21.103 -19.536 -3.310
215 H5 U 20 H5 U 20 -19.768 -15.595 -2.696
216 H6 U 20 H6 U 20 -20.578 -15.034 -4.910
217 1H5* G 21 1H5* G 21 -21.992 -9.531 -6.341
218 2H5* G 21 2H5* G 21 -20.956 -10.229 -5.065
219 H4* G 21 H4* G 21 -23.946 -10.369 -5.387
220 H3* G 21 H3* G 21 -22.066 -9.655 -3.141
221 H2* G 21 H2* G 21 -23.658 -10.417 -1.544
222 2HO* G 21 2HO* G 21 -25.549 -9.602 -2.643
223 H1* G 21 H1* G 21 -24.253 -12.712 -2.815
224 H8 G 21 H8 G 21 -20.613 -11.771 -3.444
225 H1 G 21 H1 G 21 -21.573 -14.996 1.987
226 1H2 G 21 1H2 G 21 -23.738 -15.200 2.384
227 2H2 G 21 2H2 G 21 -24.949 -14.543 1.309
228 1H5* A 22 1H5* A 22 -25.615 -7.372 -2.130
229 2H5* A 22 2H5* A 22 -25.234 -6.051 -0.993
230 H4* A 22 H4* A 22 -26.624 -7.955 -0.052
231 H3* A 22 H3* A 22 -23.949 -7.357 1.224
232 H2* A 22 H2* A 22 -24.554 -8.933 2.952
233 2HO* A 22 2HO* A 22 -26.619 -9.915 2.905
234 H1* A 22 H1* A 22 -25.319 -10.815 1.112
235 H8 A 22 H8 A 22 -22.551 -9.095 -0.659
236 1H6 A 22 1H6 A 22 -18.516 -12.194 2.810
237 2H6 A 22 2H6 A 22 -18.721 -11.183 1.399
238 H2 A 22 H2 A 22 -22.561 -12.723 4.606
239 1H5* C 23 1H5* C 23 -24.936 -6.943 3.994
240 2H5* C 23 2H5* C 23 -24.223 -5.802 5.158
241 H4* C 23 H4* C 23 -23.229 -8.178 5.001
242 H3* C 23 H3* C 23 -21.455 -5.746 4.712
243 H2* C 23 H2* C 23 -19.588 -7.253 4.771
244 2HO* C 23 2HO* C 23 -19.908 -9.459 5.241
245 H1* C 23 H1* C 23 -20.796 -9.066 3.056
246 1H4 C 23 1H4 C 23 -17.148 -5.223 -0.518
247 2H4 C 23 2H4 C 23 -18.527 -4.175 -0.788
248 H5 C 23 H5 C 23 -20.683 -4.490 0.356
249 H6 C 23 H6 C 23 -21.899 -5.869 1.935
250 1H5* C 24 1H5* C 24 -19.907 -8.179 7.746
251 2H5* C 24 2H5* C 24 -19.243 -7.230 9.102
252 H4* C 24 H4* C 24 -17.621 -8.864 8.162
253 H3* C 24 H3* C 24 -16.911 -5.950 7.737
254 H2* C 24 H2* C 24 -14.784 -6.719 6.947
255 2HO* C 24 2HO* C 24 -14.254 -8.965 7.120
256 H1* C 24 H1* C 24 -15.910 -8.851 5.525
257 1H4 C 24 1H4 C 24 -14.918 -4.213 1.255
258 2H4 C 24 2H4 C 24 -16.404 -3.423 1.733
259 H5 C 24 H5 C 24 -17.786 -4.207 3.610
260 H6 C 24 H6 C 24 -17.982 -5.876 5.343
261 1H5* G 25 1H5* G 25 -13.700 -7.797 9.569
262 2H5* G 25 2H5* G 25 -13.075 -6.840 10.935
263 H4* G 25 H4* G 25 -11.248 -7.497 9.475
264 H3* G 25 H3* G 25 -11.954 -4.566 9.202
265 H2* G 25 H2* G 25 -10.014 -4.340 7.816
266 2HO* G 25 2HO* G 25 -8.599 -6.145 7.545
267 H1* G 25 H1* G 25 -10.546 -6.647 6.397
268 H8 G 25 H8 G 25 -13.853 -4.963 7.103
269 H1 G 25 H1 G 25 -10.603 -2.201 2.318
270 1H2 G 25 1H2 G 25 -8.539 -2.994 2.251
271 2H2 G 25 2H2 G 25 -7.962 -4.202 3.378
272 1H5* U 26 1H5* U 26 -7.883 -4.710 9.948
273 2H5* U 26 2H5* U 26 -7.310 -3.299 10.876
274 H4* U 26 H4* U 26 -6.326 -3.681 8.524
275 H3* U 26 H3* U 26 -7.592 -1.030 9.250
276 H2* U 26 H2* U 26 -6.841 -0.197 7.137
277 2HO* U 26 2HO* U 26 -5.370 -1.388 5.877
278 H1* U 26 H1* U 26 -7.430 -2.580 5.781
279 H3 U 26 H3 U 26 -10.060 0.976 4.352
280 H5 U 26 H5 U 26 -12.194 -0.962 7.427
281 H6 U 26 H6 U 26 -10.195 -2.234 7.926
282 1H5* G 27 1H5* G 27 -3.484 -0.981 7.943
283 2H5* G 27 2H5* G 27 -2.535 0.464 8.373
284 H4* G 27 H4* G 27 -3.224 -0.381 5.811
285 H3* G 27 H3* G 27 -1.507 1.525 6.734
286 H2* G 27 H2* G 27 -3.225 3.121 7.226
287 2HO* G 27 2HO* G 27 -1.709 4.113 5.789
288 H1* G 27 H1* G 27 -4.481 2.483 4.547
289 H8 G 27 H8 G 27 -5.635 2.696 8.236
290 H1 G 27 H1 G 27 -8.806 6.473 4.165
291 1H2 G 27 1H2 G 27 -7.931 6.325 2.142
292 2H2 G 27 2H2 G 27 -6.572 5.281 1.792
293 1H5* G 28 1H5* G 28 -2.152 4.043 2.117
294 2H5* G 28 2H5* G 28 -1.693 2.343 1.847
295 H4* G 28 H4* G 28 -0.716 4.087 0.268
296 H3* G 28 H3* G 28 1.054 2.188 1.797
297 H2* G 28 H2* G 28 2.959 3.115 0.721
298 2HO* G 28 2HO* G 28 2.695 4.661 -0.952
299 H1* G 28 H1* G 28 2.218 5.689 1.085
300 H8 G 28 H8 G 28 0.906 4.065 4.187
301 H1 G 28 H1 G 28 7.279 4.673 4.213
302 1H2 G 28 1H2 G 28 8.004 5.220 2.199
303 2H2 G 28 2H2 G 28 6.915 5.436 0.847
304 1H5* U 29 1H5* U 29 1.970 1.844 -2.424
305 2H5* U 29 2H5* U 29 2.372 0.164 -2.876
306 H4* U 29 H4* U 29 4.099 1.853 -3.534
307 H3* U 29 H3* U 29 4.933 -0.230 -1.501
308 H2* U 29 H2* U 29 7.140 0.612 -1.705
309 2HO* U 29 2HO* U 29 7.713 2.020 -3.390
310 H1* U 29 H1* U 29 6.301 3.276 -1.961
311 H3 U 29 H3 U 29 8.881 2.619 1.888
312 H5 U 29 H5 U 29 4.915 1.646 2.936
313 H6 U 29 H6 U 29 4.330 1.801 0.605
314 1H5* C 30 1H5* C 30 7.778 -0.250 -4.695
315 2H5* C 30 2H5* C 30 8.564 -1.845 -4.819
316 H4* C 30 H4* C 30 9.996 0.263 -4.215
317 H3* C 30 H3* C 30 10.147 -2.351 -2.710
318 H2* C 30 H2* C 30 11.876 -1.427 -1.351
319 2HO* C 30 2HO* C 30 12.878 0.530 -1.901
320 H1* C 30 H1* C 30 10.688 1.072 -1.126
321 1H4 C 30 1H4 C 30 9.156 -2.378 4.085
322 2H4 C 30 2H4 C 30 7.566 -2.598 3.396
323 H5 C 30 H5 C 30 6.989 -1.905 1.123
324 H6 C 30 H6 C 30 7.834 -0.881 -0.889
325 1H5* C 31 1H5* C 31 14.066 -1.398 -3.348
326 2H5* C 31 2H5* C 31 14.979 -2.772 -4.027
327 H4* C 31 H4* C 31 16.082 -1.926 -2.020
328 H3* C 31 H3* C 31 14.726 -4.604 -1.652
329 H2* C 31 H2* C 31 15.657 -4.708 0.552
330 2HO* C 31 2HO* C 31 17.114 -3.024 1.232
331 H1* C 31 H1* C 31 15.048 -2.092 1.146
332 1H4 C 31 1H4 C 31 10.085 -5.547 3.198
333 2H4 C 31 2H4 C 31 9.303 -5.347 1.646
334 H5 C 31 H5 C 31 10.403 -4.277 -0.270
335 H6 C 31 H6 C 31 12.441 -3.221 -1.015
336 1H5* U 32 1H5* U 32 18.017 -5.565 0.234
337 2H5* U 32 2H5* U 32 18.896 -6.740 -0.774
338 H4* U 32 H4* U 32 18.887 -7.701 1.360
339 H3* U 32 H3* U 32 16.550 -8.846 -0.174
340 H2* U 32 H2* U 32 16.137 -10.281 1.676
341 2HO* U 32 2HO* U 32 18.549 -9.221 2.790
342 H1* U 32 H1* U 32 16.403 -8.342 3.535
343 H3 U 32 H3 U 32 12.000 -9.253 3.220
344 H5 U 32 H5 U 32 12.728 -6.563 0.082
345 H6 U 32 H6 U 32 15.121 -6.781 0.543
346 1H5* C 33 1H5* C 33 18.765 -12.001 1.658
347 2H5* C 33 2H5* C 33 18.730 -13.478 0.661
348 H4* C 33 H4* C 33 17.911 -13.825 2.997
349 H3* C 33 H3* C 33 15.848 -14.187 0.808
350 H2* C 33 H2* C 33 14.385 -15.023 2.498
351 2HO* C 33 2HO* C 33 15.167 -15.332 4.643
352 H1* C 33 H1* C 33 15.052 -13.055 4.314
353 1H4 C 33 1H4 C 33 9.822 -10.972 1.306
354 2H4 C 33 2H4 C 33 10.803 -10.320 0.010
355 H5 C 33 H5 C 33 13.239 -10.660 -0.123
356 H6 C 33 H6 C 33 15.135 -11.695 0.960
357 1H5* C 34 1H5* C 34 15.851 -17.612 3.436
358 2H5* C 34 2H5* C 34 15.521 -19.068 2.470
359 H4* C 34 H4* C 34 13.976 -18.711 4.431
360 H3* C 34 H3* C 34 12.763 -18.759 1.656
361 H2* C 34 H2* C 34 10.609 -18.707 2.688
362 2HO* C 34 2HO* C 34 10.409 -18.971 4.953
363 H1* C 34 H1* C 34 11.366 -16.848 4.626
364 1H4 C 34 1H4 C 34 8.524 -13.538 -0.038
365 2H4 C 34 2H4 C 34 10.050 -13.401 -0.885
366 H5 C 34 H5 C 34 12.097 -14.551 -0.147
367 H6 C 34 H6 C 34 13.024 -16.022 1.531
Start of MODEL 5
1 1H5* G 1 1H5* G 1 -3.258 -10.550 0.646
2 2H5* G 1 2H5* G 1 -1.858 -10.772 -0.403
3 H4* G 1 H4* G 1 -3.029 -12.887 1.418
4 H3* G 1 H3* G 1 -0.574 -11.143 1.730
5 H2* G 1 H2* G 1 0.464 -12.946 2.902
6 2HO* G 1 2HO* G 1 -0.701 -14.745 3.557
7 H1* G 1 H1* G 1 -0.353 -14.850 1.118
8 H8 G 1 H8 G 1 0.418 -11.804 -0.930
9 H1 G 1 H1 G 1 5.695 -14.830 1.046
10 1H2 G 1 1H2 G 1 5.184 -16.333 2.582
11 2H2 G 1 2H2 G 1 3.539 -16.602 3.113
12 1H5* G 2 1H5* G 2 -1.258 -12.686 5.745
13 2H5* G 2 2H5* G 2 -0.731 -11.429 6.898
14 H4* G 2 H4* G 2 0.433 -13.710 7.037
15 H3* G 2 H3* G 2 2.088 -11.204 6.628
16 H2* G 2 H2* G 2 4.035 -12.563 6.898
17 2HO* G 2 2HO* G 2 3.829 -14.743 7.586
18 H1* G 2 H1* G 2 2.996 -14.674 5.399
19 H8 G 2 H8 G 2 2.030 -11.792 3.326
20 H1 G 2 H1 G 2 8.365 -12.648 3.237
21 1H2 G 2 1H2 G 2 8.978 -14.030 4.850
22 2H2 G 2 2H2 G 2 7.823 -14.747 5.952
23 1H5* A 3 1H5* A 3 3.809 -12.988 10.429
24 2H5* A 3 2H5* A 3 3.913 -11.550 11.481
25 H4* A 3 H4* A 3 6.043 -12.771 11.437
26 H3* A 3 H3* A 3 6.125 -10.118 9.977
27 H2* A 3 H2* A 3 8.510 -10.433 9.781
28 2HO* A 3 2HO* A 3 9.490 -12.248 10.772
29 H1* A 3 H1* A 3 8.241 -13.007 8.898
30 H8 A 3 H8 A 3 5.240 -11.213 7.529
31 1H6 A 3 1H6 A 3 8.930 -8.973 3.099
32 2H6 A 3 2H6 A 3 7.274 -9.165 3.630
33 H2 A 3 H2 A 3 11.486 -10.903 6.244
34 1H5* G 4 1H5* G 4 9.240 -9.864 12.763
35 2H5* G 4 2H5* G 4 9.306 -8.258 13.532
36 H4* G 4 H4* G 4 11.472 -8.911 12.538
37 H3* G 4 H3* G 4 10.080 -6.612 11.141
38 H2* G 4 H2* G 4 12.065 -6.352 9.814
39 2HO* G 4 2HO* G 4 13.623 -6.833 11.462
40 H1* G 4 H1* G 4 12.257 -9.029 9.283
41 H8 G 4 H8 G 4 8.578 -8.421 9.439
42 H1 G 4 H1 G 4 11.213 -6.114 4.096
43 1H2 G 4 1H2 G 4 13.415 -6.097 4.274
44 2H2 G 4 2H2 G 4 14.236 -6.671 5.707
45 1H5* G 5 1H5* G 5 14.018 -4.747 12.077
46 2H5* G 5 2H5* G 5 13.570 -3.111 12.628
47 H4* G 5 H4* G 5 15.227 -3.199 10.719
48 H3* G 5 H3* G 5 12.584 -1.789 10.265
49 H2* G 5 H2* G 5 13.414 -1.091 8.124
50 2HO* G 5 2HO* G 5 15.592 -1.537 7.550
51 H1* G 5 H1* G 5 14.415 -3.570 7.496
52 H8 G 5 H8 G 5 11.315 -4.450 9.350
53 H1 G 5 H1 G 5 10.013 -1.979 3.596
54 1H2 G 5 1H2 G 5 11.826 -1.052 2.726
55 2H2 G 5 2H2 G 5 13.356 -1.036 3.573
56 1H5* A 6 1H5* A 6 15.939 1.080 9.244
57 2H5* A 6 2H5* A 6 15.299 2.709 9.594
58 H4* A 6 H4* A 6 16.181 2.180 7.200
59 H3* A 6 H3* A 6 13.465 3.440 7.672
60 H2* A 6 H2* A 6 13.260 3.673 5.302
61 2HO* A 6 2HO* A 6 15.018 3.265 3.936
62 H1* A 6 H1* A 6 14.235 1.163 4.768
63 H8 A 6 H8 A 6 12.082 0.804 7.833
64 1H6 A 6 1H6 A 6 7.195 0.730 4.056
65 2H6 A 6 2H6 A 6 7.752 0.456 5.689
66 H2 A 6 H2 A 6 10.791 1.962 1.672
67 1H5* C 7 1H5* C 7 15.409 5.672 4.662
68 2H5* C 7 2H5* C 7 14.978 7.396 4.788
69 H4* C 7 H4* C 7 14.423 6.272 2.581
70 H3* C 7 H3* C 7 12.165 7.487 4.178
71 H2* C 7 H2* C 7 10.733 7.069 2.293
72 2HO* C 7 2HO* C 7 12.255 7.621 0.632
73 H1* C 7 H1* C 7 11.769 4.533 1.873
74 1H4 C 7 1H4 C 7 6.601 3.824 5.564
75 2H4 C 7 2H4 C 7 7.610 3.937 6.989
76 H5 C 7 H5 C 7 10.004 4.488 6.889
77 H6 C 7 H6 C 7 11.829 5.023 5.398
78 1H5* A 8 1H5* A 8 10.390 11.547 1.363
79 2H5* A 8 2H5* A 8 9.576 10.512 2.569
80 H4* A 8 H4* A 8 9.536 10.306 -0.444
81 H3* A 8 H3* A 8 7.462 10.735 1.690
82 H2* A 8 H2* A 8 5.869 9.322 0.612
83 2HO* A 8 2HO* A 8 7.755 9.157 -1.536
84 H1* A 8 H1* A 8 7.514 7.288 0.145
85 H8 A 8 H8 A 8 9.377 8.146 3.081
86 1H6 A 8 1H6 A 8 4.584 6.655 6.696
87 2H6 A 8 2H6 A 8 6.301 6.985 6.652
88 H2 A 8 H2 A 8 3.105 7.064 2.493
89 1H5* U 9 1H5* U 9 5.310 10.854 -1.113
90 2H5* U 9 2H5* U 9 4.465 12.341 -1.627
91 H4* U 9 H4* U 9 2.922 10.457 -1.503
92 H3* U 9 H3* U 9 2.522 12.808 0.209
93 H2* U 9 H2* U 9 1.430 11.721 1.948
94 2HO* U 9 2HO* U 9 -0.215 10.273 1.595
95 H1* U 9 H1* U 9 1.850 9.009 1.329
96 H3 U 9 H3 U 9 2.260 9.988 5.865
97 H5 U 9 H5 U 9 6.028 10.627 4.109
98 H6 U 9 H6 U 9 4.982 10.397 1.946
99 1H5* U 10 1H5* U 10 -2.333 11.676 0.391
100 2H5* U 10 2H5* U 10 -2.551 13.008 -0.774
101 H4* U 10 H4* U 10 -3.729 13.078 1.591
102 H3* U 10 H3* U 10 -3.185 15.130 -0.184
103 H2* U 10 H2* U 10 -1.011 15.558 0.743
104 2HO* U 10 2HO* U 10 -2.238 17.529 0.821
105 H1* U 10 H1* U 10 -2.258 15.349 3.491
106 H3 U 10 H3 U 10 1.589 15.858 5.768
107 H5 U 10 H5 U 10 2.858 14.065 2.175
108 H6 U 10 H6 U 10 0.565 14.081 1.435
109 1H5* C 11 1H5* C 11 -7.583 15.862 2.979
110 2H5* C 11 2H5* C 11 -6.070 15.010 3.393
111 H4* C 11 H4* C 11 -8.715 13.710 2.687
112 H3* C 11 H3* C 11 -8.073 14.733 5.194
113 H2* C 11 H2* C 11 -6.184 13.330 5.498
114 2HO* C 11 2HO* C 11 -6.888 11.458 6.728
115 H1* C 11 H1* C 11 -7.749 11.074 4.241
116 1H4 C 11 1H4 C 11 -2.121 8.111 4.628
117 2H4 C 11 2H4 C 11 -1.271 9.531 4.067
118 H5 C 11 H5 C 11 -2.408 11.654 3.585
119 H6 C 11 H6 C 11 -4.542 12.782 3.545
120 1H5* C 12 1H5* C 12 -11.583 11.471 4.127
121 2H5* C 12 2H5* C 12 -12.735 12.615 3.380
122 H4* C 12 H4* C 12 -14.184 10.988 4.127
123 H3* C 12 H3* C 12 -14.498 13.254 5.591
124 H2* C 12 H2* C 12 -12.911 12.646 7.287
125 2HO* C 12 2HO* C 12 -14.163 11.868 9.116
126 H1* C 12 H1* C 12 -14.113 9.871 7.447
127 1H4 C 12 1H4 C 12 -8.827 8.946 10.885
128 2H4 C 12 2H4 C 12 -7.829 9.613 9.614
129 H5 C 12 H5 C 12 -8.759 10.569 7.552
130 H6 C 12 H6 C 12 -10.806 11.041 6.354
131 1H5* U 13 1H5* U 13 -17.079 8.379 4.456
132 2H5* U 13 2H5* U 13 -15.735 9.392 5.040
133 H4* U 13 H4* U 13 -15.701 10.195 2.543
134 H3* U 13 H3* U 13 -17.658 8.541 1.931
135 H2* U 13 H2* U 13 -16.743 6.748 3.307
136 2HO* U 13 2HO* U 13 -15.960 6.139 0.638
137 H1* U 13 H1* U 13 -14.161 6.980 1.757
138 H3 U 13 H3 U 13 -12.813 3.469 4.421
139 H5 U 13 H5 U 13 -13.857 6.563 7.095
140 H6 U 13 H6 U 13 -14.695 7.795 5.238
141 1H5* C 14 1H5* C 14 -13.444 12.147 0.097
142 2H5* C 14 2H5* C 14 -13.695 11.278 -1.439
143 H4* C 14 H4* C 14 -11.317 11.529 -1.084
144 H3* C 14 H3* C 14 -12.169 8.689 -0.429
145 H2* C 14 H2* C 14 -9.857 8.171 -0.162
146 2HO* C 14 2HO* C 14 -8.246 9.608 -0.886
147 H1* C 14 H1* C 14 -9.241 10.662 1.002
148 1H4 C 14 1H4 C 14 -9.460 6.379 5.726
149 2H4 C 14 2H4 C 14 -11.163 6.706 5.922
150 H5 C 14 H5 C 14 -12.413 8.162 4.406
151 H6 C 14 H6 C 14 -12.278 9.539 2.432
152 1H5* A 15 1H5* A 15 -8.689 8.384 -3.298
153 2H5* A 15 2H5* A 15 -9.110 6.958 -4.276
154 H4* A 15 H4* A 15 -6.850 6.997 -2.960
155 H3* A 15 H3* A 15 -8.769 4.663 -2.907
156 H2* A 15 H2* A 15 -7.245 3.455 -1.489
157 2HO* A 15 2HO* A 15 -5.461 5.673 -1.895
158 H1* A 15 H1* A 15 -6.805 5.552 0.190
159 H8 A 15 H8 A 15 -10.241 5.460 -1.397
160 1H6 A 15 1H6 A 15 -11.897 2.170 3.653
161 2H6 A 15 2H6 A 15 -12.515 2.947 2.208
162 H2 A 15 H2 A 15 -7.459 2.849 3.674
163 1H5* C 16 1H5* C 16 -5.165 2.819 -3.794
164 2H5* C 16 2H5* C 16 -5.362 1.505 -4.984
165 H4* C 16 H4* C 16 -4.413 0.783 -2.772
166 H3* C 16 H3* C 16 -7.088 -0.381 -3.586
167 H2* C 16 H2* C 16 -6.947 -1.807 -1.671
168 2HO* C 16 2HO* C 16 -5.026 -1.970 -0.483
169 H1* C 16 H1* C 16 -5.943 0.200 -0.026
170 1H4 C 16 1H4 C 16 -12.204 -0.067 1.132
171 2H4 C 16 2H4 C 16 -12.502 1.071 -0.167
172 H5 C 16 H5 C 16 -10.732 1.859 -1.680
173 H6 C 16 H6 C 16 -8.374 1.697 -2.202
174 1H5* G 17 1H5* G 17 -3.983 -3.380 -2.767
175 2H5* G 17 2H5* G 17 -4.120 -4.770 -3.873
176 H4* G 17 H4* G 17 -3.850 -5.453 -1.508
177 H3* G 17 H3* G 17 -6.523 -6.101 -2.773
178 H2* G 17 H2* G 17 -7.112 -7.286 -0.764
179 2HO* G 17 2HO* G 17 -5.514 -7.437 0.933
180 H1* G 17 H1* G 17 -6.239 -5.290 0.890
181 H8 G 17 H8 G 17 -7.579 -3.575 -2.186
182 H1 G 17 H1 G 17 -12.192 -5.569 1.758
183 1H2 G 17 1H2 G 17 -11.361 -6.911 3.306
184 2H2 G 17 2H2 G 17 -9.658 -7.311 3.371
185 1H5* G 18 1H5* G 18 -5.266 -9.567 -0.980
186 2H5* G 18 2H5* G 18 -5.518 -10.999 -2.010
187 H4* G 18 H4* G 18 -6.555 -11.225 0.235
188 H3* G 18 H3* G 18 -8.469 -11.086 -2.103
189 H2* G 18 H2* G 18 -10.250 -11.556 -0.577
190 2HO* G 18 2HO* G 18 -9.177 -13.159 0.689
191 H1* G 18 H1* G 18 -9.239 -9.882 1.411
192 H8 G 18 H8 G 18 -8.858 -8.248 -1.998
193 H1 G 18 H1 G 18 -14.721 -7.620 0.494
194 1H2 G 18 1H2 G 18 -14.945 -8.909 2.278
195 2H2 G 18 2H2 G 18 -13.648 -9.931 2.855
196 1H5* G 19 1H5* G 19 -10.746 -15.173 -3.481
197 2H5* G 19 2H5* G 19 -10.965 -13.423 -3.761
198 H4* G 19 H4* G 19 -12.192 -14.948 -1.447
199 H3* G 19 H3* G 19 -13.388 -14.184 -4.118
200 H2* G 19 H2* G 19 -15.499 -13.884 -3.012
201 2HO* G 19 2HO* G 19 -15.779 -14.522 -0.862
202 H1* G 19 H1* G 19 -14.405 -12.514 -0.889
203 H8 G 19 H8 G 19 -12.990 -12.055 -4.484
204 H1 G 19 H1 G 19 -17.269 -7.671 -2.640
205 1H2 G 19 1H2 G 19 -18.079 -8.184 -0.657
206 2H2 G 19 2H2 G 19 -17.568 -9.607 0.222
207 1H5* U 20 1H5* U 20 -14.753 -14.195 -6.663
208 2H5* U 20 2H5* U 20 -15.544 -14.266 -5.068
209 H4* U 20 H4* U 20 -16.452 -15.455 -7.694
210 H3* U 20 H3* U 20 -17.763 -13.726 -5.576
211 H2* U 20 H2* U 20 -19.878 -14.570 -6.240
212 2HO* U 20 2HO* U 20 -18.484 -15.578 -8.537
213 H1* U 20 H1* U 20 -18.927 -17.169 -6.742
214 H3 U 20 H3 U 20 -21.331 -18.368 -3.177
215 H5 U 20 H5 U 20 -18.918 -15.286 -1.646
216 H6 U 20 H6 U 20 -18.005 -14.978 -3.884
217 1H5* G 21 1H5* G 21 -19.174 -9.545 -5.511
218 2H5* G 21 2H5* G 21 -18.224 -10.692 -4.527
219 H4* G 21 H4* G 21 -21.215 -10.860 -5.006
220 H3* G 21 H3* G 21 -19.645 -9.812 -2.642
221 H2* G 21 H2* G 21 -21.318 -10.680 -1.187
222 2HO* G 21 2HO* G 21 -23.193 -10.142 -2.357
223 H1* G 21 H1* G 21 -21.597 -13.054 -2.513
224 H8 G 21 H8 G 21 -17.975 -11.821 -2.380
225 H1 G 21 H1 G 21 -19.769 -15.297 2.672
226 1H2 G 21 1H2 G 21 -21.947 -15.690 2.598
227 2H2 G 21 2H2 G 21 -22.956 -15.090 1.304
228 1H5* A 22 1H5* A 22 -23.657 -7.864 -2.097
229 2H5* A 22 2H5* A 22 -23.471 -6.601 -0.849
230 H4* A 22 H4* A 22 -24.859 -8.714 -0.274
231 H3* A 22 H3* A 22 -22.598 -7.783 1.497
232 H2* A 22 H2* A 22 -23.233 -9.489 3.065
233 2HO* A 22 2HO* A 22 -25.506 -9.420 2.848
234 H1* A 22 H1* A 22 -23.408 -11.393 1.127
235 H8 A 22 H8 A 22 -20.608 -9.194 -0.008
236 1H6 A 22 1H6 A 22 -16.965 -12.146 4.012
237 2H6 A 22 2H6 A 22 -17.008 -11.030 2.668
238 H2 A 22 H2 A 22 -21.206 -13.298 4.840
239 1H5* C 23 1H5* C 23 -21.769 -4.738 2.987
240 2H5* C 23 2H5* C 23 -22.332 -6.070 1.964
241 H4* C 23 H4* C 23 -22.084 -7.197 4.505
242 H3* C 23 H3* C 23 -19.855 -5.229 4.024
243 H2* C 23 H2* C 23 -18.226 -6.819 4.735
244 2HO* C 23 2HO* C 23 -20.476 -8.434 5.466
245 H1* C 23 H1* C 23 -19.202 -8.882 3.290
246 1H4 C 23 1H4 C 23 -15.286 -5.671 -0.643
247 2H4 C 23 2H4 C 23 -16.658 -4.786 -1.266
248 H5 C 23 H5 C 23 -18.911 -4.976 -0.320
249 H6 C 23 H6 C 23 -20.253 -6.053 1.376
250 1H5* C 24 1H5* C 24 -18.941 -6.895 7.729
251 2H5* C 24 2H5* C 24 -18.252 -5.686 8.845
252 H4* C 24 H4* C 24 -16.743 -7.638 8.351
253 H3* C 24 H3* C 24 -15.778 -4.900 7.489
254 H2* C 24 H2* C 24 -13.675 -5.937 6.972
255 2HO* C 24 2HO* C 24 -13.336 -8.145 7.500
256 H1* C 24 H1* C 24 -14.861 -8.100 5.727
257 1H4 C 24 1H4 C 24 -13.608 -3.834 1.132
258 2H4 C 24 2H4 C 24 -15.149 -3.062 1.421
259 H5 C 24 H5 C 24 -16.645 -3.714 3.248
260 H6 C 24 H6 C 24 -16.926 -5.212 5.114
261 1H5* G 25 1H5* G 25 -12.842 -6.681 9.823
262 2H5* G 25 2H5* G 25 -11.943 -5.534 10.848
263 H4* G 25 H4* G 25 -10.507 -6.914 9.322
264 H3* G 25 H3* G 25 -10.508 -3.914 8.925
265 H2* G 25 H2* G 25 -8.788 -4.199 7.286
266 2HO* G 25 2HO* G 25 -7.790 -6.212 6.988
267 H1* G 25 H1* G 25 -10.010 -6.336 6.068
268 H8 G 25 H8 G 25 -12.893 -4.162 6.988
269 H1 G 25 H1 G 25 -9.491 -1.704 2.146
270 1H2 G 25 1H2 G 25 -7.559 -2.771 1.961
271 2H2 G 25 2H2 G 25 -7.114 -4.092 3.019
272 1H5* U 26 1H5* U 26 -6.549 -4.773 9.021
273 2H5* U 26 2H5* U 26 -5.605 -3.550 9.912
274 H4* U 26 H4* U 26 -5.002 -3.863 7.460
275 H3* U 26 H3* U 26 -5.869 -1.143 8.462
276 H2* U 26 H2* U 26 -5.453 -0.245 6.295
277 2HO* U 26 2HO* U 26 -4.275 -1.403 4.753
278 H1* U 26 H1* U 26 -6.410 -2.492 4.925
279 H3 U 26 H3 U 26 -9.056 1.183 4.058
280 H5 U 26 H5 U 26 -10.669 -0.627 7.497
281 H6 U 26 H6 U 26 -8.702 -2.036 7.596
282 1H5* G 27 1H5* G 27 -2.110 -1.193 6.378
283 2H5* G 27 2H5* G 27 -0.924 0.020 6.925
284 H4* G 27 H4* G 27 -1.757 -0.146 4.395
285 H3* G 27 H3* G 27 -0.307 1.791 5.729
286 H2* G 27 H2* G 27 -2.157 3.087 6.399
287 2HO* G 27 2HO* G 27 -0.843 4.407 4.973
288 H1* G 27 H1* G 27 -3.505 2.651 3.734
289 H8 G 27 H8 G 27 -4.611 1.764 7.295
290 H1 G 27 H1 G 27 -7.929 6.479 4.550
291 1H2 G 27 1H2 G 27 -7.018 7.033 2.611
292 2H2 G 27 2H2 G 27 -5.597 6.223 1.991
293 1H5* G 28 1H5* G 28 -1.618 3.443 0.876
294 2H5* G 28 2H5* G 28 -2.135 2.078 -0.146
295 H4* G 28 H4* G 28 -0.986 3.258 -1.713
296 H3* G 28 H3* G 28 1.058 1.563 -0.313
297 H2* G 28 H2* G 28 2.892 2.689 -1.294
298 2HO* G 28 2HO* G 28 2.555 4.219 -2.977
299 H1* G 28 H1* G 28 2.014 5.184 -0.956
300 H8 G 28 H8 G 28 0.515 3.431 2.013
301 H1 G 28 H1 G 28 6.774 4.505 2.702
302 1H2 G 28 1H2 G 28 7.666 5.132 0.783
303 2H2 G 28 2H2 G 28 6.719 5.295 -0.680
304 1H5* U 29 1H5* U 29 2.302 1.299 -4.364
305 2H5* U 29 2H5* U 29 2.816 -0.364 -4.761
306 H4* U 29 H4* U 29 4.596 1.348 -5.118
307 H3* U 29 H3* U 29 5.113 -0.696 -2.946
308 H2* U 29 H2* U 29 7.295 0.212 -2.739
309 2HO* U 29 2HO* U 29 8.117 1.662 -4.285
310 H1* U 29 H1* U 29 6.457 2.851 -3.104
311 H3 U 29 H3 U 29 8.146 2.221 1.194
312 H5 U 29 H5 U 29 4.109 1.024 1.345
313 H6 U 29 H6 U 29 4.028 1.215 -1.055
314 1H5* C 30 1H5* C 30 8.549 -0.665 -5.474
315 2H5* C 30 2H5* C 30 9.355 -2.255 -5.423
316 H4* C 30 H4* C 30 10.616 -0.144 -4.535
317 H3* C 30 H3* C 30 10.434 -2.735 -2.990
318 H2* C 30 H2* C 30 11.837 -1.784 -1.312
319 2HO* C 30 2HO* C 30 12.907 0.197 -1.675
320 H1* C 30 H1* C 30 10.625 0.714 -1.390
321 1H4 C 30 1H4 C 30 8.032 -2.642 3.444
322 2H4 C 30 2H4 C 30 6.634 -2.912 2.432
323 H5 C 30 H5 C 30 6.552 -2.275 0.069
324 H6 C 30 H6 C 30 7.799 -1.278 -1.738
325 1H5* C 31 1H5* C 31 14.386 -1.840 -2.667
326 2H5* C 31 2H5* C 31 15.387 -3.213 -3.210
327 H4* C 31 H4* C 31 16.110 -2.526 -1.002
328 H3* C 31 H3* C 31 14.511 -5.094 -0.961
329 H2* C 31 H2* C 31 15.014 -5.287 1.374
330 2HO* C 31 2HO* C 31 16.418 -3.692 2.340
331 H1* C 31 H1* C 31 14.466 -2.646 1.898
332 1H4 C 31 1H4 C 31 8.982 -5.768 2.856
333 2H4 C 31 2H4 C 31 8.545 -5.523 1.180
334 H5 C 31 H5 C 31 10.075 -4.529 -0.462
335 H6 C 31 H6 C 31 12.281 -3.599 -0.768
336 1H5* U 32 1H5* U 32 17.357 -6.366 1.478
337 2H5* U 32 2H5* U 32 18.299 -7.580 0.578
338 H4* U 32 H4* U 32 17.866 -8.601 2.638
339 H3* U 32 H3* U 32 15.725 -9.501 0.704
340 H2* U 32 H2* U 32 14.912 -10.950 2.403
341 2HO* U 32 2HO* U 32 17.214 -10.139 3.895
342 H1* U 32 H1* U 32 15.020 -9.101 4.359
343 H3 U 32 H3 U 32 10.686 -9.705 3.274
344 H5 U 32 H5 U 32 12.066 -6.882 0.501
345 H6 U 32 H6 U 32 14.343 -7.295 1.314
346 1H5* C 33 1H5* C 33 17.345 -12.916 2.751
347 2H5* C 33 2H5* C 33 17.246 -14.365 1.720
348 H4* C 33 H4* C 33 16.068 -14.553 3.943
349 H3* C 33 H3* C 33 14.360 -14.793 1.452
350 H2* C 33 H2* C 33 12.570 -15.436 2.896
351 2HO* C 33 2HO* C 33 14.486 -15.380 5.017
352 H1* C 33 H1* C 33 13.109 -13.471 4.751
353 1H4 C 33 1H4 C 33 8.694 -11.045 0.829
354 2H4 C 33 2H4 C 33 9.943 -10.509 -0.273
355 H5 C 33 H5 C 33 12.326 -11.053 0.038
356 H6 C 33 H6 C 33 13.899 -12.216 1.455
357 1H5* C 34 1H5* C 34 13.561 -18.099 4.099
358 2H5* C 34 2H5* C 34 13.270 -19.550 3.112
359 H4* C 34 H4* C 34 11.443 -18.985 4.758
360 H3* C 34 H3* C 34 10.744 -19.029 1.812
361 H2* C 34 H2* C 34 8.454 -18.747 2.437
362 2HO* C 34 2HO* C 34 8.638 -20.228 4.303
363 H1* C 34 H1* C 34 9.025 -16.887 4.437
364 1H4 C 34 1H4 C 34 7.397 -13.543 -0.762
365 2H4 C 34 2H4 C 34 9.065 -13.545 -1.292
366 H5 C 34 H5 C 34 10.832 -14.817 -0.144
367 H6 C 34 H6 C 34 11.296 -16.295 1.709
Start of MODEL 6
1 1H5* G 1 1H5* G 1 -0.480 -12.429 0.737
2 2H5* G 1 2H5* G 1 0.962 -12.377 -0.273
3 H4* G 1 H4* G 1 0.251 -14.614 1.637
4 H3* G 1 H3* G 1 2.260 -12.365 1.898
5 H2* G 1 H2* G 1 3.599 -13.846 3.207
6 2HO* G 1 2HO* G 1 2.804 -15.807 3.943
7 H1* G 1 H1* G 1 3.229 -15.984 1.524
8 H8 G 1 H8 G 1 3.542 -12.937 -0.653
9 H1 G 1 H1 G 1 9.170 -14.899 1.658
10 1H2 G 1 1H2 G 1 8.862 -16.408 3.243
11 2H2 G 1 2H2 G 1 7.267 -16.943 3.724
12 1H5* G 2 1H5* G 2 1.704 -13.877 5.958
13 2H5* G 2 2H5* G 2 1.930 -12.508 7.082
14 H4* G 2 H4* G 2 3.483 -14.524 7.372
15 H3* G 2 H3* G 2 4.672 -11.773 6.924
16 H2* G 2 H2* G 2 6.818 -12.741 7.334
17 2HO* G 2 2HO* G 2 5.371 -15.078 8.137
18 H1* G 2 H1* G 2 6.259 -15.057 5.886
19 H8 G 2 H8 G 2 4.883 -12.431 3.685
20 H1 G 2 H1 G 2 11.272 -12.229 3.805
21 1H2 G 2 1H2 G 2 12.050 -13.439 5.484
22 2H2 G 2 2H2 G 2 10.994 -14.313 6.571
23 1H5* A 3 1H5* A 3 6.499 -13.167 10.721
24 2H5* A 3 2H5* A 3 6.345 -11.765 11.816
25 H4* A 3 H4* A 3 8.639 -12.605 11.820
26 H3* A 3 H3* A 3 8.344 -9.971 10.356
27 H2* A 3 H2* A 3 10.752 -9.905 10.231
28 2HO* A 3 2HO* A 3 12.000 -11.403 11.329
29 H1* A 3 H1* A 3 10.919 -12.496 9.362
30 H8 A 3 H8 A 3 7.728 -11.162 7.881
31 1H6 A 3 1H6 A 3 11.210 -8.463 3.534
32 2H6 A 3 2H6 A 3 9.578 -8.873 4.017
33 H2 A 3 H2 A 3 13.905 -9.988 6.784
34 1H5* G 4 1H5* G 4 11.290 -9.247 13.244
35 2H5* G 4 2H5* G 4 11.080 -7.654 14.015
36 H4* G 4 H4* G 4 13.354 -7.947 13.108
37 H3* G 4 H3* G 4 11.669 -5.912 11.625
38 H2* G 4 H2* G 4 13.644 -5.344 10.378
39 2HO* G 4 2HO* G 4 14.987 -7.169 12.135
40 H1* G 4 H1* G 4 14.277 -7.958 9.883
41 H8 G 4 H8 G 4 10.539 -7.921 9.910
42 H1 G 4 H1 G 4 12.981 -5.312 4.614
43 1H2 G 4 1H2 G 4 15.147 -4.962 4.862
44 2H2 G 4 2H2 G 4 15.997 -5.385 6.331
45 1H5* G 5 1H5* G 5 15.183 -3.441 12.637
46 2H5* G 5 2H5* G 5 14.465 -1.938 13.272
47 H4* G 5 H4* G 5 16.110 -1.559 11.433
48 H3* G 5 H3* G 5 13.237 -0.798 10.842
49 H2* G 5 H2* G 5 14.009 0.155 8.777
50 2HO* G 5 2HO* G 5 16.224 0.327 8.348
51 H1* G 5 H1* G 5 15.589 -2.008 8.168
52 H8 G 5 H8 G 5 12.629 -3.558 9.840
53 H1 G 5 H1 G 5 11.249 -1.466 3.958
54 1H2 G 5 1H2 G 5 12.889 -0.190 3.189
55 2H2 G 5 2H2 G 5 14.319 0.152 4.134
56 1H5* A 6 1H5* A 6 15.869 2.856 10.205
57 2H5* A 6 2H5* A 6 14.817 4.270 10.489
58 H4* A 6 H4* A 6 16.031 4.040 8.199
59 H3* A 6 H3* A 6 13.051 4.557 8.378
60 H2* A 6 H2* A 6 13.050 4.806 6.000
61 2HO* A 6 2HO* A 6 15.017 4.844 4.844
62 H1* A 6 H1* A 6 14.686 2.637 5.578
63 H8 A 6 H8 A 6 12.350 1.668 8.371
64 1H6 A 6 1H6 A 6 8.096 0.508 4.045
65 2H6 A 6 2H6 A 6 8.515 0.334 5.732
66 H2 A 6 H2 A 6 11.539 2.644 2.101
67 1H5* C 7 1H5* C 7 14.677 7.344 5.641
68 2H5* C 7 2H5* C 7 13.775 8.880 5.704
69 H4* C 7 H4* C 7 13.815 7.721 3.452
70 H3* C 7 H3* C 7 11.122 8.175 4.749
71 H2* C 7 H2* C 7 10.139 7.472 2.663
72 2HO* C 7 2HO* C 7 11.569 6.955 0.898
73 H1* C 7 H1* C 7 11.819 5.306 2.452
74 1H4 C 7 1H4 C 7 6.624 3.296 5.602
75 2H4 C 7 2H4 C 7 7.420 3.647 7.121
76 H5 C 7 H5 C 7 9.598 4.777 7.256
77 H6 C 7 H6 C 7 11.376 5.762 5.955
78 1H5* A 8 1H5* A 8 10.629 9.983 0.921
79 2H5* A 8 2H5* A 8 9.648 11.458 1.132
80 H4* A 8 H4* A 8 8.695 9.747 -0.464
81 H3* A 8 H3* A 8 7.083 10.528 1.973
82 H2* A 8 H2* A 8 5.293 9.153 1.158
83 2HO* A 8 2HO* A 8 5.433 8.193 -0.907
84 H1* A 8 H1* A 8 6.909 7.061 0.502
85 H8 A 8 H8 A 8 8.667 7.967 3.537
86 1H6 A 8 1H6 A 8 3.916 5.887 6.903
87 2H6 A 8 2H6 A 8 5.593 6.382 6.941
88 H2 A 8 H2 A 8 2.556 6.330 2.663
89 1H5* U 9 1H5* U 9 4.768 10.592 -0.867
90 2H5* U 9 2H5* U 9 3.761 11.976 -1.357
91 H4* U 9 H4* U 9 2.510 9.818 -1.112
92 H3* U 9 H3* U 9 1.723 12.334 0.109
93 H2* U 9 H2* U 9 1.258 11.449 2.225
94 2HO* U 9 2HO* U 9 -0.569 9.832 0.782
95 H1* U 9 H1* U 9 1.290 8.608 1.366
96 H3 U 9 H3 U 9 1.190 8.360 5.942
97 H5 U 9 H5 U 9 4.952 9.983 4.968
98 H6 U 9 H6 U 9 4.223 10.158 2.689
99 1H5* U 10 1H5* U 10 -2.415 10.919 0.272
100 2H5* U 10 2H5* U 10 -3.232 11.965 -0.919
101 H4* U 10 H4* U 10 -4.259 12.059 1.356
102 H3* U 10 H3* U 10 -3.951 14.257 -0.228
103 H2* U 10 H2* U 10 -1.770 14.770 0.667
104 2HO* U 10 2HO* U 10 -3.676 16.277 2.127
105 H1* U 10 H1* U 10 -2.936 14.386 3.428
106 H3 U 10 H3 U 10 0.955 15.142 5.580
107 H5 U 10 H5 U 10 2.199 13.468 1.919
108 H6 U 10 H6 U 10 -0.123 13.327 1.280
109 1H5* C 11 1H5* C 11 -7.601 15.454 4.194
110 2H5* C 11 2H5* C 11 -6.055 14.694 3.727
111 H4* C 11 H4* C 11 -8.655 13.771 2.521
112 H3* C 11 H3* C 11 -7.995 13.392 5.339
113 H2* C 11 H2* C 11 -6.750 11.451 4.986
114 2HO* C 11 2HO* C 11 -9.197 10.343 4.082
115 H1* C 11 H1* C 11 -8.058 11.002 2.305
116 1H4 C 11 1H4 C 11 -2.916 7.347 1.421
117 2H4 C 11 2H4 C 11 -1.920 8.401 2.399
118 H5 C 11 H5 C 11 -2.793 10.423 3.488
119 H6 C 11 H6 C 11 -4.762 11.770 3.838
120 1H5* C 12 1H5* C 12 -11.650 11.227 3.721
121 2H5* C 12 2H5* C 12 -12.830 12.567 3.894
122 H4* C 12 H4* C 12 -14.080 10.567 3.693
123 H3* C 12 H3* C 12 -14.553 12.071 5.918
124 H2* C 12 H2* C 12 -13.013 10.889 7.320
125 2HO* C 12 2HO* C 12 -14.300 9.317 8.551
126 H1* C 12 H1* C 12 -14.015 8.242 6.228
127 1H4 C 12 1H4 C 12 -8.856 6.502 9.613
128 2H4 C 12 2H4 C 12 -7.832 7.214 8.389
129 H5 C 12 H5 C 12 -8.719 8.516 6.496
130 H6 C 12 H6 C 12 -10.737 9.341 5.470
131 1H5* U 13 1H5* U 13 -17.736 8.196 2.956
132 2H5* U 13 2H5* U 13 -16.874 8.345 4.509
133 H4* U 13 H4* U 13 -15.510 9.998 2.676
134 H3* U 13 H3* U 13 -16.685 8.128 1.002
135 H2* U 13 H2* U 13 -15.696 6.275 2.148
136 2HO* U 13 2HO* U 13 -14.958 6.361 -0.119
137 H1* U 13 H1* U 13 -13.175 7.946 2.296
138 H3 U 13 H3 U 13 -11.007 5.534 5.603
139 H5 U 13 H5 U 13 -14.461 3.320 4.661
140 H6 U 13 H6 U 13 -15.172 5.095 3.287
141 1H5* C 14 1H5* C 14 -13.079 7.558 -2.995
142 2H5* C 14 2H5* C 14 -13.236 6.956 -1.326
143 H4* C 14 H4* C 14 -11.006 8.783 -2.261
144 H3* C 14 H3* C 14 -11.059 5.771 -1.980
145 H2* C 14 H2* C 14 -8.762 5.852 -1.325
146 2HO* C 14 2HO* C 14 -7.627 7.893 -1.461
147 H1* C 14 H1* C 14 -9.073 8.158 0.230
148 1H4 C 14 1H4 C 14 -9.242 3.262 4.312
149 2H4 C 14 2H4 C 14 -10.967 3.106 4.054
150 H5 C 14 H5 C 14 -12.196 4.417 2.370
151 H6 C 14 H6 C 14 -11.963 6.098 0.659
152 1H5* A 15 1H5* A 15 -7.655 5.902 -3.649
153 2H5* A 15 2H5* A 15 -7.555 4.910 -5.129
154 H4* A 15 H4* A 15 -5.843 4.131 -3.667
155 H3* A 15 H3* A 15 -8.258 2.311 -3.544
156 H2* A 15 H2* A 15 -7.047 0.864 -2.050
157 2HO* A 15 2HO* A 15 -4.964 1.065 -3.059
158 H1* A 15 H1* A 15 -6.145 2.926 -0.491
159 H8 A 15 H8 A 15 -9.563 3.800 -1.848
160 1H6 A 15 1H6 A 15 -11.831 0.669 3.031
161 2H6 A 15 2H6 A 15 -12.254 1.720 1.693
162 H2 A 15 H2 A 15 -7.420 0.005 2.804
163 1H5* C 16 1H5* C 16 -5.052 -0.286 -4.593
164 2H5* C 16 2H5* C 16 -5.582 -1.543 -5.743
165 H4* C 16 H4* C 16 -4.599 -2.459 -3.647
166 H3* C 16 H3* C 16 -7.546 -3.016 -4.078
167 H2* C 16 H2* C 16 -7.413 -4.491 -2.189
168 2HO* C 16 2HO* C 16 -5.377 -4.916 -1.220
169 H1* C 16 H1* C 16 -5.921 -2.692 -0.706
170 1H4 C 16 1H4 C 16 -12.020 -1.741 0.923
171 2H4 C 16 2H4 C 16 -12.194 -0.578 -0.374
172 H5 C 16 H5 C 16 -10.421 -0.140 -2.019
173 H6 C 16 H6 C 16 -8.185 -0.755 -2.711
174 1H5* G 17 1H5* G 17 -5.614 -6.712 -3.542
175 2H5* G 17 2H5* G 17 -6.192 -7.925 -4.713
176 H4* G 17 H4* G 17 -6.276 -8.831 -2.456
177 H3* G 17 H3* G 17 -9.020 -8.157 -3.548
178 H2* G 17 H2* G 17 -9.942 -9.215 -1.593
179 2HO* G 17 2HO* G 17 -8.556 -10.288 -0.124
180 H1* G 17 H1* G 17 -8.189 -7.951 0.108
181 H8 G 17 H8 G 17 -8.982 -5.522 -2.670
182 H1 G 17 H1 G 17 -13.614 -5.938 1.726
183 1H2 G 17 1H2 G 17 -13.243 -7.659 3.068
184 2H2 G 17 2H2 G 17 -11.845 -8.693 2.885
185 1H5* G 18 1H5* G 18 -9.293 -12.037 -2.246
186 2H5* G 18 2H5* G 18 -10.168 -13.079 -3.401
187 H4* G 18 H4* G 18 -11.116 -13.158 -1.107
188 H3* G 18 H3* G 18 -12.889 -11.889 -3.208
189 H2* G 18 H2* G 18 -14.622 -11.803 -1.571
190 2HO* G 18 2HO* G 18 -14.254 -13.932 -0.696
191 H1* G 18 H1* G 18 -12.856 -11.134 0.518
192 H8 G 18 H8 G 18 -12.059 -9.051 -2.533
193 H1 G 18 H1 G 18 -17.076 -6.860 0.792
194 1H2 G 18 1H2 G 18 -17.694 -8.345 2.308
195 2H2 G 18 2H2 G 18 -16.873 -9.878 2.500
196 1H5* G 19 1H5* G 19 -16.427 -14.173 -5.343
197 2H5* G 19 2H5* G 19 -15.865 -12.490 -5.147
198 H4* G 19 H4* G 19 -17.915 -13.893 -3.405
199 H3* G 19 H3* G 19 -18.234 -11.781 -5.554
200 H2* G 19 H2* G 19 -20.147 -10.974 -4.344
201 2HO* G 19 2HO* G 19 -20.882 -12.103 -2.498
202 H1* G 19 H1* G 19 -18.836 -11.024 -1.940
203 H8 G 19 H8 G 19 -16.936 -10.175 -5.227
204 H1 G 19 H1 G 19 -18.888 -5.137 -1.809
205 1H2 G 19 1H2 G 19 -20.068 -5.806 -0.077
206 2H2 G 19 2H2 G 19 -20.373 -7.496 0.250
207 1H5* U 20 1H5* U 20 -19.784 -10.929 -8.150
208 2H5* U 20 2H5* U 20 -20.190 -11.466 -6.503
209 H4* U 20 H4* U 20 -22.025 -11.306 -8.905
210 H3* U 20 H3* U 20 -22.045 -9.967 -6.189
211 H2* U 20 H2* U 20 -24.421 -9.848 -6.333
212 2HO* U 20 2HO* U 20 -24.468 -9.121 -8.563
213 H1* U 20 H1* U 20 -24.660 -12.333 -7.660
214 H3 U 20 H3 U 20 -26.387 -14.192 -3.992
215 H5 U 20 H5 U 20 -23.359 -11.742 -2.413
216 H6 U 20 H6 U 20 -22.787 -11.090 -4.676
217 1H5* G 21 1H5* G 21 -22.665 -5.962 -5.289
218 2H5* G 21 2H5* G 21 -22.034 -7.479 -4.589
219 H4* G 21 H4* G 21 -24.875 -6.444 -4.343
220 H3* G 21 H3* G 21 -22.587 -6.513 -2.370
221 H2* G 21 H2* G 21 -24.170 -6.876 -0.618
222 2HO* G 21 2HO* G 21 -25.857 -5.507 -1.293
223 H1* G 21 H1* G 21 -25.581 -8.763 -1.967
224 H8 G 21 H8 G 21 -21.803 -8.808 -2.689
225 H1 G 21 H1 G 21 -23.622 -12.467 2.225
226 1H2 G 21 1H2 G 21 -25.765 -12.148 2.667
227 2H2 G 21 2H2 G 21 -26.749 -11.027 1.755
228 1H5* A 22 1H5* A 22 -25.209 -3.231 -0.928
229 2H5* A 22 2H5* A 22 -24.367 -2.232 0.287
230 H4* A 22 H4* A 22 -26.336 -3.626 1.119
231 H3* A 22 H3* A 22 -23.615 -4.041 2.370
232 H2* A 22 H2* A 22 -24.710 -5.440 3.999
233 2HO* A 22 2HO* A 22 -26.684 -4.154 4.121
234 H1* A 22 H1* A 22 -26.122 -6.787 2.059
235 H8 A 22 H8 A 22 -22.809 -5.949 0.511
236 1H6 A 22 1H6 A 22 -20.379 -10.792 3.434
237 2H6 A 22 2H6 A 22 -20.118 -9.568 2.213
238 H2 A 22 H2 A 22 -24.461 -10.106 5.083
239 1H5* C 23 1H5* C 23 -24.332 -3.588 5.134
240 2H5* C 23 2H5* C 23 -23.306 -2.797 6.354
241 H4* C 23 H4* C 23 -23.019 -5.299 6.127
242 H3* C 23 H3* C 23 -20.619 -3.541 5.585
243 H2* C 23 H2* C 23 -19.314 -5.554 5.497
244 2HO* C 23 2HO* C 23 -20.299 -7.567 6.016
245 H1* C 23 H1* C 23 -21.194 -6.894 3.963
246 1H4 C 23 1H4 C 23 -16.991 -4.345 -0.117
247 2H4 C 23 2H4 C 23 -17.942 -2.877 -0.189
248 H5 C 23 H5 C 23 -19.906 -2.490 1.238
249 H6 C 23 H6 C 23 -21.306 -3.444 2.972
250 1H5* C 24 1H5* C 24 -19.613 -6.276 8.661
251 2H5* C 24 2H5* C 24 -18.462 -5.581 9.835
252 H4* C 24 H4* C 24 -17.671 -7.705 8.785
253 H3* C 24 H3* C 24 -16.064 -5.227 8.112
254 H2* C 24 H2* C 24 -14.467 -6.703 7.101
255 2HO* C 24 2HO* C 24 -14.667 -8.957 7.344
256 H1* C 24 H1* C 24 -16.441 -8.257 5.901
257 1H4 C 24 1H4 C 24 -14.585 -4.086 1.434
258 2H4 C 24 2H4 C 24 -15.589 -2.842 2.143
259 H5 C 24 H5 C 24 -16.835 -3.160 4.234
260 H6 C 24 H6 C 24 -17.335 -4.724 6.005
261 1H5* G 25 1H5* G 25 -13.384 -7.973 9.762
262 2H5* G 25 2H5* G 25 -12.272 -7.196 10.920
263 H4* G 25 H4* G 25 -11.018 -8.489 9.278
264 H3* G 25 H3* G 25 -10.793 -5.499 8.847
265 H2* G 25 H2* G 25 -9.165 -5.964 7.163
266 2HO* G 25 2HO* G 25 -8.396 -8.096 6.858
267 H1* G 25 H1* G 25 -10.616 -8.029 6.057
268 H8 G 25 H8 G 25 -13.095 -5.382 7.075
269 H1 G 25 H1 G 25 -9.930 -3.889 1.706
270 1H2 G 25 1H2 G 25 -8.228 -5.276 1.422
271 2H2 G 25 2H2 G 25 -7.875 -6.571 2.545
272 1H5* U 26 1H5* U 26 -6.756 -6.728 8.922
273 2H5* U 26 2H5* U 26 -5.754 -5.389 9.546
274 H4* U 26 H4* U 26 -5.406 -6.166 7.094
275 H3* U 26 H3* U 26 -5.869 -3.256 7.788
276 H2* U 26 H2* U 26 -5.510 -2.724 5.488
277 2HO* U 26 2HO* U 26 -4.630 -4.230 4.060
278 H1* U 26 H1* U 26 -6.880 -4.967 4.538
279 H3 U 26 H3 U 26 -9.098 -1.105 3.349
280 H5 U 26 H5 U 26 -10.577 -2.162 7.141
281 H6 U 26 H6 U 26 -8.817 -3.821 7.292
282 1H5* G 27 1H5* G 27 -2.386 -3.958 5.428
283 2H5* G 27 2H5* G 27 -1.079 -2.764 5.626
284 H4* G 27 H4* G 27 -2.325 -3.229 3.276
285 H3* G 27 H3* G 27 -0.479 -1.358 3.979
286 H2* G 27 H2* G 27 -2.086 0.125 4.973
287 2HO* G 27 2HO* G 27 -2.412 1.840 3.447
288 H1* G 27 H1* G 27 -3.829 -0.287 2.530
289 H8 G 27 H8 G 27 -4.758 -0.885 6.179
290 H1 G 27 H1 G 27 -7.318 4.407 3.685
291 1H2 G 27 1H2 G 27 -6.457 4.817 1.695
292 2H2 G 27 2H2 G 27 -5.254 3.771 0.969
293 1H5* G 28 1H5* G 28 -1.868 1.619 -0.433
294 2H5* G 28 2H5* G 28 -1.186 0.066 -0.978
295 H4* G 28 H4* G 28 -0.264 2.004 -2.211
296 H3* G 28 H3* G 28 1.641 0.435 -0.482
297 H2* G 28 H2* G 28 3.430 1.847 -1.145
298 2HO* G 28 2HO* G 28 3.120 3.412 -2.789
299 H1* G 28 H1* G 28 2.075 4.165 -0.852
300 H8 G 28 H8 G 28 0.673 2.077 1.914
301 H1 G 28 H1 G 28 6.604 4.114 3.174
302 1H2 G 28 1H2 G 28 7.539 4.949 1.354
303 2H2 G 28 2H2 G 28 6.696 5.011 -0.179
304 1H5* U 29 1H5* U 29 3.451 0.785 -4.368
305 2H5* U 29 2H5* U 29 4.219 -0.754 -4.845
306 H4* U 29 H4* U 29 5.767 1.171 -5.011
307 H3* U 29 H3* U 29 6.423 -0.848 -2.852
308 H2* U 29 H2* U 29 8.446 0.340 -2.480
309 2HO* U 29 2HO* U 29 9.135 1.960 -3.919
310 H1* U 29 H1* U 29 7.273 2.841 -2.769
311 H3 U 29 H3 U 29 8.663 2.218 1.618
312 H5 U 29 H5 U 29 4.865 0.407 1.350
313 H6 U 29 H6 U 29 4.950 0.736 -1.038
314 1H5* C 30 1H5* C 30 9.979 -0.265 -5.168
315 2H5* C 30 2H5* C 30 10.989 -1.734 -5.102
316 H4* C 30 H4* C 30 11.908 0.504 -4.113
317 H3* C 30 H3* C 30 11.995 -2.113 -2.599
318 H2* C 30 H2* C 30 13.197 -0.995 -0.864
319 2HO* C 30 2HO* C 30 14.008 1.105 -1.174
320 H1* C 30 H1* C 30 11.649 1.309 -0.982
321 1H4 C 30 1H4 C 30 9.368 -2.421 3.730
322 2H4 C 30 2H4 C 30 8.069 -2.887 2.659
323 H5 C 30 H5 C 30 7.995 -2.255 0.294
324 H6 C 30 H6 C 30 9.158 -1.072 -1.458
325 1H5* C 31 1H5* C 31 15.794 -0.648 -2.109
326 2H5* C 31 2H5* C 31 16.995 -1.895 -2.537
327 H4* C 31 H4* C 31 17.442 -1.014 -0.303
328 H3* C 31 H3* C 31 16.331 -3.829 -0.313
329 H2* C 31 H2* C 31 16.693 -3.907 2.052
330 2HO* C 31 2HO* C 31 17.790 -2.179 3.095
331 H1* C 31 H1* C 31 15.682 -1.382 2.481
332 1H4 C 31 1H4 C 31 10.770 -5.385 3.261
333 2H4 C 31 2H4 C 31 10.382 -5.245 1.561
334 H5 C 31 H5 C 31 11.800 -4.029 -0.033
335 H6 C 31 H6 C 31 13.831 -2.742 -0.259
336 1H5* U 32 1H5* U 32 19.167 -4.574 2.345
337 2H5* U 32 2H5* U 32 20.365 -5.611 1.532
338 H4* U 32 H4* U 32 19.958 -6.698 3.562
339 H3* U 32 H3* U 32 18.142 -7.934 1.488
340 H2* U 32 H2* U 32 17.452 -9.501 3.134
341 2HO* U 32 2HO* U 32 18.469 -9.550 5.177
342 H1* U 32 H1* U 32 17.108 -7.669 5.076
343 H3 U 32 H3 U 32 12.992 -8.880 3.754
344 H5 U 32 H5 U 32 14.170 -6.029 0.912
345 H6 U 32 H6 U 32 16.410 -6.069 1.900
346 1H5* C 33 1H5* C 33 20.199 -11.007 3.690
347 2H5* C 33 2H5* C 33 20.417 -12.467 2.693
348 H4* C 33 H4* C 33 19.166 -12.831 4.851
349 H3* C 33 H3* C 33 17.662 -13.390 2.282
350 H2* C 33 H2* C 33 15.932 -14.313 3.643
351 2HO* C 33 2HO* C 33 16.239 -14.598 5.881
352 H1* C 33 H1* C 33 16.044 -12.274 5.501
353 1H4 C 33 1H4 C 33 11.436 -10.663 1.391
354 2H4 C 33 2H4 C 33 12.618 -9.956 0.311
355 H5 C 33 H5 C 33 15.046 -10.100 0.706
356 H6 C 33 H6 C 33 16.740 -10.962 2.198
357 1H5* C 34 1H5* C 34 17.355 -16.772 4.969
358 2H5* C 34 2H5* C 34 17.339 -18.262 3.997
359 H4* C 34 H4* C 34 15.393 -17.985 5.582
360 H3* C 34 H3* C 34 14.808 -18.191 2.617
361 H2* C 34 H2* C 34 12.484 -18.280 3.162
362 2HO* C 34 2HO* C 34 12.514 -19.646 4.966
363 H1* C 34 H1* C 34 12.670 -16.323 5.143
364 1H4 C 34 1H4 C 34 10.690 -13.350 -0.153
365 2H4 C 34 2H4 C 34 12.352 -13.118 -0.656
366 H5 C 34 H5 C 34 14.263 -14.090 0.552
367 H6 C 34 H6 C 34 14.900 -15.444 2.448
Start of MODEL 7
1 1H5* G 1 1H5* G 1 -3.922 -10.371 -1.189
2 2H5* G 1 2H5* G 1 -2.446 -10.645 -2.113
3 H4* G 1 H4* G 1 -3.738 -12.652 -0.253
4 H3* G 1 H3* G 1 -1.320 -10.872 0.129
5 H2* G 1 H2* G 1 -0.378 -12.584 1.497
6 2HO* G 1 2HO* G 1 -1.587 -14.322 2.205
7 H1* G 1 H1* G 1 -1.071 -14.613 -0.209
8 H8 G 1 H8 G 1 -0.087 -11.706 -2.374
9 H1 G 1 H1 G 1 4.959 -14.679 0.192
10 1H2 G 1 1H2 G 1 4.299 -16.089 1.764
11 2H2 G 1 2H2 G 1 2.612 -16.304 2.176
12 1H5* G 2 1H5* G 2 -2.253 -12.273 4.070
13 2H5* G 2 2H5* G 2 -1.820 -11.003 5.247
14 H4* G 2 H4* G 2 -0.646 -13.283 5.465
15 H3* G 2 H3* G 2 1.006 -10.756 5.195
16 H2* G 2 H2* G 2 2.932 -12.104 5.641
17 2HO* G 2 2HO* G 2 2.630 -14.331 6.249
18 H1* G 2 H1* G 2 2.024 -14.227 4.063
19 H8 G 2 H8 G 2 1.272 -11.409 1.848
20 H1 G 2 H1 G 2 7.595 -12.152 2.487
21 1H2 G 2 1H2 G 2 8.042 -13.493 4.186
22 2H2 G 2 2H2 G 2 6.782 -14.207 5.168
23 1H5* A 3 1H5* A 3 2.491 -12.748 8.657
24 2H5* A 3 2H5* A 3 2.419 -11.568 9.991
25 H4* A 3 H4* A 3 4.576 -12.647 10.030
26 H3* A 3 H3* A 3 4.771 -9.862 8.867
27 H2* A 3 H2* A 3 7.169 -10.136 8.929
28 2HO* A 3 2HO* A 3 6.596 -12.615 10.261
29 H1* A 3 H1* A 3 7.045 -12.668 7.849
30 H8 A 3 H8 A 3 4.321 -10.716 6.153
31 1H6 A 3 1H6 A 3 8.693 -8.340 2.474
32 2H6 A 3 2H6 A 3 6.972 -8.511 2.737
33 H2 A 3 H2 A 3 10.707 -10.508 5.849
34 1H5* G 4 1H5* G 4 7.639 -10.112 11.688
35 2H5* G 4 2H5* G 4 7.621 -8.732 12.814
36 H4* G 4 H4* G 4 9.869 -9.092 11.958
37 H3* G 4 H3* G 4 8.549 -6.659 10.734
38 H2* G 4 H2* G 4 10.677 -6.151 9.750
39 2HO* G 4 2HO* G 4 12.518 -7.410 10.312
40 H1* G 4 H1* G 4 11.134 -8.789 9.012
41 H8 G 4 H8 G 4 7.480 -8.071 8.456
42 H1 G 4 H1 G 4 11.239 -5.650 3.867
43 1H2 G 4 1H2 G 4 13.361 -5.749 4.486
44 2H2 G 4 2H2 G 4 13.850 -6.423 6.023
45 1H5* G 5 1H5* G 5 12.033 -5.190 12.834
46 2H5* G 5 2H5* G 5 11.708 -3.594 13.561
47 H4* G 5 H4* G 5 13.710 -3.595 12.098
48 H3* G 5 H3* G 5 11.359 -1.964 11.102
49 H2* G 5 H2* G 5 12.746 -1.186 9.329
50 2HO* G 5 2HO* G 5 15.007 -1.699 9.338
51 H1* G 5 H1* G 5 13.924 -3.667 8.885
52 H8 G 5 H8 G 5 10.242 -4.244 9.468
53 H1 G 5 H1 G 5 11.532 -1.990 3.617
54 1H2 G 5 1H2 G 5 13.635 -1.307 3.519
55 2H2 G 5 2H2 G 5 14.718 -1.407 4.887
56 1H5* A 6 1H5* A 6 14.633 0.748 10.940
57 2H5* A 6 2H5* A 6 14.036 2.397 11.267
58 H4* A 6 H4* A 6 15.110 1.927 8.965
59 H3* A 6 H3* A 6 12.356 3.159 9.204
60 H2* A 6 H2* A 6 12.283 3.357 6.847
61 2HO* A 6 2HO* A 6 14.171 3.126 5.586
62 H1* A 6 H1* A 6 13.670 0.960 6.359
63 H8 A 6 H8 A 6 10.874 0.431 8.888
64 1H6 A 6 1H6 A 6 7.116 -0.290 3.974
65 2H6 A 6 2H6 A 6 7.239 -0.445 5.719
66 H2 A 6 H2 A 6 11.074 1.227 2.555
67 1H5* C 7 1H5* C 7 14.429 5.646 6.456
68 2H5* C 7 2H5* C 7 13.804 7.312 6.572
69 H4* C 7 H4* C 7 13.450 6.165 4.342
70 H3* C 7 H3* C 7 11.057 7.139 5.900
71 H2* C 7 H2* C 7 9.627 6.468 4.109
72 2HO* C 7 2HO* C 7 10.607 5.733 2.115
73 H1* C 7 H1* C 7 11.000 4.101 3.600
74 1H4 C 7 1H4 C 7 6.197 2.300 7.338
75 2H4 C 7 2H4 C 7 6.977 2.972 8.756
76 H5 C 7 H5 C 7 9.097 4.229 8.638
77 H6 C 7 H6 C 7 10.804 5.049 7.126
78 1H5* A 8 1H5* A 8 10.804 9.049 2.122
79 2H5* A 8 2H5* A 8 10.398 10.784 2.215
80 H4* A 8 H4* A 8 8.907 9.479 0.690
81 H3* A 8 H3* A 8 7.709 10.857 3.089
82 H2* A 8 H2* A 8 5.536 10.018 2.550
83 2HO* A 8 2HO* A 8 5.249 8.805 0.588
84 H1* A 8 H1* A 8 6.312 7.504 2.053
85 H8 A 8 H8 A 8 8.751 8.034 4.654
86 1H6 A 8 1H6 A 8 4.242 7.995 8.891
87 2H6 A 8 2H6 A 8 5.969 7.892 8.636
88 H2 A 8 H2 A 8 2.384 8.473 4.846
89 1H5* U 9 1H5* U 9 5.141 11.312 0.381
90 2H5* U 9 2H5* U 9 4.536 12.929 -0.048
91 H4* U 9 H4* U 9 2.777 11.178 0.535
92 H3* U 9 H3* U 9 2.852 13.936 1.414
93 H2* U 9 H2* U 9 2.445 13.539 3.711
94 2HO* U 9 2HO* U 9 0.403 12.781 4.232
95 H1* U 9 H1* U 9 1.693 10.730 3.515
96 H3 U 9 H3 U 9 2.637 11.581 7.918
97 H5 U 9 H5 U 9 6.329 11.508 5.916
98 H6 U 9 H6 U 9 5.129 11.458 3.829
99 1H5* U 10 1H5* U 10 -0.608 11.407 0.103
100 2H5* U 10 2H5* U 10 -1.643 11.347 -1.346
101 H4* U 10 H4* U 10 -3.059 11.969 0.474
102 H3* U 10 H3* U 10 -2.750 13.822 -1.648
103 H2* U 10 H2* U 10 -1.479 15.352 -0.345
104 2HO* U 10 2HO* U 10 -2.857 16.954 0.498
105 H1* U 10 H1* U 10 -3.192 14.609 2.035
106 H3 U 10 H3 U 10 -1.000 17.379 4.845
107 H5 U 10 H5 U 10 2.026 16.080 2.213
108 H6 U 10 H6 U 10 0.367 14.791 1.058
109 1H5* C 11 1H5* C 11 -8.308 14.424 -0.123
110 2H5* C 11 2H5* C 11 -6.705 14.437 0.664
111 H4* C 11 H4* C 11 -8.490 12.014 0.296
112 H3* C 11 H3* C 11 -8.619 13.960 2.393
113 H2* C 11 H2* C 11 -6.692 13.191 3.489
114 2HO* C 11 2HO* C 11 -8.482 11.122 4.235
115 H1* C 11 H1* C 11 -7.250 10.403 2.455
116 1H4 C 11 1H4 C 11 -1.294 9.240 4.391
117 2H4 C 11 2H4 C 11 -0.864 10.932 4.297
118 H5 C 11 H5 C 11 -2.444 12.670 3.575
119 H6 C 11 H6 C 11 -4.693 13.085 2.809
120 1H5* C 12 1H5* C 12 -11.248 10.040 2.495
121 2H5* C 12 2H5* C 12 -12.640 10.415 1.439
122 H4* C 12 H4* C 12 -14.046 9.463 2.885
123 H3* C 12 H3* C 12 -13.689 11.709 4.357
124 H2* C 12 H2* C 12 -11.669 11.000 5.411
125 2HO* C 12 2HO* C 12 -12.221 10.311 7.552
126 H1* C 12 H1* C 12 -12.846 8.269 5.983
127 1H4 C 12 1H4 C 12 -6.727 6.831 6.972
128 2H4 C 12 2H4 C 12 -6.191 8.034 5.823
129 H5 C 12 H5 C 12 -7.745 9.479 4.580
130 H6 C 12 H6 C 12 -10.076 10.007 4.236
131 1H5* U 13 1H5* U 13 -17.871 8.934 2.749
132 2H5* U 13 2H5* U 13 -16.402 8.257 3.483
133 H4* U 13 H4* U 13 -16.071 9.388 0.777
134 H3* U 13 H3* U 13 -18.299 7.953 0.735
135 H2* U 13 H2* U 13 -17.413 6.257 2.244
136 2HO* U 13 2HO* U 13 -18.384 5.281 0.331
137 H1* U 13 H1* U 13 -15.039 5.961 0.405
138 H3 U 13 H3 U 13 -13.967 2.614 3.433
139 H5 U 13 H5 U 13 -13.904 6.230 5.615
140 H6 U 13 H6 U 13 -14.832 7.321 3.708
141 1H5* C 14 1H5* C 14 -14.214 7.644 -2.598
142 2H5* C 14 2H5* C 14 -13.995 7.257 -0.872
143 H4* C 14 H4* C 14 -12.494 9.462 -2.329
144 H3* C 14 H3* C 14 -11.724 6.586 -1.818
145 H2* C 14 H2* C 14 -9.497 7.211 -1.289
146 2HO* C 14 2HO* C 14 -8.707 9.282 -1.796
147 H1* C 14 H1* C 14 -10.145 9.546 0.060
148 1H4 C 14 1H4 C 14 -9.340 5.207 4.661
149 2H4 C 14 2H4 C 14 -10.963 4.616 4.402
150 H5 C 14 H5 C 14 -12.399 5.425 2.602
151 H6 C 14 H6 C 14 -12.539 6.939 0.726
152 1H5* A 15 1H5* A 15 -8.436 7.200 -3.553
153 2H5* A 15 2H5* A 15 -8.332 6.287 -5.081
154 H4* A 15 H4* A 15 -6.413 5.673 -3.834
155 H3* A 15 H3* A 15 -8.568 3.576 -3.589
156 H2* A 15 H2* A 15 -7.186 2.255 -2.150
157 2HO* A 15 2HO* A 15 -4.992 2.851 -1.816
158 H1* A 15 H1* A 15 -6.331 4.359 -0.621
159 H8 A 15 H8 A 15 -9.854 4.549 -1.998
160 1H6 A 15 1H6 A 15 -11.515 2.135 3.548
161 2H6 A 15 2H6 A 15 -12.155 2.798 2.056
162 H2 A 15 H2 A 15 -7.028 2.243 3.156
163 1H5* C 16 1H5* C 16 -5.021 1.510 -4.999
164 2H5* C 16 2H5* C 16 -5.444 0.212 -6.150
165 H4* C 16 H4* C 16 -4.112 -0.595 -4.222
166 H3* C 16 H3* C 16 -6.966 -1.598 -4.371
167 H2* C 16 H2* C 16 -6.448 -3.052 -2.537
168 2HO* C 16 2HO* C 16 -4.307 -3.269 -1.807
169 H1* C 16 H1* C 16 -5.053 -1.094 -1.161
170 1H4 C 16 1H4 C 16 -10.944 -0.880 1.242
171 2H4 C 16 2H4 C 16 -11.475 0.131 -0.085
172 H5 C 16 H5 C 16 -10.035 0.690 -1.992
173 H6 C 16 H6 C 16 -7.840 0.378 -2.955
174 1H5* G 17 1H5* G 17 -4.387 -5.000 -4.314
175 2H5* G 17 2H5* G 17 -4.897 -6.201 -5.529
176 H4* G 17 H4* G 17 -4.559 -7.306 -3.403
177 H3* G 17 H3* G 17 -7.492 -6.972 -4.075
178 H2* G 17 H2* G 17 -8.002 -8.290 -2.132
179 2HO* G 17 2HO* G 17 -6.240 -9.171 -0.896
180 H1* G 17 H1* G 17 -6.264 -6.907 -0.529
181 H8 G 17 H8 G 17 -7.684 -4.470 -3.053
182 H1 G 17 H1 G 17 -11.645 -5.651 1.828
183 1H2 G 17 1H2 G 17 -10.909 -7.364 3.024
184 2H2 G 17 2H2 G 17 -9.430 -8.209 2.622
185 1H5* G 18 1H5* G 18 -6.907 -11.117 -3.408
186 2H5* G 18 2H5* G 18 -7.925 -12.112 -4.484
187 H4* G 18 H4* G 18 -8.287 -12.591 -2.075
188 H3* G 18 H3* G 18 -10.624 -11.302 -3.493
189 H2* G 18 H2* G 18 -11.927 -11.740 -1.512
190 2HO* G 18 2HO* G 18 -11.104 -13.751 -0.851
191 H1* G 18 H1* G 18 -9.943 -10.791 0.141
192 H8 G 18 H8 G 18 -9.911 -8.685 -3.009
193 H1 G 18 H1 G 18 -14.585 -7.089 1.055
194 1H2 G 18 1H2 G 18 -14.754 -8.605 2.657
195 2H2 G 18 2H2 G 18 -13.712 -10.006 2.727
196 1H5* G 19 1H5* G 19 -12.560 -16.563 -2.695
197 2H5* G 19 2H5* G 19 -12.682 -14.946 -3.439
198 H4* G 19 H4* G 19 -13.838 -15.935 -0.830
199 H3* G 19 H3* G 19 -14.977 -14.482 -3.232
200 H2* G 19 H2* G 19 -16.713 -13.639 -1.800
201 2HO* G 19 2HO* G 19 -16.845 -14.352 0.365
202 H1* G 19 H1* G 19 -14.971 -12.913 0.177
203 H8 G 19 H8 G 19 -13.482 -12.574 -3.352
204 H1 G 19 H1 G 19 -16.791 -7.468 -1.379
205 1H2 G 19 1H2 G 19 -17.826 -7.917 0.516
206 2H2 G 19 2H2 G 19 -17.696 -9.470 1.308
207 1H5* U 20 1H5* U 20 -16.864 -13.952 -5.353
208 2H5* U 20 2H5* U 20 -16.949 -14.597 -3.695
209 H4* U 20 H4* U 20 -18.445 -15.800 -6.034
210 H3* U 20 H3* U 20 -19.374 -13.765 -3.991
211 H2* U 20 H2* U 20 -21.530 -14.764 -4.028
212 2HO* U 20 2HO* U 20 -21.547 -15.039 -6.387
213 H1* U 20 H1* U 20 -20.551 -17.381 -4.196
214 H3 U 20 H3 U 20 -22.575 -17.123 -0.134
215 H5 U 20 H5 U 20 -18.916 -15.115 0.391
216 H6 U 20 H6 U 20 -18.543 -15.303 -1.993
217 1H5* G 21 1H5* G 21 -19.889 -9.679 -3.974
218 2H5* G 21 2H5* G 21 -19.266 -11.184 -3.242
219 H4* G 21 H4* G 21 -22.209 -10.534 -3.255
220 H3* G 21 H3* G 21 -20.147 -9.637 -1.234
221 H2* G 21 H2* G 21 -21.775 -9.979 0.487
222 2HO* G 21 2HO* G 21 -23.587 -10.510 -1.661
223 H1* G 21 H1* G 21 -22.527 -12.410 -0.406
224 H8 G 21 H8 G 21 -18.826 -11.812 -1.147
225 H1 G 21 H1 G 21 -19.987 -14.046 4.727
226 1H2 G 21 1H2 G 21 -22.163 -14.054 5.129
227 2H2 G 21 2H2 G 21 -23.330 -13.502 3.950
228 1H5* A 22 1H5* A 22 -23.571 -6.916 -0.564
229 2H5* A 22 2H5* A 22 -23.080 -5.536 0.456
230 H4* A 22 H4* A 22 -24.708 -7.265 1.465
231 H3* A 22 H3* A 22 -22.143 -6.513 2.878
232 H2* A 22 H2* A 22 -22.848 -7.883 4.729
233 2HO* A 22 2HO* A 22 -25.121 -7.383 4.634
234 H1* A 22 H1* A 22 -23.572 -9.967 3.113
235 H8 A 22 H8 A 22 -20.650 -8.667 1.275
236 1H6 A 22 1H6 A 22 -16.992 -11.359 5.454
237 2H6 A 22 2H6 A 22 -17.056 -10.582 3.888
238 H2 A 22 H2 A 22 -21.170 -11.375 7.033
239 1H5* C 23 1H5* C 23 -21.346 -4.293 5.769
240 2H5* C 23 2H5* C 23 -21.398 -5.048 4.162
241 H4* C 23 H4* C 23 -20.882 -6.862 6.438
242 H3* C 23 H3* C 23 -18.882 -4.757 5.597
243 H2* C 23 H2* C 23 -17.134 -6.375 5.831
244 2HO* C 23 2HO* C 23 -17.673 -8.497 6.608
245 H1* C 23 H1* C 23 -18.464 -8.315 4.476
246 1H4 C 23 1H4 C 23 -15.325 -5.028 -0.003
247 2H4 C 23 2H4 C 23 -16.677 -3.927 -0.162
248 H5 C 23 H5 C 23 -18.641 -4.008 1.311
249 H6 C 23 H6 C 23 -19.664 -5.166 3.179
250 1H5* C 24 1H5* C 24 -17.320 -6.814 9.000
251 2H5* C 24 2H5* C 24 -16.294 -5.743 9.991
252 H4* C 24 H4* C 24 -15.151 -7.818 9.122
253 H3* C 24 H3* C 24 -14.051 -5.145 8.217
254 H2* C 24 H2* C 24 -12.217 -6.368 7.265
255 2HO* C 24 2HO* C 24 -13.363 -8.649 8.564
256 H1* C 24 H1* C 24 -13.865 -8.322 6.196
257 1H4 C 24 1H4 C 24 -12.982 -4.048 1.528
258 2H4 C 24 2H4 C 24 -14.270 -3.058 2.172
259 H5 C 24 H5 C 24 -15.418 -3.562 4.276
260 H6 C 24 H6 C 24 -15.542 -5.106 6.125
261 1H5* G 25 1H5* G 25 -10.902 -7.253 9.977
262 2H5* G 25 2H5* G 25 -9.747 -6.203 10.836
263 H4* G 25 H4* G 25 -8.679 -7.591 9.072
264 H3* G 25 H3* G 25 -8.684 -4.601 8.590
265 H2* G 25 H2* G 25 -7.304 -4.999 6.668
266 2HO* G 25 2HO* G 25 -6.511 -7.088 6.237
267 H1* G 25 H1* G 25 -8.852 -7.056 5.756
268 H8 G 25 H8 G 25 -11.325 -4.711 7.309
269 H1 G 25 H1 G 25 -9.072 -2.539 1.728
270 1H2 G 25 1H2 G 25 -7.321 -3.732 1.101
271 2H2 G 25 2H2 G 25 -6.711 -5.068 2.051
272 1H5* U 26 1H5* U 26 -4.983 -5.343 7.724
273 2H5* U 26 2H5* U 26 -3.835 -4.178 8.437
274 H4* U 26 H4* U 26 -3.839 -4.294 5.907
275 H3* U 26 H3* U 26 -4.532 -1.664 7.235
276 H2* U 26 H2* U 26 -4.587 -0.662 5.079
277 2HO* U 26 2HO* U 26 -3.712 -1.702 3.274
278 H1* U 26 H1* U 26 -5.715 -2.920 3.829
279 H3 U 26 H3 U 26 -8.563 0.678 3.464
280 H5 U 26 H5 U 26 -9.477 -1.141 7.143
281 H6 U 26 H6 U 26 -7.494 -2.513 6.882
282 1H5* G 27 1H5* G 27 -1.346 -1.319 4.354
283 2H5* G 27 2H5* G 27 -0.087 -0.171 4.876
284 H4* G 27 H4* G 27 -1.240 0.072 2.515
285 H3* G 27 H3* G 27 0.206 1.893 3.986
286 H2* G 27 H2* G 27 -1.705 2.717 5.162
287 2HO* G 27 2HO* G 27 -1.779 4.392 2.875
288 H1* G 27 H1* G 27 -3.171 2.726 2.502
289 H8 G 27 H8 G 27 -4.016 1.302 5.990
290 H1 G 27 H1 G 27 -7.916 5.924 3.911
291 1H2 G 27 1H2 G 27 -7.172 6.760 2.001
292 2H2 G 27 2H2 G 27 -5.714 6.166 1.239
293 1H5* G 28 1H5* G 28 -0.344 3.923 -0.243
294 2H5* G 28 2H5* G 28 0.430 3.025 -1.570
295 H4* G 28 H4* G 28 1.082 5.284 -1.858
296 H3* G 28 H3* G 28 3.220 3.540 -0.735
297 H2* G 28 H2* G 28 4.627 5.277 0.011
298 2HO* G 28 2HO* G 28 4.384 7.406 -0.727
299 H1* G 28 H1* G 28 2.805 6.973 0.966
300 H8 G 28 H8 G 28 0.862 4.293 2.150
301 H1 G 28 H1 G 28 6.602 3.988 4.890
302 1H2 G 28 1H2 G 28 8.039 5.232 3.787
303 2H2 G 28 2H2 G 28 7.587 6.152 2.372
304 1H5* U 29 1H5* U 29 5.801 6.003 -2.520
305 2H5* U 29 2H5* U 29 6.793 5.115 -3.707
306 H4* U 29 H4* U 29 8.132 6.317 -1.963
307 H3* U 29 H3* U 29 8.311 3.296 -2.093
308 H2* U 29 H2* U 29 9.971 3.350 -0.345
309 2HO* U 29 2HO* U 29 10.672 5.353 0.492
310 H1* U 29 H1* U 29 8.417 4.811 1.295
311 H3 U 29 H3 U 29 8.213 0.179 1.804
312 H5 U 29 H5 U 29 4.561 1.571 0.262
313 H6 U 29 H6 U 29 5.631 3.687 -0.174
314 1H5* C 30 1H5* C 30 12.774 3.749 -3.156
315 2H5* C 30 2H5* C 30 12.905 2.350 -4.257
316 H4* C 30 H4* C 30 14.305 2.388 -2.053
317 H3* C 30 H3* C 30 12.592 -0.015 -2.755
318 H2* C 30 H2* C 30 13.681 -1.117 -0.929
319 2HO* C 30 2HO* C 30 15.457 -0.143 0.108
320 H1* C 30 H1* C 30 13.538 1.150 0.688
321 1H4 C 30 1H4 C 30 8.692 -2.582 2.429
322 2H4 C 30 2H4 C 30 7.715 -1.987 1.101
323 H5 C 30 H5 C 30 8.591 -0.456 -0.620
324 H6 C 30 H6 C 30 10.561 0.764 -1.341
325 1H5* C 31 1H5* C 31 16.910 -1.465 -2.290
326 2H5* C 31 2H5* C 31 16.877 -3.107 -2.987
327 H4* C 31 H4* C 31 17.445 -2.777 -0.447
328 H3* C 31 H3* C 31 15.355 -4.792 -1.313
329 H2* C 31 H2* C 31 15.453 -5.574 0.967
330 2HO* C 31 2HO* C 31 17.007 -4.653 2.404
331 H1* C 31 H1* C 31 15.463 -2.969 1.972
332 1H4 C 31 1H4 C 31 9.408 -4.975 2.182
333 2H4 C 31 2H4 C 31 9.177 -4.510 0.511
334 H5 C 31 H5 C 31 11.008 -3.677 -0.912
335 H6 C 31 H6 C 31 13.373 -3.172 -0.968
336 1H5* U 32 1H5* U 32 17.836 -6.799 1.171
337 2H5* U 32 2H5* U 32 18.462 -8.244 0.348
338 H4* U 32 H4* U 32 17.731 -8.928 2.508
339 H3* U 32 H3* U 32 15.600 -9.638 0.484
340 H2* U 32 H2* U 32 14.509 -10.818 2.255
341 2HO* U 32 2HO* U 32 15.538 -11.074 4.274
342 H1* U 32 H1* U 32 14.916 -8.810 4.079
343 H3 U 32 H3 U 32 10.488 -8.907 3.062
344 H5 U 32 H5 U 32 12.252 -6.652 -0.012
345 H6 U 32 H6 U 32 14.439 -7.296 0.861
346 1H5* C 33 1H5* C 33 16.600 -13.007 2.856
347 2H5* C 33 2H5* C 33 16.565 -14.509 1.899
348 H4* C 33 H4* C 33 15.171 -14.637 3.952
349 H3* C 33 H3* C 33 13.636 -14.697 1.342
350 H2* C 33 H2* C 33 11.696 -15.205 2.633
351 2HO* C 33 2HO* C 33 11.876 -15.627 4.877
352 H1* C 33 H1* C 33 12.276 -13.344 4.593
353 1H4 C 33 1H4 C 33 8.297 -10.465 0.509
354 2H4 C 33 2H4 C 33 9.652 -9.977 -0.486
355 H5 C 33 H5 C 33 11.964 -10.709 -0.051
356 H6 C 33 H6 C 33 13.356 -12.040 1.408
357 1H5* C 34 1H5* C 34 12.491 -17.999 3.859
358 2H5* C 34 2H5* C 34 12.210 -19.433 2.845
359 H4* C 34 H4* C 34 10.318 -18.823 4.396
360 H3* C 34 H3* C 34 9.790 -18.849 1.414
361 H2* C 34 H2* C 34 7.479 -18.479 1.891
362 2HO* C 34 2HO* C 34 6.718 -18.598 4.052
363 H1* C 34 H1* C 34 7.980 -16.634 3.915
364 1H4 C 34 1H4 C 34 6.845 -13.272 -1.400
365 2H4 C 34 2H4 C 34 8.556 -13.286 -1.773
366 H5 C 34 H5 C 34 10.196 -14.582 -0.475
367 H6 C 34 H6 C 34 10.472 -16.074 1.404
Start of MODEL 8
1 1H5* G 1 1H5* G 1 -3.815 -10.042 3.579
2 2H5* G 1 2H5* G 1 -2.638 -10.459 2.333
3 H4* G 1 H4* G 1 -3.570 -12.304 4.544
4 H3* G 1 H3* G 1 -1.017 -10.707 4.240
5 H2* G 1 H2* G 1 0.128 -12.455 5.394
6 2HO* G 1 2HO* G 1 -1.045 -14.189 6.317
7 H1* G 1 H1* G 1 -1.073 -14.460 3.981
8 H8 G 1 H8 G 1 -0.572 -11.660 1.535
9 H1 G 1 H1 G 1 4.859 -14.779 2.826
10 1H2 G 1 1H2 G 1 4.581 -16.116 4.564
11 2H2 G 1 2H2 G 1 3.050 -16.251 5.403
12 1H5* G 2 1H5* G 2 -1.019 -11.919 8.359
13 2H5* G 2 2H5* G 2 -0.299 -10.612 9.338
14 H4* G 2 H4* G 2 0.842 -12.884 9.478
15 H3* G 2 H3* G 2 2.456 -10.495 8.544
16 H2* G 2 H2* G 2 4.386 -11.901 8.596
17 2HO* G 2 2HO* G 2 4.362 -13.893 9.613
18 H1* G 2 H1* G 2 3.050 -14.099 7.524
19 H8 G 2 H8 G 2 1.805 -11.362 5.387
20 H1 G 2 H1 G 2 7.974 -12.573 4.216
21 1H2 G 2 1H2 G 2 8.831 -13.824 5.826
22 2H2 G 2 2H2 G 2 7.879 -14.372 7.188
23 1H5* A 3 1H5* A 3 4.751 -11.992 12.138
24 2H5* A 3 2H5* A 3 5.105 -10.480 13.017
25 H4* A 3 H4* A 3 7.138 -11.812 12.713
26 H3* A 3 H3* A 3 7.060 -9.320 10.993
27 H2* A 3 H2* A 3 9.358 -9.791 10.417
28 2HO* A 3 2HO* A 3 10.391 -11.614 11.391
29 H1* A 3 H1* A 3 8.824 -12.417 9.866
30 H8 A 3 H8 A 3 5.711 -10.552 8.871
31 1H6 A 3 1H6 A 3 8.643 -9.025 3.642
32 2H6 A 3 2H6 A 3 7.104 -9.039 4.474
33 H2 A 3 H2 A 3 11.619 -10.833 6.474
34 1H5* G 4 1H5* G 4 10.615 -8.905 13.191
35 2H5* G 4 2H5* G 4 10.855 -7.228 13.740
36 H4* G 4 H4* G 4 12.798 -8.086 12.477
37 H3* G 4 H3* G 4 11.239 -5.906 11.063
38 H2* G 4 H2* G 4 12.984 -5.887 9.407
39 2HO* G 4 2HO* G 4 14.776 -6.261 10.843
40 H1* G 4 H1* G 4 13.000 -8.613 9.172
41 H8 G 4 H8 G 4 9.423 -7.817 9.881
42 H1 G 4 H1 G 4 11.152 -6.227 3.941
43 1H2 G 4 1H2 G 4 13.352 -6.299 3.741
44 2H2 G 4 2H2 G 4 14.392 -6.752 5.071
45 1H5* G 5 1H5* G 5 15.333 -4.035 11.124
46 2H5* G 5 2H5* G 5 14.959 -2.387 11.693
47 H4* G 5 H4* G 5 16.305 -2.470 9.577
48 H3* G 5 H3* G 5 13.548 -1.223 9.408
49 H2* G 5 H2* G 5 14.079 -0.578 7.155
50 2HO* G 5 2HO* G 5 16.205 -1.023 6.341
51 H1* G 5 H1* G 5 15.114 -3.038 6.511
52 H8 G 5 H8 G 5 12.300 -3.890 8.815
53 H1 G 5 H1 G 5 10.220 -1.965 3.081
54 1H2 G 5 1H2 G 5 11.877 -1.064 1.923
55 2H2 G 5 2H2 G 5 13.496 -0.927 2.571
56 1H5* A 6 1H5* A 6 16.622 1.775 7.926
57 2H5* A 6 2H5* A 6 15.951 3.383 8.307
58 H4* A 6 H4* A 6 16.608 2.909 5.862
59 H3* A 6 H3* A 6 13.813 3.860 6.540
60 H2* A 6 H2* A 6 13.420 4.041 4.184
61 2HO* A 6 2HO* A 6 15.133 3.710 2.707
62 H1* A 6 H1* A 6 14.586 1.624 3.617
63 H8 A 6 H8 A 6 12.734 1.211 6.886
64 1H6 A 6 1H6 A 6 7.585 0.461 3.553
65 2H6 A 6 2H6 A 6 8.296 0.339 5.144
66 H2 A 6 H2 A 6 10.837 1.865 0.803
67 1H5* C 7 1H5* C 7 15.299 6.353 3.428
68 2H5* C 7 2H5* C 7 14.607 7.990 3.569
69 H4* C 7 H4* C 7 14.120 6.778 1.400
70 H3* C 7 H3* C 7 11.754 7.571 3.108
71 H2* C 7 H2* C 7 10.370 6.953 1.228
72 2HO* C 7 2HO* C 7 11.390 6.264 -0.721
73 H1* C 7 H1* C 7 11.709 4.584 0.872
74 1H4 C 7 1H4 C 7 6.940 3.408 4.969
75 2H4 C 7 2H4 C 7 8.018 3.725 6.310
76 H5 C 7 H5 C 7 10.305 4.565 6.009
77 H6 C 7 H6 C 7 11.939 5.248 4.370
78 1H5* A 8 1H5* A 8 10.835 9.536 -0.639
79 2H5* A 8 2H5* A 8 10.065 11.090 -0.217
80 H4* A 8 H4* A 8 8.689 9.540 -1.677
81 H3* A 8 H3* A 8 7.561 10.361 1.014
82 H2* A 8 H2* A 8 5.509 9.286 0.336
83 2HO* A 8 2HO* A 8 5.446 8.278 -1.762
84 H1* A 8 H1* A 8 6.769 7.028 -0.427
85 H8 A 8 H8 A 8 9.075 7.598 2.276
86 1H6 A 8 1H6 A 8 4.617 6.573 6.424
87 2H6 A 8 2H6 A 8 6.341 6.710 6.173
88 H2 A 8 H2 A 8 2.699 7.240 2.439
89 1H5* U 9 1H5* U 9 4.764 10.766 -1.340
90 2H5* U 9 2H5* U 9 4.121 12.394 -1.679
91 H4* U 9 H4* U 9 2.313 10.788 -1.445
92 H3* U 9 H3* U 9 2.526 12.989 0.521
93 H2* U 9 H2* U 9 1.185 11.993 2.137
94 2HO* U 9 2HO* U 9 -0.546 10.712 1.709
95 H1* U 9 H1* U 9 1.479 9.319 1.613
96 H3 U 9 H3 U 9 2.664 10.598 5.936
97 H5 U 9 H5 U 9 6.168 10.567 3.620
98 H6 U 9 H6 U 9 4.769 10.354 1.644
99 1H5* U 10 1H5* U 10 -2.360 12.538 1.430
100 2H5* U 10 2H5* U 10 -2.547 13.897 0.295
101 H4* U 10 H4* U 10 -3.295 14.145 2.817
102 H3* U 10 H3* U 10 -2.686 16.112 0.957
103 H2* U 10 H2* U 10 -0.348 16.096 1.558
104 2HO* U 10 2HO* U 10 -1.564 18.081 3.183
105 H1* U 10 H1* U 10 -1.267 16.093 4.436
106 H3 U 10 H3 U 10 2.807 15.924 6.313
107 H5 U 10 H5 U 10 3.419 14.039 2.602
108 H6 U 10 H6 U 10 1.096 14.441 2.082
109 1H5* C 11 1H5* C 11 -6.931 16.131 3.996
110 2H5* C 11 2H5* C 11 -5.503 15.110 4.322
111 H4* C 11 H4* C 11 -7.806 14.273 2.543
112 H3* C 11 H3* C 11 -8.130 14.457 5.279
113 H2* C 11 H2* C 11 -6.327 13.024 5.829
114 2HO* C 11 2HO* C 11 -7.281 10.804 5.996
115 H1* C 11 H1* C 11 -7.103 11.185 3.564
116 1H4 C 11 1H4 C 11 -1.505 8.588 5.168
117 2H4 C 11 2H4 C 11 -0.713 10.144 5.102
118 H5 C 11 H5 C 11 -1.925 12.239 4.659
119 H6 C 11 H6 C 11 -4.090 13.190 4.199
120 1H5* C 12 1H5* C 12 -11.049 10.971 4.484
121 2H5* C 12 2H5* C 12 -12.292 11.807 3.509
122 H4* C 12 H4* C 12 -13.820 10.686 4.700
123 H3* C 12 H3* C 12 -13.520 12.938 6.218
124 H2* C 12 H2* C 12 -11.765 12.056 7.583
125 2HO* C 12 2HO* C 12 -13.483 12.715 8.985
126 H1* C 12 H1* C 12 -13.294 9.452 7.876
127 1H4 C 12 1H4 C 12 -7.719 7.612 10.350
128 2H4 C 12 2H4 C 12 -6.827 8.403 9.072
129 H5 C 12 H5 C 12 -7.918 9.705 7.294
130 H6 C 12 H6 C 12 -10.040 10.471 6.445
131 1H5* U 13 1H5* U 13 -17.304 8.799 5.640
132 2H5* U 13 2H5* U 13 -15.663 9.437 5.908
133 H4* U 13 H4* U 13 -16.045 10.375 3.461
134 H3* U 13 H3* U 13 -18.359 9.117 3.349
135 H2* U 13 H2* U 13 -17.523 7.097 4.414
136 2HO* U 13 2HO* U 13 -17.434 5.494 2.707
137 H1* U 13 H1* U 13 -15.296 6.919 2.394
138 H3 U 13 H3 U 13 -13.962 3.235 4.758
139 H5 U 13 H5 U 13 -14.169 6.327 7.625
140 H6 U 13 H6 U 13 -15.124 7.727 5.940
141 1H5* C 14 1H5* C 14 -14.706 9.173 -0.414
142 2H5* C 14 2H5* C 14 -14.339 8.499 1.194
143 H4* C 14 H4* C 14 -12.814 10.757 -0.155
144 H3* C 14 H3* C 14 -12.196 7.809 0.112
145 H2* C 14 H2* C 14 -9.890 8.294 0.427
146 2HO* C 14 2HO* C 14 -9.054 10.357 -0.025
147 H1* C 14 H1* C 14 -10.290 10.549 1.987
148 1H4 C 14 1H4 C 14 -9.213 5.795 6.108
149 2H4 C 14 2H4 C 14 -10.915 5.407 6.098
150 H5 C 14 H5 C 14 -12.516 6.502 4.612
151 H6 C 14 H6 C 14 -12.772 8.148 2.865
152 1H5* A 15 1H5* A 15 -9.137 8.560 -1.904
153 2H5* A 15 2H5* A 15 -9.037 7.662 -3.439
154 H4* A 15 H4* A 15 -7.048 7.174 -2.209
155 H3* A 15 H3* A 15 -9.049 4.920 -2.056
156 H2* A 15 H2* A 15 -7.540 3.632 -0.711
157 2HO* A 15 2HO* A 15 -5.392 4.386 -0.378
158 H1* A 15 H1* A 15 -6.820 5.728 0.906
159 H8 A 15 H8 A 15 -10.408 5.903 -0.252
160 1H6 A 15 1H6 A 15 -11.695 2.591 4.890
161 2H6 A 15 2H6 A 15 -12.417 3.464 3.553
162 H2 A 15 H2 A 15 -7.231 2.898 4.336
163 1H5* C 16 1H5* C 16 -5.458 3.127 -3.422
164 2H5* C 16 2H5* C 16 -5.755 1.928 -4.713
165 H4* C 16 H4* C 16 -4.492 1.081 -2.694
166 H3* C 16 H3* C 16 -7.124 -0.206 -3.446
167 H2* C 16 H2* C 16 -6.761 -1.817 -1.719
168 2HO* C 16 2HO* C 16 -4.753 -1.881 -0.611
169 H1* C 16 H1* C 16 -5.850 0.049 0.107
170 1H4 C 16 1H4 C 16 -12.101 -0.816 1.170
171 2H4 C 16 2H4 C 16 -12.423 0.662 0.287
172 H5 C 16 H5 C 16 -10.676 1.894 -0.934
173 H6 C 16 H6 C 16 -8.332 1.915 -1.509
174 1H5* G 17 1H5* G 17 -4.013 -3.168 -3.213
175 2H5* G 17 2H5* G 17 -4.147 -4.364 -4.528
176 H4* G 17 H4* G 17 -3.894 -5.464 -2.353
177 H3* G 17 H3* G 17 -6.641 -5.748 -3.590
178 H2* G 17 H2* G 17 -7.228 -7.228 -1.789
179 2HO* G 17 2HO* G 17 -5.613 -7.820 -0.249
180 H1* G 17 H1* G 17 -6.169 -5.597 0.142
181 H8 G 17 H8 G 17 -7.579 -3.405 -2.613
182 H1 G 17 H1 G 17 -12.027 -5.583 1.430
183 1H2 G 17 1H2 G 17 -11.168 -7.128 2.762
184 2H2 G 17 2H2 G 17 -9.493 -7.621 2.652
185 1H5* G 18 1H5* G 18 -5.451 -9.590 -2.620
186 2H5* G 18 2H5* G 18 -5.863 -10.773 -3.890
187 H4* G 18 H4* G 18 -6.766 -11.388 -1.659
188 H3* G 18 H3* G 18 -8.815 -10.680 -3.770
189 H2* G 18 H2* G 18 -10.519 -11.350 -2.234
190 2HO* G 18 2HO* G 18 -9.411 -13.245 -1.435
191 H1* G 18 H1* G 18 -9.242 -10.201 -0.028
192 H8 G 18 H8 G 18 -9.053 -7.876 -3.027
193 H1 G 18 H1 G 18 -14.652 -7.583 0.074
194 1H2 G 18 1H2 G 18 -14.803 -9.229 1.555
195 2H2 G 18 2H2 G 18 -13.519 -10.395 1.783
196 1H5* G 19 1H5* G 19 -11.117 -15.083 -5.407
197 2H5* G 19 2H5* G 19 -11.490 -13.401 -5.874
198 H4* G 19 H4* G 19 -12.723 -15.115 -3.732
199 H3* G 19 H3* G 19 -13.808 -13.268 -5.873
200 H2* G 19 H2* G 19 -15.800 -13.010 -4.554
201 2HO* G 19 2HO* G 19 -16.040 -14.230 -2.621
202 H1* G 19 H1* G 19 -14.430 -12.567 -2.238
203 H8 G 19 H8 G 19 -12.656 -11.291 -5.412
204 H1 G 19 H1 G 19 -16.663 -7.100 -2.719
205 1H2 G 19 1H2 G 19 -17.788 -8.062 -1.087
206 2H2 G 19 2H2 G 19 -17.548 -9.738 -0.648
207 1H5* U 20 1H5* U 20 -15.704 -12.685 -8.235
208 2H5* U 20 2H5* U 20 -15.668 -13.521 -6.667
209 H4* U 20 H4* U 20 -16.861 -14.706 -9.188
210 H3* U 20 H3* U 20 -18.211 -13.253 -6.895
211 H2* U 20 H2* U 20 -20.074 -14.697 -7.140
212 2HO* U 20 2HO* U 20 -20.121 -14.524 -9.495
213 H1* U 20 H1* U 20 -18.499 -16.943 -7.854
214 H3 U 20 H3 U 20 -20.383 -18.444 -4.072
215 H5 U 20 H5 U 20 -17.904 -15.349 -2.708
216 H6 U 20 H6 U 20 -17.418 -14.805 -5.094
217 1H5* G 21 1H5* G 21 -19.094 -9.691 -5.989
218 2H5* G 21 2H5* G 21 -18.487 -11.352 -5.743
219 H4* G 21 H4* G 21 -21.438 -10.950 -5.689
220 H3* G 21 H3* G 21 -19.607 -9.990 -3.485
221 H2* G 21 H2* G 21 -21.205 -10.773 -1.890
222 2HO* G 21 2HO* G 21 -23.136 -10.172 -2.961
223 H1* G 21 H1* G 21 -21.633 -13.151 -3.147
224 H8 G 21 H8 G 21 -18.029 -11.768 -3.276
225 H1 G 21 H1 G 21 -19.232 -15.708 1.609
226 1H2 G 21 1H2 G 21 -21.379 -16.236 1.659
227 2H2 G 21 2H2 G 21 -22.520 -15.608 0.492
228 1H5* A 22 1H5* A 22 -23.425 -8.150 -2.747
229 2H5* A 22 2H5* A 22 -23.322 -6.699 -1.713
230 H4* A 22 H4* A 22 -24.595 -8.592 -0.685
231 H3* A 22 H3* A 22 -22.029 -7.779 0.697
232 H2* A 22 H2* A 22 -22.655 -9.266 2.484
233 2HO* A 22 2HO* A 22 -24.974 -8.832 2.331
234 H1* A 22 H1* A 22 -23.254 -11.296 0.756
235 H8 A 22 H8 A 22 -20.393 -9.341 -0.758
236 1H6 A 22 1H6 A 22 -16.612 -12.628 2.852
237 2H6 A 22 2H6 A 22 -16.703 -11.497 1.520
238 H2 A 22 H2 A 22 -20.823 -13.430 4.125
239 1H5* C 23 1H5* C 23 -23.171 -7.409 3.376
240 2H5* C 23 2H5* C 23 -22.629 -6.201 4.564
241 H4* C 23 H4* C 23 -21.474 -8.482 4.602
242 H3* C 23 H3* C 23 -19.822 -5.974 4.247
243 H2* C 23 H2* C 23 -17.869 -7.351 4.459
244 2HO* C 23 2HO* C 23 -19.701 -9.466 5.084
245 H1* C 23 H1* C 23 -18.866 -9.325 2.800
246 1H4 C 23 1H4 C 23 -15.439 -5.401 -0.902
247 2H4 C 23 2H4 C 23 -16.860 -4.420 -1.183
248 H5 C 23 H5 C 23 -18.993 -4.804 -0.029
249 H6 C 23 H6 C 23 -20.144 -6.202 1.575
250 1H5* C 24 1H5* C 24 -18.313 -8.140 7.545
251 2H5* C 24 2H5* C 24 -17.664 -7.077 8.821
252 H4* C 24 H4* C 24 -16.019 -8.757 7.974
253 H3* C 24 H3* C 24 -15.356 -5.854 7.422
254 H2* C 24 H2* C 24 -13.211 -6.618 6.667
255 2HO* C 24 2HO* C 24 -12.621 -8.815 6.932
256 H1* C 24 H1* C 24 -14.293 -8.769 5.274
257 1H4 C 24 1H4 C 24 -13.605 -4.118 0.960
258 2H4 C 24 2H4 C 24 -15.080 -3.353 1.509
259 H5 C 24 H5 C 24 -16.357 -4.158 3.441
260 H6 C 24 H6 C 24 -16.449 -5.831 5.176
261 1H5* G 25 1H5* G 25 -12.193 -7.610 9.633
262 2H5* G 25 2H5* G 25 -11.426 -6.476 10.773
263 H4* G 25 H4* G 25 -9.831 -7.589 9.194
264 H3* G 25 H3* G 25 -10.111 -4.580 9.003
265 H2* G 25 H2* G 25 -8.329 -4.590 7.406
266 2HO* G 25 2HO* G 25 -7.196 -6.539 6.970
267 H1* G 25 H1* G 25 -9.320 -6.741 6.012
268 H8 G 25 H8 G 25 -12.407 -4.892 6.989
269 H1 G 25 H1 G 25 -9.136 -1.867 2.387
270 1H2 G 25 1H2 G 25 -7.112 -2.750 2.194
271 2H2 G 25 2H2 G 25 -6.574 -4.082 3.190
272 1H5* U 26 1H5* U 26 -6.075 -5.030 9.135
273 2H5* U 26 2H5* U 26 -5.300 -3.764 10.125
274 H4* U 26 H4* U 26 -4.642 -3.869 7.656
275 H3* U 26 H3* U 26 -5.754 -1.308 8.824
276 H2* U 26 H2* U 26 -5.343 -0.238 6.728
277 2HO* U 26 2HO* U 26 -3.916 -2.627 6.040
278 H1* U 26 H1* U 26 -6.169 -2.420 5.204
279 H3 U 26 H3 U 26 -9.018 1.211 4.761
280 H5 U 26 H5 U 26 -10.567 -1.161 7.873
281 H6 U 26 H6 U 26 -8.512 -2.441 7.831
282 1H5* G 27 1H5* G 27 -1.944 -0.959 6.841
283 2H5* G 27 2H5* G 27 -0.902 0.363 7.424
284 H4* G 27 H4* G 27 -1.882 0.096 4.872
285 H3* G 27 H3* G 27 -0.194 1.923 6.080
286 H2* G 27 H2* G 27 -1.887 3.351 6.883
287 2HO* G 27 2HO* G 27 -2.198 5.075 5.339
288 H1* G 27 H1* G 27 -3.470 3.005 4.339
289 H8 G 27 H8 G 27 -4.194 2.343 8.061
290 H1 G 27 H1 G 27 -7.796 6.879 5.373
291 1H2 G 27 1H2 G 27 -7.145 7.265 3.299
292 2H2 G 27 2H2 G 27 -5.816 6.390 2.569
293 1H5* G 28 1H5* G 28 -1.828 3.604 1.265
294 2H5* G 28 2H5* G 28 -2.472 2.209 0.360
295 H4* G 28 H4* G 28 -1.410 3.278 -1.348
296 H3* G 28 H3* G 28 0.661 1.543 -0.036
297 H2* G 28 H2* G 28 2.451 2.520 -1.231
298 2HO* G 28 2HO* G 28 2.008 4.034 -2.932
299 H1* G 28 H1* G 28 1.727 5.072 -0.933
300 H8 G 28 H8 G 28 0.422 3.518 2.234
301 H1 G 28 H1 G 28 6.759 4.307 2.309
302 1H2 G 28 1H2 G 28 7.500 4.810 0.290
303 2H2 G 28 2H2 G 28 6.429 4.961 -1.085
304 1H5* U 29 1H5* U 29 1.550 1.055 -4.119
305 2H5* U 29 2H5* U 29 1.928 -0.647 -4.503
306 H4* U 29 H4* U 29 3.766 0.928 -5.079
307 H3* U 29 H3* U 29 4.369 -1.037 -2.854
308 H2* U 29 H2* U 29 6.613 -0.260 -2.927
309 2HO* U 29 2HO* U 29 7.346 1.053 -4.631
310 H1* U 29 H1* U 29 5.875 2.404 -3.363
311 H3 U 29 H3 U 29 8.031 1.880 0.745
312 H5 U 29 H5 U 29 3.962 1.006 1.431
313 H6 U 29 H6 U 29 3.614 1.069 -0.953
314 1H5* C 30 1H5* C 30 7.528 -1.410 -5.777
315 2H5* C 30 2H5* C 30 8.242 -3.040 -5.654
316 H4* C 30 H4* C 30 9.704 -0.936 -5.106
317 H3* C 30 H3* C 30 9.570 -3.360 -3.303
318 H2* C 30 H2* C 30 11.232 -2.338 -1.923
319 2HO* C 30 2HO* C 30 11.467 -0.370 -3.990
320 H1* C 30 H1* C 30 10.126 0.204 -2.110
321 1H4 C 30 1H4 C 30 8.064 -2.496 3.346
322 2H4 C 30 2H4 C 30 6.539 -2.810 2.552
323 H5 C 30 H5 C 30 6.172 -2.423 0.162
324 H6 C 30 H6 C 30 7.208 -1.680 -1.888
325 1H5* C 31 1H5* C 31 13.613 -2.598 -3.476
326 2H5* C 31 2H5* C 31 14.455 -4.089 -3.978
327 H4* C 31 H4* C 31 15.464 -3.207 -1.945
328 H3* C 31 H3* C 31 13.805 -5.696 -1.486
329 H2* C 31 H2* C 31 14.573 -5.702 0.782
330 2HO* C 31 2HO* C 31 16.146 -4.110 1.431
331 H1* C 31 H1* C 31 14.198 -2.995 1.114
332 1H4 C 31 1H4 C 31 8.788 -5.754 3.076
333 2H4 C 31 2H4 C 31 8.138 -5.643 1.455
334 H5 C 31 H5 C 31 9.469 -4.879 -0.462
335 H6 C 31 H6 C 31 11.646 -4.087 -1.142
336 1H5* U 32 1H5* U 32 16.869 -6.976 0.737
337 2H5* U 32 2H5* U 32 17.637 -8.263 -0.227
338 H4* U 32 H4* U 32 17.412 -9.216 1.891
339 H3* U 32 H3* U 32 14.978 -10.018 0.289
340 H2* U 32 H2* U 32 14.316 -11.372 2.117
341 2HO* U 32 2HO* U 32 15.686 -11.721 3.875
342 H1* U 32 H1* U 32 14.797 -9.502 3.989
343 H3 U 32 H3 U 32 10.338 -9.852 3.539
344 H5 U 32 H5 U 32 11.470 -7.189 0.509
345 H6 U 32 H6 U 32 13.814 -7.721 1.008
346 1H5* C 33 1H5* C 33 16.725 -13.501 2.196
347 2H5* C 33 2H5* C 33 16.324 -14.972 1.275
348 H4* C 33 H4* C 33 15.560 -14.928 3.700
349 H3* C 33 H3* C 33 13.445 -15.234 1.551
350 H2* C 33 H2* C 33 11.898 -15.662 3.318
351 2HO* C 33 2HO* C 33 12.624 -15.887 5.468
352 H1* C 33 H1* C 33 12.850 -13.616 4.903
353 1H4 C 33 1H4 C 33 7.933 -11.193 1.635
354 2H4 C 33 2H4 C 33 8.993 -10.801 0.298
355 H5 C 33 H5 C 33 11.365 -11.463 0.233
356 H6 C 33 H6 C 33 13.107 -12.627 1.438
357 1H5* C 34 1H5* C 34 13.009 -18.317 4.567
358 2H5* C 34 2H5* C 34 12.441 -19.804 3.772
359 H4* C 34 H4* C 34 11.022 -18.987 5.698
360 H3* C 34 H3* C 34 9.740 -19.217 2.963
361 H2* C 34 H2* C 34 7.641 -18.729 3.997
362 2HO* C 34 2HO* C 34 7.521 -18.609 6.311
363 H1* C 34 H1* C 34 8.697 -16.758 5.667
364 1H4 C 34 1H4 C 34 6.234 -13.734 0.603
365 2H4 C 34 2H4 C 34 7.758 -13.898 -0.244
366 H5 C 34 H5 C 34 9.649 -15.198 0.646
367 H6 C 34 H6 C 34 10.398 -16.551 2.501
Start of MODEL 9
1 1H5* G 1 1H5* G 1 -2.374 -12.005 1.338
2 2H5* G 1 2H5* G 1 -0.971 -12.230 0.294
3 H4* G 1 H4* G 1 -1.984 -14.241 2.316
4 H3* G 1 H3* G 1 0.341 -12.306 2.435
5 H2* G 1 H2* G 1 1.532 -13.919 3.732
6 2HO* G 1 2HO* G 1 -0.907 -15.415 3.730
7 H1* G 1 H1* G 1 0.863 -16.022 2.129
8 H8 G 1 H8 G 1 1.302 -13.097 -0.180
9 H1 G 1 H1 G 1 6.878 -15.446 1.886
10 1H2 G 1 1H2 G 1 6.542 -16.860 3.550
11 2H2 G 1 2H2 G 1 4.939 -17.239 4.143
12 1H5* G 2 1H5* G 2 -0.120 -13.668 6.480
13 2H5* G 2 2H5* G 2 0.246 -12.313 7.583
14 H4* G 2 H4* G 2 1.661 -14.414 7.862
15 H3* G 2 H3* G 2 3.043 -11.788 7.247
16 H2* G 2 H2* G 2 5.123 -12.915 7.588
17 2HO* G 2 2HO* G 2 5.152 -15.044 8.441
18 H1* G 2 H1* G 2 4.298 -15.229 6.265
19 H8 G 2 H8 G 2 3.031 -12.611 4.005
20 H1 G 2 H1 G 2 9.419 -12.869 3.866
21 1H2 G 2 1H2 G 2 10.179 -14.053 5.573
22 2H2 G 2 2H2 G 2 9.108 -14.793 6.743
23 1H5* A 3 1H5* A 3 4.934 -13.145 11.067
24 2H5* A 3 2H5* A 3 4.952 -11.667 12.067
25 H4* A 3 H4* A 3 7.167 -12.718 12.012
26 H3* A 3 H3* A 3 7.016 -10.133 10.440
27 H2* A 3 H2* A 3 9.412 -10.277 10.205
28 2HO* A 3 2HO* A 3 10.523 -12.025 11.232
29 H1* A 3 H1* A 3 9.321 -12.909 9.453
30 H8 A 3 H8 A 3 6.187 -11.379 8.047
31 1H6 A 3 1H6 A 3 9.675 -9.147 3.447
32 2H6 A 3 2H6 A 3 8.040 -9.415 4.009
33 H2 A 3 H2 A 3 12.382 -10.757 6.644
34 1H5* G 4 1H5* G 4 10.128 -9.517 13.203
35 2H5* G 4 2H5* G 4 10.098 -7.867 13.873
36 H4* G 4 H4* G 4 12.294 -8.452 12.891
37 H3* G 4 H3* G 4 10.756 -6.314 11.396
38 H2* G 4 H2* G 4 12.715 -6.005 10.038
39 2HO* G 4 2HO* G 4 14.308 -6.310 11.692
40 H1* G 4 H1* G 4 13.060 -8.692 9.643
41 H8 G 4 H8 G 4 9.351 -8.278 9.801
42 H1 G 4 H1 G 4 11.818 -6.124 4.315
43 1H2 G 4 1H2 G 4 14.015 -5.982 4.468
44 2H2 G 4 2H2 G 4 14.880 -6.431 5.921
45 1H5* G 5 1H5* G 5 14.549 -4.197 12.188
46 2H5* G 5 2H5* G 5 14.039 -2.564 12.688
47 H4* G 5 H4* G 5 15.661 -2.629 10.760
48 H3* G 5 H3* G 5 12.930 -1.415 10.265
49 H2* G 5 H2* G 5 13.709 -0.761 8.092
50 2HO* G 5 2HO* G 5 15.910 -1.091 7.528
51 H1* G 5 H1* G 5 14.871 -3.199 7.575
52 H8 G 5 H8 G 5 11.826 -4.190 9.462
53 H1 G 5 H1 G 5 10.396 -2.054 3.604
54 1H2 G 5 1H2 G 5 12.153 -1.055 2.699
55 2H2 G 5 2H2 G 5 13.677 -0.912 3.546
56 1H5* A 6 1H5* A 6 16.098 1.586 9.129
57 2H5* A 6 2H5* A 6 15.376 3.201 9.370
58 H4* A 6 H4* A 6 16.306 2.545 7.017
59 H3* A 6 H3* A 6 13.550 3.745 7.394
60 H2* A 6 H2* A 6 13.363 3.826 5.012
61 2HO* A 6 2HO* A 6 15.177 3.300 3.703
62 H1* A 6 H1* A 6 14.448 1.324 4.644
63 H8 A 6 H8 A 6 12.235 1.008 7.658
64 1H6 A 6 1H6 A 6 7.440 0.645 3.781
65 2H6 A 6 2H6 A 6 7.968 0.447 5.434
66 H2 A 6 H2 A 6 11.048 1.932 1.439
67 1H5* C 7 1H5* C 7 15.488 5.824 4.270
68 2H5* C 7 2H5* C 7 15.026 7.544 4.280
69 H4* C 7 H4* C 7 14.538 6.283 2.134
70 H3* C 7 H3* C 7 12.226 7.541 3.613
71 H2* C 7 H2* C 7 10.840 6.985 1.730
72 2HO* C 7 2HO* C 7 11.779 6.174 -0.179
73 H1* C 7 H1* C 7 11.941 4.454 1.471
74 1H4 C 7 1H4 C 7 6.710 3.795 5.085
75 2H4 C 7 2H4 C 7 7.685 4.014 6.523
76 H5 C 7 H5 C 7 10.064 4.623 6.442
77 H6 C 7 H6 C 7 11.909 5.128 4.964
78 1H5* A 8 1H5* A 8 10.325 11.409 0.793
79 2H5* A 8 2H5* A 8 9.571 10.290 1.960
80 H4* A 8 H4* A 8 9.578 10.130 -1.060
81 H3* A 8 H3* A 8 7.460 10.558 1.025
82 H2* A 8 H2* A 8 5.905 9.091 -0.032
83 2HO* A 8 2HO* A 8 7.804 8.954 -2.169
84 H1* A 8 H1* A 8 7.581 7.075 -0.447
85 H8 A 8 H8 A 8 9.440 7.974 2.459
86 1H6 A 8 1H6 A 8 4.664 6.592 6.132
87 2H6 A 8 2H6 A 8 6.383 6.905 6.069
88 H2 A 8 H2 A 8 3.154 6.941 1.935
89 1H5* U 9 1H5* U 9 5.345 10.608 -1.787
90 2H5* U 9 2H5* U 9 4.510 12.080 -2.360
91 H4* U 9 H4* U 9 2.941 10.242 -2.217
92 H3* U 9 H3* U 9 2.572 12.562 -0.437
93 H2* U 9 H2* U 9 1.355 11.453 1.200
94 2HO* U 9 2HO* U 9 -0.237 10.007 0.755
95 H1* U 9 H1* U 9 1.904 8.776 0.668
96 H3 U 9 H3 U 9 2.317 9.927 5.158
97 H5 U 9 H5 U 9 6.074 10.522 3.370
98 H6 U 9 H6 U 9 5.009 10.233 1.208
99 1H5* U 10 1H5* U 10 -2.205 11.343 -0.182
100 2H5* U 10 2H5* U 10 -2.494 12.629 -1.379
101 H4* U 10 H4* U 10 -3.669 12.722 0.977
102 H3* U 10 H3* U 10 -3.165 14.764 -0.833
103 H2* U 10 H2* U 10 -1.012 15.267 0.113
104 2HO* U 10 2HO* U 10 -2.884 16.919 1.464
105 H1* U 10 H1* U 10 -2.283 15.056 2.849
106 H3 U 10 H3 U 10 1.519 15.702 5.167
107 H5 U 10 H5 U 10 2.889 13.907 1.610
108 H6 U 10 H6 U 10 0.604 13.853 0.839
109 1H5* C 11 1H5* C 11 -7.365 15.751 2.505
110 2H5* C 11 2H5* C 11 -5.800 15.015 2.947
111 H4* C 11 H4* C 11 -8.534 13.717 3.021
112 H3* C 11 H3* C 11 -7.339 15.167 5.069
113 H2* C 11 H2* C 11 -5.448 13.731 5.226
114 2HO* C 11 2HO* C 11 -6.501 13.722 7.284
115 H1* C 11 H1* C 11 -7.323 11.388 4.871
116 1H4 C 11 1H4 C 11 -1.936 8.027 4.484
117 2H4 C 11 2H4 C 11 -1.083 9.356 3.735
118 H5 C 11 H5 C 11 -2.138 11.530 3.298
119 H6 C 11 H6 C 11 -4.180 12.802 3.476
120 1H5* C 12 1H5* C 12 -11.075 12.018 5.046
121 2H5* C 12 2H5* C 12 -12.315 13.155 4.442
122 H4* C 12 H4* C 12 -13.643 11.629 5.543
123 H3* C 12 H3* C 12 -13.644 13.989 6.884
124 H2* C 12 H2* C 12 -11.777 13.442 8.294
125 2HO* C 12 2HO* C 12 -12.678 12.827 10.372
126 H1* C 12 H1* C 12 -12.977 10.720 8.869
127 1H4 C 12 1H4 C 12 -7.142 9.839 11.275
128 2H4 C 12 2H4 C 12 -6.399 10.429 9.807
129 H5 C 12 H5 C 12 -7.697 11.305 7.912
130 H6 C 12 H6 C 12 -9.929 11.760 7.111
131 1H5* U 13 1H5* U 13 -17.621 10.598 5.048
132 2H5* U 13 2H5* U 13 -16.942 9.013 5.489
133 H4* U 13 H4* U 13 -15.951 10.894 3.351
134 H3* U 13 H3* U 13 -17.924 9.221 2.823
135 H2* U 13 H2* U 13 -16.966 7.443 4.178
136 2HO* U 13 2HO* U 13 -16.208 5.849 2.588
137 H1* U 13 H1* U 13 -14.412 7.681 2.587
138 H3 U 13 H3 U 13 -12.954 4.243 5.270
139 H5 U 13 H5 U 13 -14.094 7.319 7.929
140 H6 U 13 H6 U 13 -14.958 8.519 6.064
141 1H5* C 14 1H5* C 14 -13.579 12.717 1.359
142 2H5* C 14 2H5* C 14 -13.915 12.138 -0.294
143 H4* C 14 H4* C 14 -11.554 12.122 -0.104
144 H3* C 14 H3* C 14 -12.495 9.305 0.526
145 H2* C 14 H2* C 14 -10.198 8.677 0.622
146 2HO* C 14 2HO* C 14 -8.572 10.117 -0.140
147 H1* C 14 H1* C 14 -9.389 11.117 1.785
148 1H4 C 14 1H4 C 14 -9.366 6.722 6.412
149 2H4 C 14 2H4 C 14 -11.036 7.097 6.762
150 H5 C 14 H5 C 14 -12.360 8.634 5.389
151 H6 C 14 H6 C 14 -12.339 10.060 3.440
152 1H5* A 15 1H5* A 15 -9.231 9.015 -2.437
153 2H5* A 15 2H5* A 15 -9.700 7.681 -3.518
154 H4* A 15 H4* A 15 -7.410 7.557 -2.289
155 H3* A 15 H3* A 15 -9.403 5.289 -2.313
156 H2* A 15 H2* A 15 -7.901 3.938 -1.012
157 2HO* A 15 2HO* A 15 -5.782 4.768 -0.534
158 H1* A 15 H1* A 15 -7.295 5.913 0.768
159 H8 A 15 H8 A 15 -10.772 5.965 -0.735
160 1H6 A 15 1H6 A 15 -12.401 2.650 4.316
161 2H6 A 15 2H6 A 15 -13.033 3.457 2.894
162 H2 A 15 H2 A 15 -7.946 3.238 4.249
163 1H5* C 16 1H5* C 16 -5.906 3.403 -3.406
164 2H5* C 16 2H5* C 16 -6.161 2.188 -4.688
165 H4* C 16 H4* C 16 -5.194 1.239 -2.601
166 H3* C 16 H3* C 16 -7.986 0.309 -3.319
167 H2* C 16 H2* C 16 -7.822 -1.260 -1.519
168 2HO* C 16 2HO* C 16 -5.799 -1.475 -0.394
169 H1* C 16 H1* C 16 -6.605 0.563 0.193
170 1H4 C 16 1H4 C 16 -12.777 0.664 1.738
171 2H4 C 16 2H4 C 16 -13.121 1.767 0.420
172 H5 C 16 H5 C 16 -11.420 2.452 -1.221
173 H6 C 16 H6 C 16 -9.105 2.190 -1.881
174 1H5* G 17 1H5* G 17 -5.010 -2.938 -3.046
175 2H5* G 17 2H5* G 17 -5.334 -4.210 -4.251
176 H4* G 17 H4* G 17 -4.887 -5.090 -1.962
177 H3* G 17 H3* G 17 -7.654 -5.566 -3.093
178 H2* G 17 H2* G 17 -8.138 -6.910 -1.160
179 2HO* G 17 2HO* G 17 -6.458 -7.286 0.388
180 H1* G 17 H1* G 17 -7.118 -5.076 0.593
181 H8 G 17 H8 G 17 -8.565 -2.965 -2.135
182 H1 G 17 H1 G 17 -13.070 -5.529 1.610
183 1H2 G 17 1H2 G 17 -12.193 -7.090 2.905
184 2H2 G 17 2H2 G 17 -10.493 -7.498 2.851
185 1H5* G 18 1H5* G 18 -6.394 -9.234 -1.749
186 2H5* G 18 2H5* G 18 -6.778 -10.548 -2.893
187 H4* G 18 H4* G 18 -7.659 -10.912 -0.578
188 H3* G 18 H3* G 18 -9.705 -10.603 -2.791
189 H2* G 18 H2* G 18 -11.394 -11.169 -1.197
190 2HO* G 18 2HO* G 18 -10.260 -12.875 -0.131
191 H1* G 18 H1* G 18 -10.219 -9.668 0.851
192 H8 G 18 H8 G 18 -10.022 -7.560 -2.241
193 H1 G 18 H1 G 18 -15.917 -7.723 0.256
194 1H2 G 18 1H2 G 18 -16.053 -9.307 1.795
195 2H2 G 18 2H2 G 18 -14.692 -10.327 2.202
196 1H5* G 19 1H5* G 19 -11.905 -14.468 -4.585
197 2H5* G 19 2H5* G 19 -12.184 -12.717 -4.780
198 H4* G 19 H4* G 19 -13.506 -14.594 -2.800
199 H3* G 19 H3* G 19 -14.584 -12.943 -5.102
200 H2* G 19 H2* G 19 -16.692 -12.891 -3.936
201 2HO* G 19 2HO* G 19 -16.927 -14.059 -1.983
202 H1* G 19 H1* G 19 -15.532 -12.183 -1.570
203 H8 G 19 H8 G 19 -13.680 -10.837 -4.661
204 H1 G 19 H1 G 19 -18.419 -7.085 -2.571
205 1H2 G 19 1H2 G 19 -19.556 -8.108 -0.991
206 2H2 G 19 2H2 G 19 -19.143 -9.712 -0.432
207 1H5* U 20 1H5* U 20 -16.476 -12.504 -7.465
208 2H5* U 20 2H5* U 20 -16.452 -13.394 -5.924
209 H4* U 20 H4* U 20 -17.282 -14.646 -8.549
210 H3* U 20 H3* U 20 -18.997 -13.350 -6.419
211 H2* U 20 H2* U 20 -20.674 -14.976 -6.835
212 2HO* U 20 2HO* U 20 -20.572 -16.295 -8.712
213 H1* U 20 H1* U 20 -18.815 -17.051 -7.339
214 H3 U 20 H3 U 20 -21.031 -18.602 -3.734
215 H5 U 20 H5 U 20 -18.777 -15.404 -2.200
216 H6 U 20 H6 U 20 -18.114 -14.861 -4.488
217 1H5* G 21 1H5* G 21 -21.103 -10.492 -6.501
218 2H5* G 21 2H5* G 21 -19.968 -11.655 -5.763
219 H4* G 21 H4* G 21 -22.947 -11.776 -5.287
220 H3* G 21 H3* G 21 -20.869 -10.250 -3.708
221 H2* G 21 H2* G 21 -22.109 -10.757 -1.736
222 2HO* G 21 2HO* G 21 -24.142 -11.636 -3.549
223 H1* G 21 H1* G 21 -22.702 -13.357 -2.532
224 H8 G 21 H8 G 21 -19.204 -11.682 -2.873
225 H1 G 21 H1 G 21 -19.843 -15.753 2.010
226 1H2 G 21 1H2 G 21 -21.915 -16.519 2.106
227 2H2 G 21 2H2 G 21 -23.144 -16.027 0.966
228 1H5* A 22 1H5* A 22 -24.193 -6.352 -1.365
229 2H5* A 22 2H5* A 22 -22.713 -7.271 -0.980
230 H4* A 22 H4* A 22 -25.592 -8.060 -0.505
231 H3* A 22 H3* A 22 -23.184 -7.708 1.284
232 H2* A 22 H2* A 22 -24.121 -9.325 2.789
233 2HO* A 22 2HO* A 22 -26.371 -9.308 1.010
234 H1* A 22 H1* A 22 -24.621 -11.112 0.820
235 H8 A 22 H8 A 22 -21.611 -9.280 -0.435
236 1H6 A 22 1H6 A 22 -18.189 -12.740 3.368
237 2H6 A 22 2H6 A 22 -18.156 -11.605 2.038
238 H2 A 22 H2 A 22 -22.491 -13.355 4.403
239 1H5* C 23 1H5* C 23 -24.272 -7.393 3.772
240 2H5* C 23 2H5* C 23 -23.763 -6.245 5.034
241 H4* C 23 H4* C 23 -22.554 -8.447 5.057
242 H3* C 23 H3* C 23 -20.903 -5.968 4.533
243 H2* C 23 H2* C 23 -18.956 -7.358 4.703
244 2HO* C 23 2HO* C 23 -19.152 -9.530 5.359
245 H1* C 23 H1* C 23 -20.048 -9.366 3.149
246 1H4 C 23 1H4 C 23 -16.764 -5.561 -0.805
247 2H4 C 23 2H4 C 23 -18.196 -4.588 -1.063
248 H5 C 23 H5 C 23 -20.284 -4.934 0.186
249 H6 C 23 H6 C 23 -21.371 -6.280 1.881
250 1H5* C 24 1H5* C 24 -19.203 -7.963 7.898
251 2H5* C 24 2H5* C 24 -18.446 -6.803 9.024
252 H4* C 24 H4* C 24 -16.899 -8.582 8.132
253 H3* C 24 H3* C 24 -16.239 -5.709 7.429
254 H2* C 24 H2* C 24 -14.158 -6.541 6.563
255 2HO* C 24 2HO* C 24 -13.619 -8.758 6.841
256 H1* C 24 H1* C 24 -15.374 -8.691 5.299
257 1H4 C 24 1H4 C 24 -14.900 -4.077 0.910
258 2H4 C 24 2H4 C 24 -16.385 -3.352 1.485
259 H5 C 24 H5 C 24 -17.584 -4.168 3.467
260 H6 C 24 H6 C 24 -17.571 -5.812 5.231
261 1H5* G 25 1H5* G 25 -12.943 -7.525 9.267
262 2H5* G 25 2H5* G 25 -11.970 -6.412 10.260
263 H4* G 25 H4* G 25 -10.720 -7.660 8.443
264 H3* G 25 H3* G 25 -10.735 -4.634 8.394
265 H2* G 25 H2* G 25 -9.178 -4.737 6.575
266 2HO* G 25 2HO* G 25 -8.363 -6.794 5.904
267 H1* G 25 H1* G 25 -10.574 -6.685 5.242
268 H8 G 25 H8 G 25 -13.379 -4.733 6.643
269 H1 G 25 H1 G 25 -10.277 -1.438 2.104
270 1H2 G 25 1H2 G 25 -8.337 -2.408 1.664
271 2H2 G 25 2H2 G 25 -7.813 -3.866 2.475
272 1H5* U 26 1H5* U 26 -6.838 -5.329 7.929
273 2H5* U 26 2H5* U 26 -5.829 -4.256 8.935
274 H4* U 26 H4* U 26 -5.476 -4.114 6.414
275 H3* U 26 H3* U 26 -6.242 -1.637 7.971
276 H2* U 26 H2* U 26 -6.018 -0.363 5.974
277 2HO* U 26 2HO* U 26 -4.991 -1.222 4.143
278 H1* U 26 H1* U 26 -7.082 -2.360 4.314
279 H3 U 26 H3 U 26 -9.626 1.540 4.467
280 H5 U 26 H5 U 26 -11.267 -1.136 7.270
281 H6 U 26 H6 U 26 -9.305 -2.530 6.985
282 1H5* G 27 1H5* G 27 -2.601 -1.459 5.603
283 2H5* G 27 2H5* G 27 -1.358 -0.332 6.203
284 H4* G 27 H4* G 27 -2.465 -0.246 3.716
285 H3* G 27 H3* G 27 -0.581 1.329 4.945
286 H2* G 27 H2* G 27 -2.172 2.662 6.107
287 2HO* G 27 2HO* G 27 -2.353 4.662 4.942
288 H1* G 27 H1* G 27 -3.804 2.839 3.556
289 H8 G 27 H8 G 27 -4.536 1.831 7.208
290 H1 G 27 H1 G 27 -7.848 6.845 5.037
291 1H2 G 27 1H2 G 27 -7.176 7.384 3.001
292 2H2 G 27 2H2 G 27 -5.917 6.494 2.176
293 1H5* G 28 1H5* G 28 -1.676 2.914 0.179
294 2H5* G 28 2H5* G 28 -1.959 1.460 -0.809
295 H4* G 28 H4* G 28 -0.737 2.725 -2.277
296 H3* G 28 H3* G 28 1.225 1.119 -0.660
297 H2* G 28 H2* G 28 3.082 2.246 -1.601
298 2HO* G 28 2HO* G 28 2.760 3.742 -3.337
299 H1* G 28 H1* G 28 2.101 4.729 -1.392
300 H8 G 28 H8 G 28 0.575 3.023 1.593
301 H1 G 28 H1 G 28 6.772 4.366 2.417
302 1H2 G 28 1H2 G 28 7.697 4.956 0.501
303 2H2 G 28 2H2 G 28 6.785 5.024 -0.992
304 1H5* U 29 1H5* U 29 2.641 0.685 -4.656
305 2H5* U 29 2H5* U 29 3.220 -0.977 -4.955
306 H4* U 29 H4* U 29 4.950 0.773 -5.361
307 H3* U 29 H3* U 29 5.483 -1.132 -3.069
308 H2* U 29 H2* U 29 7.630 -0.140 -2.868
309 2HO* U 29 2HO* U 29 8.431 1.258 -4.473
310 H1* U 29 H1* U 29 6.706 2.445 -3.386
311 H3 U 29 H3 U 29 8.316 2.092 0.975
312 H5 U 29 H5 U 29 4.316 0.766 1.097
313 H6 U 29 H6 U 29 4.288 0.832 -1.311
314 1H5* C 30 1H5* C 30 8.952 -1.115 -5.518
315 2H5* C 30 2H5* C 30 9.814 -2.671 -5.384
316 H4* C 30 H4* C 30 10.985 -0.477 -4.575
317 H3* C 30 H3* C 30 10.872 -3.001 -2.916
318 H2* C 30 H2* C 30 12.227 -1.922 -1.274
319 2HO* C 30 2HO* C 30 13.212 0.091 -1.723
320 H1* C 30 H1* C 30 10.919 0.520 -1.476
321 1H4 C 30 1H4 C 30 8.421 -2.739 3.479
322 2H4 C 30 2H4 C 30 7.028 -3.073 2.476
323 H5 C 30 H5 C 30 6.933 -2.519 0.093
324 H6 C 30 H6 C 30 8.159 -1.555 -1.747
325 1H5* C 31 1H5* C 31 14.770 -1.923 -2.604
326 2H5* C 31 2H5* C 31 15.843 -3.269 -3.070
327 H4* C 31 H4* C 31 16.501 -2.423 -0.892
328 H3* C 31 H3* C 31 15.075 -5.087 -0.752
329 H2* C 31 H2* C 31 15.553 -5.145 1.593
330 2HO* C 31 2HO* C 31 16.863 -3.475 2.518
331 H1* C 31 H1* C 31 14.842 -2.522 1.996
332 1H4 C 31 1H4 C 31 9.557 -5.943 3.062
333 2H4 C 31 2H4 C 31 9.104 -5.767 1.381
334 H5 C 31 H5 C 31 10.572 -4.729 -0.292
335 H6 C 31 H6 C 31 12.722 -3.685 -0.628
336 1H5* U 32 1H5* U 32 17.933 -6.077 1.789
337 2H5* U 32 2H5* U 32 18.979 -7.243 0.943
338 H4* U 32 H4* U 32 18.582 -8.248 3.012
339 H3* U 32 H3* U 32 16.522 -9.322 1.081
340 H2* U 32 H2* U 32 15.777 -10.778 2.803
341 2HO* U 32 2HO* U 32 17.981 -9.780 4.329
342 H1* U 32 H1* U 32 15.742 -8.887 4.714
343 H3 U 32 H3 U 32 11.466 -9.747 3.611
344 H5 U 32 H5 U 32 12.724 -6.955 0.748
345 H6 U 32 H6 U 32 15.010 -7.212 1.600
346 1H5* C 33 1H5* C 33 18.383 -12.555 3.221
347 2H5* C 33 2H5* C 33 18.374 -14.051 2.255
348 H4* C 33 H4* C 33 17.233 -14.218 4.501
349 H3* C 33 H3* C 33 15.523 -14.689 2.045
350 H2* C 33 H2* C 33 13.794 -15.385 3.538
351 2HO* C 33 2HO* C 33 15.721 -15.104 5.632
352 H1* C 33 H1* C 33 14.221 -13.310 5.302
353 1H4 C 33 1H4 C 33 9.589 -11.354 1.374
354 2H4 C 33 2H4 C 33 10.779 -10.793 0.219
355 H5 C 33 H5 C 33 13.197 -11.170 0.501
356 H6 C 33 H6 C 33 14.870 -12.164 1.934
357 1H5* C 34 1H5* C 34 15.024 -17.924 4.862
358 2H5* C 34 2H5* C 34 14.806 -19.438 3.953
359 H4* C 34 H4* C 34 12.989 -18.916 5.624
360 H3* C 34 H3* C 34 12.218 -19.156 2.705
361 H2* C 34 H2* C 34 9.932 -18.997 3.381
362 2HO* C 34 2HO* C 34 10.266 -20.368 5.311
363 H1* C 34 H1* C 34 10.425 -17.006 5.272
364 1H4 C 34 1H4 C 34 8.437 -14.035 -0.025
365 2H4 C 34 2H4 C 34 10.085 -13.963 -0.612
366 H5 C 34 H5 C 34 11.963 -15.066 0.536
367 H6 C 34 H6 C 34 12.575 -16.415 2.444
Start of MODEL 10
1 1H5* G 1 1H5* G 1 -3.948 -7.198 3.251
2 2H5* G 1 2H5* G 1 -2.830 -7.716 1.989
3 H4* G 1 H4* G 1 -4.040 -9.522 4.095
4 H3* G 1 H3* G 1 -1.279 -8.297 3.886
5 H2* G 1 H2* G 1 -0.416 -10.249 4.954
6 2HO* G 1 2HO* G 1 -1.801 -11.802 5.843
7 H1* G 1 H1* G 1 -1.901 -11.985 3.449
8 H8 G 1 H8 G 1 -0.924 -9.211 1.125
9 H1 G 1 H1 G 1 3.930 -13.189 2.355
10 1H2 G 1 1H2 G 1 3.418 -14.522 4.042
11 2H2 G 1 2H2 G 1 1.873 -14.439 4.860
12 1H5* G 2 1H5* G 2 -1.542 -9.684 7.986
13 2H5* G 2 2H5* G 2 -0.588 -8.572 9.006
14 H4* G 2 H4* G 2 0.098 -11.049 8.990
15 H3* G 2 H3* G 2 2.129 -8.913 8.292
16 H2* G 2 H2* G 2 3.784 -10.635 8.256
17 2HO* G 2 2HO* G 2 3.063 -11.779 10.135
18 H1* G 2 H1* G 2 2.108 -12.482 6.999
19 H8 G 2 H8 G 2 1.430 -9.489 4.991
20 H1 G 2 H1 G 2 7.402 -11.554 4.012
21 1H2 G 2 1H2 G 2 7.975 -13.018 5.565
22 2H2 G 2 2H2 G 2 6.884 -13.490 6.850
23 1H5* A 3 1H5* A 3 4.046 -10.985 11.844
24 2H5* A 3 2H5* A 3 4.469 -9.590 12.874
25 H4* A 3 H4* A 3 6.401 -11.037 12.666
26 H3* A 3 H3* A 3 6.674 -8.542 10.971
27 H2* A 3 H2* A 3 8.951 -9.222 10.537
28 2HO* A 3 2HO* A 3 9.761 -11.115 11.555
29 H1* A 3 H1* A 3 8.213 -11.774 9.902
30 H8 A 3 H8 A 3 5.324 -9.654 8.783
31 1H6 A 3 1H6 A 3 8.649 -8.240 3.769
32 2H6 A 3 2H6 A 3 7.070 -8.160 4.515
33 H2 A 3 H2 A 3 11.323 -10.329 6.704
34 1H5* G 4 1H5* G 4 10.118 -8.484 13.315
35 2H5* G 4 2H5* G 4 10.463 -6.850 13.937
36 H4* G 4 H4* G 4 12.393 -7.822 12.740
37 H3* G 4 H3* G 4 11.088 -5.484 11.323
38 H2* G 4 H2* G 4 12.917 -5.554 9.764
39 2HO* G 4 2HO* G 4 14.602 -6.094 11.256
40 H1* G 4 H1* G 4 12.747 -8.273 9.457
41 H8 G 4 H8 G 4 9.202 -7.226 9.944
42 H1 G 4 H1 G 4 11.452 -5.621 4.181
43 1H2 G 4 1H2 G 4 13.648 -5.853 4.129
44 2H2 G 4 2H2 G 4 14.558 -6.416 5.511
45 1H5* G 5 1H5* G 5 15.331 -3.844 11.804
46 2H5* G 5 2H5* G 5 14.970 -2.181 12.337
47 H4* G 5 H4* G 5 16.508 -2.363 10.341
48 H3* G 5 H3* G 5 13.878 -0.898 9.989
49 H2* G 5 H2* G 5 14.610 -0.281 7.786
50 2HO* G 5 2HO* G 5 16.723 -0.682 7.117
51 H1* G 5 H1* G 5 15.493 -2.806 7.174
52 H8 G 5 H8 G 5 12.481 -3.464 9.283
53 H1 G 5 H1 G 5 10.916 -1.334 3.461
54 1H2 G 5 1H2 G 5 12.707 -0.562 2.414
55 2H2 G 5 2H2 G 5 14.290 -0.561 3.159
56 1H5* A 6 1H5* A 6 17.188 2.092 8.737
57 2H5* A 6 2H5* A 6 16.432 3.668 9.101
58 H4* A 6 H4* A 6 17.232 3.182 6.671
59 H3* A 6 H3* A 6 14.441 4.201 7.265
60 H2* A 6 H2* A 6 14.109 4.388 4.900
61 2HO* A 6 2HO* A 6 15.857 3.989 3.468
62 H1* A 6 H1* A 6 15.200 1.940 4.362
63 H8 A 6 H8 A 6 13.328 1.585 7.625
64 1H6 A 6 1H6 A 6 8.169 1.005 4.279
65 2H6 A 6 2H6 A 6 8.871 0.856 5.872
66 H2 A 6 H2 A 6 11.469 2.299 1.539
67 1H5* C 7 1H5* C 7 16.014 6.625 4.165
68 2H5* C 7 2H5* C 7 15.366 8.281 4.290
69 H4* C 7 H4* C 7 14.864 7.046 2.127
70 H3* C 7 H3* C 7 12.524 7.987 3.797
71 H2* C 7 H2* C 7 11.119 7.379 1.936
72 2HO* C 7 2HO* C 7 12.535 8.023 0.225
73 H1* C 7 H1* C 7 12.368 4.957 1.613
74 1H4 C 7 1H4 C 7 7.512 4.012 5.671
75 2H4 C 7 2H4 C 7 8.600 4.270 7.019
76 H5 C 7 H5 C 7 10.930 4.998 6.733
77 H6 C 7 H6 C 7 12.603 5.609 5.102
78 1H5* A 8 1H5* A 8 11.699 10.192 -0.046
79 2H5* A 8 2H5* A 8 10.833 11.647 0.519
80 H4* A 8 H4* A 8 9.593 10.034 -1.073
81 H3* A 8 H3* A 8 8.371 10.878 1.569
82 H2* A 8 H2* A 8 6.370 9.708 0.898
83 2HO* A 8 2HO* A 8 6.268 8.729 -1.161
84 H1* A 8 H1* A 8 7.704 7.474 0.221
85 H8 A 8 H8 A 8 9.965 8.380 2.906
86 1H6 A 8 1H6 A 8 5.578 7.031 7.055
87 2H6 A 8 2H6 A 8 7.281 7.352 6.824
88 H2 A 8 H2 A 8 3.666 7.323 3.017
89 1H5* U 9 1H5* U 9 5.570 10.974 -0.821
90 2H5* U 9 2H5* U 9 4.789 12.535 -1.169
91 H4* U 9 H4* U 9 3.170 10.703 -0.831
92 H3* U 9 H3* U 9 3.132 13.158 0.750
93 H2* U 9 H2* U 9 2.335 12.264 2.747
94 2HO* U 9 2HO* U 9 0.592 10.574 1.319
95 H1* U 9 H1* U 9 2.307 9.484 2.167
96 H3 U 9 H3 U 9 3.325 10.359 6.590
97 H5 U 9 H5 U 9 6.863 10.934 4.399
98 H6 U 9 H6 U 9 5.586 10.729 2.388
99 1H5* U 10 1H5* U 10 -2.361 11.588 -1.335
100 2H5* U 10 2H5* U 10 -1.288 12.983 -1.085
101 H4* U 10 H4* U 10 -3.424 11.871 0.747
102 H3* U 10 H3* U 10 -3.602 14.039 -0.898
103 H2* U 10 H2* U 10 -1.572 15.020 -0.010
104 2HO* U 10 2HO* U 10 -3.754 16.174 1.395
105 H1* U 10 H1* U 10 -2.738 14.519 2.729
106 H3 U 10 H3 U 10 0.756 16.303 4.948
107 H5 U 10 H5 U 10 2.544 14.672 1.505
108 H6 U 10 H6 U 10 0.356 13.950 0.780
109 1H5* C 11 1H5* C 11 -8.111 11.910 0.799
110 2H5* C 11 2H5* C 11 -9.010 13.281 1.504
111 H4* C 11 H4* C 11 -9.217 11.324 2.928
112 H3* C 11 H3* C 11 -8.304 13.798 3.970
113 H2* C 11 H2* C 11 -6.087 13.034 4.316
114 2HO* C 11 2HO* C 11 -6.930 13.458 6.419
115 H1* C 11 H1* C 11 -7.247 10.318 4.987
116 1H4 C 11 1H4 C 11 -1.264 8.182 4.656
117 2H4 C 11 2H4 C 11 -0.707 9.674 3.932
118 H5 C 11 H5 C 11 -2.219 11.524 3.379
119 H6 C 11 H6 C 11 -4.511 12.277 3.417
120 1H5* C 12 1H5* C 12 -11.186 10.272 4.787
121 2H5* C 12 2H5* C 12 -12.750 11.042 4.392
122 H4* C 12 H4* C 12 -13.465 9.231 5.630
123 H3* C 12 H3* C 12 -13.889 11.532 7.024
124 H2* C 12 H2* C 12 -11.780 11.471 8.174
125 2HO* C 12 2HO* C 12 -13.580 10.072 9.872
126 H1* C 12 H1* C 12 -12.203 8.530 8.782
127 1H4 C 12 1H4 C 12 -6.084 8.946 10.485
128 2H4 C 12 2H4 C 12 -5.709 9.960 9.113
129 H5 C 12 H5 C 12 -7.410 10.706 7.499
130 H6 C 12 H6 C 12 -9.760 10.601 6.938
131 1H5* U 13 1H5* U 13 -17.110 7.913 5.095
132 2H5* U 13 2H5* U 13 -15.559 7.477 5.841
133 H4* U 13 H4* U 13 -15.339 9.010 3.360
134 H3* U 13 H3* U 13 -17.259 7.252 2.902
135 H2* U 13 H2* U 13 -16.197 5.554 4.298
136 2HO* U 13 2HO* U 13 -15.412 3.948 2.708
137 H1* U 13 H1* U 13 -13.718 5.867 2.600
138 H3 U 13 H3 U 13 -12.220 2.360 5.231
139 H5 U 13 H5 U 13 -12.922 5.577 7.873
140 H6 U 13 H6 U 13 -13.922 6.758 6.067
141 1H5* C 14 1H5* C 14 -13.243 10.978 1.176
142 2H5* C 14 2H5* C 14 -13.593 10.328 -0.447
143 H4* C 14 H4* C 14 -11.223 10.552 -0.322
144 H3* C 14 H3* C 14 -11.913 7.658 0.280
145 H2* C 14 H2* C 14 -9.566 7.216 0.293
146 2HO* C 14 2HO* C 14 -8.086 8.772 -0.490
147 H1* C 14 H1* C 14 -8.926 9.667 1.513
148 1H4 C 14 1H4 C 14 -8.554 5.168 6.023
149 2H4 C 14 2H4 C 14 -10.231 5.452 6.414
150 H5 C 14 H5 C 14 -11.656 6.943 5.110
151 H6 C 14 H6 C 14 -11.760 8.412 3.203
152 1H5* A 15 1H5* A 15 -8.741 7.668 -2.666
153 2H5* A 15 2H5* A 15 -9.112 6.379 -3.834
154 H4* A 15 H4* A 15 -6.821 6.297 -2.674
155 H3* A 15 H3* A 15 -8.707 3.941 -2.630
156 H2* A 15 H2* A 15 -7.095 2.657 -1.400
157 2HO* A 15 2HO* A 15 -4.986 3.471 -1.079
158 H1* A 15 H1* A 15 -6.472 4.667 0.346
159 H8 A 15 H8 A 15 -10.047 4.546 -0.916
160 1H6 A 15 1H6 A 15 -11.173 1.154 4.211
161 2H6 A 15 2H6 A 15 -11.932 1.937 2.840
162 H2 A 15 H2 A 15 -6.758 1.931 3.844
163 1H5* C 16 1H5* C 16 -5.137 2.280 -3.972
164 2H5* C 16 2H5* C 16 -5.394 1.079 -5.267
165 H4* C 16 H4* C 16 -4.230 0.128 -3.299
166 H3* C 16 H3* C 16 -7.031 -0.915 -3.785
167 H2* C 16 H2* C 16 -6.627 -2.518 -2.047
168 2HO* C 16 2HO* C 16 -4.544 -2.718 -1.134
169 H1* C 16 H1* C 16 -5.428 -0.658 -0.385
170 1H4 C 16 1H4 C 16 -11.520 -0.780 1.460
171 2H4 C 16 2H4 C 16 -11.968 0.304 0.160
172 H5 C 16 H5 C 16 -10.381 1.038 -1.565
173 H6 C 16 H6 C 16 -8.096 0.867 -2.336
174 1H5* G 17 1H5* G 17 -4.245 -4.203 -3.917
175 2H5* G 17 2H5* G 17 -4.693 -5.411 -5.149
176 H4* G 17 H4* G 17 -4.288 -6.414 -2.920
177 H3* G 17 H3* G 17 -7.136 -6.545 -3.934
178 H2* G 17 H2* G 17 -7.672 -7.905 -2.023
179 2HO* G 17 2HO* G 17 -5.994 -8.542 -0.587
180 H1* G 17 H1* G 17 -6.392 -6.248 -0.268
181 H8 G 17 H8 G 17 -7.715 -3.896 -2.856
182 H1 G 17 H1 G 17 -12.314 -6.123 0.986
183 1H2 G 17 1H2 G 17 -11.560 -7.830 2.176
184 2H2 G 17 2H2 G 17 -9.916 -8.409 2.032
185 1H5* G 18 1H5* G 18 -6.314 -10.341 -2.762
186 2H5* G 18 2H5* G 18 -6.842 -11.555 -3.955
187 H4* G 18 H4* G 18 -7.752 -11.935 -1.662
188 H3* G 18 H3* G 18 -9.771 -11.264 -3.817
189 H2* G 18 H2* G 18 -11.493 -11.724 -2.224
190 2HO* G 18 2HO* G 18 -10.548 -13.611 -1.283
191 H1* G 18 H1* G 18 -10.112 -10.498 -0.115
192 H8 G 18 H8 G 18 -9.774 -8.280 -3.134
193 H1 G 18 H1 G 18 -15.510 -7.806 -0.324
194 1H2 G 18 1H2 G 18 -15.771 -9.426 1.161
195 2H2 G 18 2H2 G 18 -14.532 -10.624 1.457
196 1H5* G 19 1H5* G 19 -12.634 -14.760 -5.510
197 2H5* G 19 2H5* G 19 -12.674 -12.977 -5.524
198 H4* G 19 H4* G 19 -13.915 -14.707 -3.365
199 H3* G 19 H3* G 19 -15.206 -13.356 -5.749
200 H2* G 19 H2* G 19 -17.189 -13.125 -4.406
201 2HO* G 19 2HO* G 19 -17.309 -14.089 -2.366
202 H1* G 19 H1* G 19 -15.784 -12.185 -2.246
203 H8 G 19 H8 G 19 -14.436 -11.218 -5.730
204 H1 G 19 H1 G 19 -18.655 -7.109 -3.242
205 1H2 G 19 1H2 G 19 -19.484 -7.909 -1.373
206 2H2 G 19 2H2 G 19 -19.001 -9.459 -0.725
207 1H5* U 20 1H5* U 20 -16.975 -13.659 -8.377
208 2H5* U 20 2H5* U 20 -17.009 -13.798 -6.605
209 H4* U 20 H4* U 20 -19.101 -14.510 -8.620
210 H3* U 20 H3* U 20 -19.108 -13.309 -5.846
211 H2* U 20 H2* U 20 -21.371 -13.983 -5.594
212 2HO* U 20 2HO* U 20 -22.568 -14.718 -7.423
213 H1* U 20 H1* U 20 -21.029 -16.407 -6.987
214 H3 U 20 H3 U 20 -21.063 -18.817 -3.224
215 H5 U 20 H5 U 20 -19.103 -15.294 -2.027
216 H6 U 20 H6 U 20 -19.273 -14.495 -4.306
217 1H5* G 21 1H5* G 21 -22.112 -11.658 -6.528
218 2H5* G 21 2H5* G 21 -22.161 -9.879 -6.586
219 H4* G 21 H4* G 21 -23.769 -10.621 -4.963
220 H3* G 21 H3* G 21 -21.262 -9.533 -3.679
221 H2* G 21 H2* G 21 -22.238 -9.865 -1.539
222 2HO* G 21 2HO* G 21 -24.353 -9.142 -1.942
223 H1* G 21 H1* G 21 -23.357 -12.307 -2.137
224 H8 G 21 H8 G 21 -19.793 -11.351 -3.372
225 H1 G 21 H1 G 21 -19.994 -14.995 1.873
226 1H2 G 21 1H2 G 21 -22.089 -15.320 2.502
227 2H2 G 21 2H2 G 21 -23.441 -14.637 1.631
228 1H5* A 22 1H5* A 22 -23.742 -5.158 -0.949
229 2H5* A 22 2H5* A 22 -22.342 -6.239 -0.715
230 H4* A 22 H4* A 22 -25.214 -6.652 0.121
231 H3* A 22 H3* A 22 -22.560 -6.700 1.562
232 H2* A 22 H2* A 22 -23.519 -8.197 3.178
233 2HO* A 22 2HO* A 22 -25.672 -7.209 3.131
234 H1* A 22 H1* A 22 -24.544 -9.841 1.289
235 H8 A 22 H8 A 22 -21.480 -8.430 -0.336
236 1H6 A 22 1H6 A 22 -18.151 -12.496 2.902
237 2H6 A 22 2H6 A 22 -18.123 -11.326 1.602
238 H2 A 22 H2 A 22 -22.321 -12.518 4.503
239 1H5* C 23 1H5* C 23 -23.340 -6.316 4.212
240 2H5* C 23 2H5* C 23 -22.470 -5.351 5.426
241 H4* C 23 H4* C 23 -21.737 -7.763 5.196
242 H3* C 23 H3* C 23 -19.701 -5.587 4.674
243 H2* C 23 H2* C 23 -18.041 -7.314 4.541
244 2HO* C 23 2HO* C 23 -20.143 -9.062 5.404
245 H1* C 23 H1* C 23 -19.628 -8.965 2.995
246 1H4 C 23 1H4 C 23 -16.091 -5.586 -1.111
247 2H4 C 23 2H4 C 23 -17.292 -4.312 -1.112
248 H5 C 23 H5 C 23 -19.252 -4.328 0.371
249 H6 C 23 H6 C 23 -20.408 -5.566 2.101
250 1H5* C 24 1H5* C 24 -18.214 -8.226 7.641
251 2H5* C 24 2H5* C 24 -17.154 -7.408 8.819
252 H4* C 24 H4* C 24 -16.091 -9.348 7.623
253 H3* C 24 H3* C 24 -14.864 -6.617 7.167
254 H2* C 24 H2* C 24 -13.080 -7.746 6.025
255 2HO* C 24 2HO* C 24 -13.036 -10.055 6.002
256 H1* C 24 H1* C 24 -14.807 -9.424 4.653
257 1H4 C 24 1H4 C 24 -13.688 -4.472 0.772
258 2H4 C 24 2H4 C 24 -14.979 -3.570 1.531
259 H5 C 24 H5 C 24 -16.194 -4.384 3.499
260 H6 C 24 H6 C 24 -16.393 -6.204 5.070
261 1H5* G 25 1H5* G 25 -11.827 -9.130 8.399
262 2H5* G 25 2H5* G 25 -10.757 -8.368 9.603
263 H4* G 25 H4* G 25 -9.501 -9.322 7.703
264 H3* G 25 H3* G 25 -9.473 -6.301 7.884
265 H2* G 25 H2* G 25 -7.896 -6.291 6.080
266 2HO* G 25 2HO* G 25 -7.118 -8.312 5.257
267 H1* G 25 H1* G 25 -9.311 -8.100 4.586
268 H8 G 25 H8 G 25 -12.039 -6.163 6.209
269 H1 G 25 H1 G 25 -9.008 -2.721 1.744
270 1H2 G 25 1H2 G 25 -7.122 -3.721 1.164
271 2H2 G 25 2H2 G 25 -6.616 -5.240 1.869
272 1H5* U 26 1H5* U 26 -5.662 -6.928 7.306
273 2H5* U 26 2H5* U 26 -4.627 -6.022 8.441
274 H4* U 26 H4* U 26 -4.214 -5.531 6.004
275 H3* U 26 H3* U 26 -5.151 -3.255 7.767
276 H2* U 26 H2* U 26 -4.832 -1.783 5.915
277 2HO* U 26 2HO* U 26 -3.666 -2.430 4.093
278 H1* U 26 H1* U 26 -5.754 -3.646 4.020
279 H3 U 26 H3 U 26 -8.506 0.058 4.152
280 H5 U 26 H5 U 26 -10.001 -2.621 7.039
281 H6 U 26 H6 U 26 -7.999 -3.952 6.746
282 1H5* G 27 1H5* G 27 -1.442 -2.606 5.694
283 2H5* G 27 2H5* G 27 -0.293 -1.515 6.510
284 H4* G 27 H4* G 27 -1.376 -1.126 4.015
285 H3* G 27 H3* G 27 0.287 0.415 5.777
286 H2* G 27 H2* G 27 -1.243 2.077 6.260
287 2HO* G 27 2HO* G 27 0.049 3.159 4.695
288 H1* G 27 H1* G 27 -2.862 1.592 3.778
289 H8 G 27 H8 G 27 -3.540 1.016 7.523
290 H1 G 27 H1 G 27 -7.003 5.658 4.817
291 1H2 G 27 1H2 G 27 -6.354 5.996 2.734
292 2H2 G 27 2H2 G 27 -5.068 5.061 2.002
293 1H5* G 28 1H5* G 28 -1.736 3.456 0.796
294 2H5* G 28 2H5* G 28 -1.587 1.810 0.131
295 H4* G 28 H4* G 28 -0.423 3.394 -1.290
296 H3* G 28 H3* G 28 1.382 1.567 0.289
297 H2* G 28 H2* G 28 3.286 2.569 -0.714
298 2HO* G 28 2HO* G 28 3.047 4.066 -2.422
299 H1* G 28 H1* G 28 2.438 5.122 -0.422
300 H8 G 28 H8 G 28 1.141 3.287 2.608
301 H1 G 28 H1 G 28 7.347 4.737 3.012
302 1H2 G 28 1H2 G 28 8.104 5.419 1.055
303 2H2 G 28 2H2 G 28 7.075 5.528 -0.356
304 1H5* U 29 1H5* U 29 2.715 1.587 -3.910
305 2H5* U 29 2H5* U 29 3.189 -0.080 -4.337
306 H4* U 29 H4* U 29 4.947 1.627 -4.817
307 H3* U 29 H3* U 29 5.596 -0.434 -2.694
308 H2* U 29 H2* U 29 7.798 0.449 -2.645
309 2HO* U 29 2HO* U 29 8.542 1.849 -4.261
310 H1* U 29 H1* U 29 6.953 3.098 -3.000
311 H3 U 29 H3 U 29 9.007 2.632 1.156
312 H5 U 29 H5 U 29 5.040 1.298 1.680
313 H6 U 29 H6 U 29 4.748 1.444 -0.707
314 1H5* C 30 1H5* C 30 8.814 -0.498 -5.489
315 2H5* C 30 2H5* C 30 9.554 -2.121 -5.529
316 H4* C 30 H4* C 30 11.023 -0.143 -4.764
317 H3* C 30 H3* C 30 10.712 -2.625 -3.065
318 H2* C 30 H2* C 30 12.309 -1.721 -1.540
319 2HO* C 30 2HO* C 30 13.507 0.151 -2.093
320 H1* C 30 H1* C 30 11.319 0.874 -1.704
321 1H4 C 30 1H4 C 30 8.790 -1.814 3.539
322 2H4 C 30 2H4 C 30 7.358 -2.194 2.613
323 H5 C 30 H5 C 30 7.200 -1.851 0.195
324 H6 C 30 H6 C 30 8.390 -1.085 -1.759
325 1H5* C 31 1H5* C 31 14.721 -2.107 -2.912
326 2H5* C 31 2H5* C 31 15.530 -3.576 -3.522
327 H4* C 31 H4* C 31 16.503 -3.065 -1.398
328 H3* C 31 H3* C 31 14.458 -5.279 -1.120
329 H2* C 31 H2* C 31 15.157 -5.515 1.162
330 2HO* C 31 2HO* C 31 17.451 -5.089 0.685
331 H1* C 31 H1* C 31 15.137 -2.804 1.622
332 1H4 C 31 1H4 C 31 9.289 -4.798 3.204
333 2H4 C 31 2H4 C 31 8.769 -4.647 1.540
334 H5 C 31 H5 C 31 10.307 -4.086 -0.290
335 H6 C 31 H6 C 31 12.606 -3.571 -0.828
336 1H5* U 32 1H5* U 32 17.315 -7.157 1.010
337 2H5* U 32 2H5* U 32 17.836 -8.524 -0.005
338 H4* U 32 H4* U 32 17.478 -9.479 2.102
339 H3* U 32 H3* U 32 14.926 -9.832 0.519
340 H2* U 32 H2* U 32 14.109 -11.141 2.325
341 2HO* U 32 2HO* U 32 15.472 -11.691 4.067
342 H1* U 32 H1* U 32 14.934 -9.416 4.233
343 H3 U 32 H3 U 32 10.438 -9.209 3.868
344 H5 U 32 H5 U 32 11.852 -6.491 1.020
345 H6 U 32 H6 U 32 14.121 -7.357 1.412
346 1H5* C 33 1H5* C 33 16.027 -13.595 2.273
347 2H5* C 33 2H5* C 33 15.416 -14.939 1.278
348 H4* C 33 H4* C 33 14.603 -14.879 3.686
349 H3* C 33 H3* C 33 12.523 -14.728 1.487
350 H2* C 33 H2* C 33 10.883 -14.983 3.207
351 2HO* C 33 2HO* C 33 11.521 -15.406 5.359
352 H1* C 33 H1* C 33 12.107 -13.183 4.895
353 1H4 C 33 1H4 C 33 7.737 -9.903 1.583
354 2H4 C 33 2H4 C 33 8.916 -9.579 0.329
355 H5 C 33 H5 C 33 11.175 -10.567 0.331
356 H6 C 33 H6 C 33 12.665 -12.044 1.529
357 1H5* C 34 1H5* C 34 11.472 -17.810 4.328
358 2H5* C 34 2H5* C 34 10.727 -19.158 3.439
359 H4* C 34 H4* C 34 9.363 -18.216 5.351
360 H3* C 34 H3* C 34 8.181 -18.156 2.563
361 H2* C 34 H2* C 34 6.130 -17.410 3.541
362 2HO* C 34 2HO* C 34 6.364 -18.878 5.428
363 H1* C 34 H1* C 34 7.386 -15.672 5.322
364 1H4 C 34 1H4 C 34 5.576 -12.201 0.261
365 2H4 C 34 2H4 C 34 7.138 -12.477 -0.480
366 H5 C 34 H5 C 34 8.820 -14.001 0.473
367 H6 C 34 H6 C 34 9.287 -15.511 2.299
Start of MODEL 11
1 1H5* G 1 1H5* G 1 -2.221 -9.463 2.363
2 2H5* G 1 2H5* G 1 -0.969 -9.712 1.146
3 H4* G 1 H4* G 1 -2.010 -11.834 3.037
4 H3* G 1 H3* G 1 0.543 -10.207 3.097
5 H2* G 1 H2* G 1 1.627 -12.092 4.085
6 2HO* G 1 2HO* G 1 0.457 -13.872 4.802
7 H1* G 1 H1* G 1 0.521 -13.896 2.357
8 H8 G 1 H8 G 1 1.169 -10.818 0.318
9 H1 G 1 H1 G 1 6.519 -14.088 1.568
10 1H2 G 1 1H2 G 1 6.133 -15.629 3.102
11 2H2 G 1 2H2 G 1 4.551 -15.863 3.814
12 1H5* G 2 1H5* G 2 0.267 -11.907 7.080
13 2H5* G 2 2H5* G 2 0.971 -10.734 8.227
14 H4* G 2 H4* G 2 2.042 -13.062 8.129
15 H3* G 2 H3* G 2 3.747 -10.602 7.658
16 H2* G 2 H2* G 2 5.653 -12.043 7.630
17 2HO* G 2 2HO* G 2 5.451 -14.237 8.245
18 H1* G 2 H1* G 2 4.363 -14.037 6.169
19 H8 G 2 H8 G 2 3.286 -11.042 4.333
20 H1 G 2 H1 G 2 9.539 -12.089 3.501
21 1H2 G 2 1H2 G 2 10.278 -13.557 4.981
22 2H2 G 2 2H2 G 2 9.229 -14.280 6.181
23 1H5* A 3 1H5* A 3 5.809 -12.560 11.169
24 2H5* A 3 2H5* A 3 5.959 -11.192 12.305
25 H4* A 3 H4* A 3 8.105 -12.296 12.108
26 H3* A 3 H3* A 3 8.040 -9.681 10.581
27 H2* A 3 H2* A 3 10.411 -9.961 10.218
28 2HO* A 3 2HO* A 3 11.474 -11.773 11.160
29 H1* A 3 H1* A 3 10.122 -12.553 9.401
30 H8 A 3 H8 A 3 6.979 -10.838 8.266
31 1H6 A 3 1H6 A 3 10.234 -8.631 3.497
32 2H6 A 3 2H6 A 3 8.634 -8.836 4.172
33 H2 A 3 H2 A 3 13.084 -10.461 6.442
34 1H5* G 4 1H5* G 4 11.322 -9.214 13.136
35 2H5* G 4 2H5* G 4 11.362 -7.585 13.854
36 H4* G 4 H4* G 4 13.482 -8.150 12.729
37 H3* G 4 H3* G 4 11.868 -5.998 11.335
38 H2* G 4 H2* G 4 13.756 -5.684 9.877
39 2HO* G 4 2HO* G 4 15.421 -6.034 11.470
40 H1* G 4 H1* G 4 14.045 -8.367 9.429
41 H8 G 4 H8 G 4 10.359 -7.922 9.839
42 H1 G 4 H1 G 4 12.487 -5.722 4.232
43 1H2 G 4 1H2 G 4 14.694 -5.617 4.241
44 2H2 G 4 2H2 G 4 15.642 -6.098 5.628
45 1H5* G 5 1H5* G 5 15.730 -3.659 12.010
46 2H5* G 5 2H5* G 5 15.048 -2.138 12.647
47 H4* G 5 H4* G 5 16.609 -1.851 10.697
48 H3* G 5 H3* G 5 13.733 -0.974 10.319
49 H2* G 5 H2* G 5 14.383 -0.064 8.191
50 2HO* G 5 2HO* G 5 16.467 0.736 8.801
51 H1* G 5 H1* G 5 15.809 -2.297 7.475
52 H8 G 5 H8 G 5 12.949 -3.726 9.403
53 H1 G 5 H1 G 5 11.135 -1.576 3.660
54 1H2 G 5 1H2 G 5 12.746 -0.368 2.742
55 2H2 G 5 2H2 G 5 14.268 -0.079 3.553
56 1H5* A 6 1H5* A 6 16.406 2.715 9.489
57 2H5* A 6 2H5* A 6 15.332 4.094 9.857
58 H4* A 6 H4* A 6 16.396 3.896 7.481
59 H3* A 6 H3* A 6 13.435 4.387 7.889
60 H2* A 6 H2* A 6 13.245 4.640 5.520
61 2HO* A 6 2HO* A 6 15.138 4.668 4.216
62 H1* A 6 H1* A 6 14.866 2.493 4.958
63 H8 A 6 H8 A 6 12.794 1.431 7.905
64 1H6 A 6 1H6 A 6 8.189 0.320 3.943
65 2H6 A 6 2H6 A 6 8.759 0.105 5.580
66 H2 A 6 H2 A 6 11.409 2.581 1.768
67 1H5* C 7 1H5* C 7 14.798 7.309 5.048
68 2H5* C 7 2H5* C 7 13.815 8.785 5.218
69 H4* C 7 H4* C 7 13.753 7.622 2.945
70 H3* C 7 H3* C 7 11.157 8.044 4.441
71 H2* C 7 H2* C 7 10.015 7.289 2.460
72 2HO* C 7 2HO* C 7 12.628 7.294 1.264
73 H1* C 7 H1* C 7 11.718 5.156 2.120
74 1H4 C 7 1H4 C 7 6.837 3.123 5.714
75 2H4 C 7 2H4 C 7 7.769 3.466 7.153
76 H5 C 7 H5 C 7 9.948 4.595 7.093
77 H6 C 7 H6 C 7 11.591 5.595 5.637
78 1H5* A 8 1H5* A 8 10.275 9.803 0.719
79 2H5* A 8 2H5* A 8 9.339 11.296 0.993
80 H4* A 8 H4* A 8 8.207 9.598 -0.471
81 H3* A 8 H3* A 8 6.846 10.331 2.127
82 H2* A 8 H2* A 8 4.960 9.009 1.405
83 2HO* A 8 2HO* A 8 6.445 8.704 -1.024
84 H1* A 8 H1* A 8 6.485 6.915 0.643
85 H8 A 8 H8 A 8 8.484 8.090 3.445
86 1H6 A 8 1H6 A 8 4.191 5.619 7.285
87 2H6 A 8 2H6 A 8 5.799 6.294 7.188
88 H2 A 8 H2 A 8 2.484 5.773 3.154
89 1H5* U 9 1H5* U 9 4.102 10.235 -0.320
90 2H5* U 9 2H5* U 9 3.238 11.745 -0.680
91 H4* U 9 H4* U 9 1.662 9.931 -0.409
92 H3* U 9 H3* U 9 1.637 12.179 1.498
93 H2* U 9 H2* U 9 0.789 11.083 3.272
94 2HO* U 9 2HO* U 9 -0.842 9.535 1.540
95 H1* U 9 H1* U 9 0.945 8.325 2.450
96 H3 U 9 H3 U 9 1.981 8.328 6.841
97 H5 U 9 H5 U 9 5.316 10.038 4.964
98 H6 U 9 H6 U 9 4.105 10.058 2.912
99 1H5* U 10 1H5* U 10 -1.005 14.866 2.340
100 2H5* U 10 2H5* U 10 -0.887 13.894 3.824
101 H4* U 10 H4* U 10 -3.432 14.302 2.228
102 H3* U 10 H3* U 10 -2.567 16.396 3.557
103 H2* U 10 H2* U 10 -1.763 15.328 5.517
104 2HO* U 10 2HO* U 10 -3.341 16.816 6.281
105 H1* U 10 H1* U 10 -4.009 13.467 6.014
106 H3 U 10 H3 U 10 0.039 12.464 8.389
107 H5 U 10 H5 U 10 -0.104 10.394 4.714
108 H6 U 10 H6 U 10 -1.935 11.712 4.102
109 1H5* C 11 1H5* C 11 -7.907 16.776 3.789
110 2H5* C 11 2H5* C 11 -6.957 15.291 4.070
111 H4* C 11 H4* C 11 -9.349 15.730 2.298
112 H3* C 11 H3* C 11 -9.171 14.404 4.713
113 H2* C 11 H2* C 11 -7.586 12.799 3.946
114 2HO* C 11 2HO* C 11 -9.434 11.637 4.698
115 H1* C 11 H1* C 11 -9.184 12.554 1.384
116 1H4 C 11 1H4 C 11 -4.147 9.267 -0.686
117 2H4 C 11 2H4 C 11 -3.098 9.994 0.509
118 H5 C 11 H5 C 11 -3.885 11.664 2.124
119 H6 C 11 H6 C 11 -5.790 12.944 2.870
120 1H5* C 12 1H5* C 12 -12.581 12.738 2.300
121 2H5* C 12 2H5* C 12 -14.056 13.752 2.378
122 H4* C 12 H4* C 12 -14.523 11.330 2.148
123 H3* C 12 H3* C 12 -16.037 12.916 3.719
124 H2* C 12 H2* C 12 -14.604 12.693 5.649
125 2HO* C 12 2HO* C 12 -15.716 11.130 7.058
126 H1* C 12 H1* C 12 -14.582 9.688 5.243
127 1H4 C 12 1H4 C 12 -10.241 10.543 9.894
128 2H4 C 12 2H4 C 12 -9.094 11.054 8.677
129 H5 C 12 H5 C 12 -9.716 11.399 6.324
130 H6 C 12 H6 C 12 -11.538 11.331 4.745
131 1H5* U 13 1H5* U 13 -17.885 7.724 1.369
132 2H5* U 13 2H5* U 13 -16.986 8.128 2.850
133 H4* U 13 H4* U 13 -16.516 9.850 0.493
134 H3* U 13 H3* U 13 -16.317 7.235 -0.223
135 H2* U 13 H2* U 13 -14.995 6.634 1.707
136 2HO* U 13 2HO* U 13 -13.900 6.044 -0.308
137 H1* U 13 H1* U 13 -13.295 9.098 1.155
138 H3 U 13 H3 U 13 -10.902 8.399 5.086
139 H5 U 13 H5 U 13 -14.823 6.967 5.860
140 H6 U 13 H6 U 13 -15.370 7.477 3.660
141 1H5* C 14 1H5* C 14 -12.430 9.665 -0.990
142 2H5* C 14 2H5* C 14 -12.002 9.549 -2.714
143 H4* C 14 H4* C 14 -9.894 9.503 -1.810
144 H3* C 14 H3* C 14 -10.742 6.612 -1.490
145 H2* C 14 H2* C 14 -8.543 6.199 -0.643
146 2HO* C 14 2HO* C 14 -7.809 8.855 -1.375
147 H1* C 14 H1* C 14 -8.427 8.708 0.688
148 1H4 C 14 1H4 C 14 -9.456 4.442 5.321
149 2H4 C 14 2H4 C 14 -11.152 4.366 4.894
150 H5 C 14 H5 C 14 -12.100 5.529 2.950
151 H6 C 14 H6 C 14 -11.562 6.969 1.097
152 1H5* A 15 1H5* A 15 -7.174 6.428 -3.530
153 2H5* A 15 2H5* A 15 -7.203 5.258 -4.876
154 H4* A 15 H4* A 15 -5.334 4.801 -3.384
155 H3* A 15 H3* A 15 -7.579 2.781 -3.227
156 H2* A 15 H2* A 15 -6.264 1.485 -1.696
157 2HO* A 15 2HO* A 15 -4.074 2.062 -1.310
158 H1* A 15 H1* A 15 -5.414 3.689 -0.255
159 H8 A 15 H8 A 15 -8.967 4.315 -1.230
160 1H6 A 15 1H6 A 15 -10.507 0.766 3.673
161 2H6 A 15 2H6 A 15 -11.134 1.858 2.456
162 H2 A 15 H2 A 15 -6.077 0.427 2.887
163 1H5* C 16 1H5* C 16 -4.198 0.465 -4.139
164 2H5* C 16 2H5* C 16 -4.561 -0.805 -5.341
165 H4* C 16 H4* C 16 -3.608 -1.683 -3.213
166 H3* C 16 H3* C 16 -6.448 -2.483 -3.882
167 H2* C 16 H2* C 16 -6.402 -3.940 -1.990
168 2HO* C 16 2HO* C 16 -4.444 -4.315 -0.869
169 H1* C 16 H1* C 16 -5.078 -2.114 -0.372
170 1H4 C 16 1H4 C 16 -11.289 -1.573 0.992
171 2H4 C 16 2H4 C 16 -11.438 -0.307 -0.209
172 H5 C 16 H5 C 16 -9.606 0.318 -1.726
173 H6 C 16 H6 C 16 -7.319 -0.165 -2.343
174 1H5* G 17 1H5* G 17 -4.070 -6.002 -3.278
175 2H5* G 17 2H5* G 17 -4.411 -7.213 -4.541
176 H4* G 17 H4* G 17 -4.482 -8.296 -2.388
177 H3* G 17 H3* G 17 -7.250 -7.830 -3.519
178 H2* G 17 H2* G 17 -8.148 -9.056 -1.654
179 2HO* G 17 2HO* G 17 -6.719 -10.074 -0.176
180 H1* G 17 H1* G 17 -6.596 -7.744 0.186
181 H8 G 17 H8 G 17 -7.510 -5.380 -2.655
182 H1 G 17 H1 G 17 -12.062 -5.952 1.792
183 1H2 G 17 1H2 G 17 -11.577 -7.605 3.182
184 2H2 G 17 2H2 G 17 -10.118 -8.556 3.019
185 1H5* G 18 1H5* G 18 -7.274 -11.823 -2.566
186 2H5* G 18 2H5* G 18 -7.994 -12.814 -3.862
187 H4* G 18 H4* G 18 -9.109 -13.197 -1.706
188 H3* G 18 H3* G 18 -10.794 -11.699 -3.728
189 H2* G 18 H2* G 18 -12.633 -11.892 -2.205
190 2HO* G 18 2HO* G 18 -12.201 -14.086 -1.544
191 H1* G 18 H1* G 18 -11.054 -11.344 0.033
192 H8 G 18 H8 G 18 -10.117 -9.092 -2.889
193 H1 G 18 H1 G 18 -15.223 -7.062 0.395
194 1H2 G 18 1H2 G 18 -15.875 -8.609 1.837
195 2H2 G 18 2H2 G 18 -15.051 -10.145 1.987
196 1H5* G 19 1H5* G 19 -14.645 -14.660 -5.296
197 2H5* G 19 2H5* G 19 -14.440 -12.895 -5.474
198 H4* G 19 H4* G 19 -15.546 -14.155 -2.960
199 H3* G 19 H3* G 19 -17.078 -13.183 -5.381
200 H2* G 19 H2* G 19 -18.837 -12.543 -3.872
201 2HO* G 19 2HO* G 19 -18.686 -13.099 -1.652
202 H1* G 19 H1* G 19 -17.071 -11.431 -2.051
203 H8 G 19 H8 G 19 -16.763 -11.194 -5.939
204 H1 G 19 H1 G 19 -19.016 -5.967 -3.008
205 1H2 G 19 1H2 G 19 -19.199 -6.325 -0.842
206 2H2 G 19 2H2 G 19 -18.762 -7.850 -0.107
207 1H5* U 20 1H5* U 20 -18.809 -12.911 -7.675
208 2H5* U 20 2H5* U 20 -19.251 -12.832 -5.951
209 H4* U 20 H4* U 20 -20.903 -13.672 -8.319
210 H3* U 20 H3* U 20 -21.426 -12.052 -5.811
211 H2* U 20 H2* U 20 -23.745 -12.494 -6.067
212 2HO* U 20 2HO* U 20 -23.844 -12.102 -8.352
213 H1* U 20 H1* U 20 -23.348 -15.123 -7.002
214 H3 U 20 H3 U 20 -24.771 -16.784 -3.113
215 H5 U 20 H5 U 20 -22.412 -13.529 -1.887
216 H6 U 20 H6 U 20 -21.921 -13.085 -4.222
217 1H5* G 21 1H5* G 21 -22.157 -7.551 -5.848
218 2H5* G 21 2H5* G 21 -20.985 -8.012 -4.585
219 H4* G 21 H4* G 21 -23.956 -8.292 -4.645
220 H3* G 21 H3* G 21 -21.885 -7.730 -2.514
221 H2* G 21 H2* G 21 -23.419 -8.477 -0.859
222 2HO* G 21 2HO* G 21 -25.320 -7.494 -1.714
223 H1* G 21 H1* G 21 -24.319 -10.628 -2.280
224 H8 G 21 H8 G 21 -20.562 -9.977 -2.663
225 H1 G 21 H1 G 21 -22.111 -13.700 2.296
226 1H2 G 21 1H2 G 21 -24.307 -13.760 2.552
227 2H2 G 21 2H2 G 21 -25.391 -12.874 1.505
228 1H5* A 22 1H5* A 22 -25.172 -5.161 -1.215
229 2H5* A 22 2H5* A 22 -24.605 -3.950 -0.034
230 H4* A 22 H4* A 22 -26.083 -5.850 0.854
231 H3* A 22 H3* A 22 -23.361 -5.300 2.040
232 H2* A 22 H2* A 22 -23.730 -7.024 3.646
233 2HO* A 22 2HO* A 22 -25.973 -6.473 4.057
234 H1* A 22 H1* A 22 -24.916 -8.749 1.826
235 H8 A 22 H8 A 22 -22.081 -7.209 -0.020
236 1H6 A 22 1H6 A 22 -18.269 -11.123 2.834
237 2H6 A 22 2H6 A 22 -18.429 -9.955 1.543
238 H2 A 22 H2 A 22 -22.237 -11.332 4.865
239 1H5* C 23 1H5* C 23 -21.213 -3.126 3.840
240 2H5* C 23 2H5* C 23 -21.994 -4.040 2.535
241 H4* C 23 H4* C 23 -22.138 -5.638 4.864
242 H3* C 23 H3* C 23 -19.453 -4.311 4.531
243 H2* C 23 H2* C 23 -18.308 -6.383 4.809
244 2HO* C 23 2HO* C 23 -19.474 -8.273 5.384
245 H1* C 23 H1* C 23 -19.864 -7.788 3.118
246 1H4 C 23 1H4 C 23 -15.404 -4.923 -0.492
247 2H4 C 23 2H4 C 23 -16.567 -3.682 -0.896
248 H5 C 23 H5 C 23 -18.782 -3.536 0.147
249 H6 C 23 H6 C 23 -20.278 -4.553 1.747
250 1H5* C 24 1H5* C 24 -18.858 -6.719 7.800
251 2H5* C 24 2H5* C 24 -17.932 -5.904 9.089
252 H4* C 24 H4* C 24 -16.853 -7.993 8.272
253 H3* C 24 H3* C 24 -15.356 -5.429 7.676
254 H2* C 24 H2* C 24 -13.534 -6.808 6.940
255 2HO* C 24 2HO* C 24 -13.587 -9.053 7.253
256 H1* C 24 H1* C 24 -15.195 -8.523 5.535
257 1H4 C 24 1H4 C 24 -13.153 -4.140 1.347
258 2H4 C 24 2H4 C 24 -14.483 -3.094 1.786
259 H5 C 24 H5 C 24 -16.043 -3.611 3.607
260 H6 C 24 H6 C 24 -16.598 -5.213 5.322
261 1H5* G 25 1H5* G 25 -12.713 -7.924 9.659
262 2H5* G 25 2H5* G 25 -11.754 -7.061 10.889
263 H4* G 25 H4* G 25 -10.318 -8.324 9.348
264 H3* G 25 H3* G 25 -10.149 -5.317 9.048
265 H2* G 25 H2* G 25 -8.388 -5.642 7.471
266 2HO* G 25 2HO* G 25 -8.507 -8.409 8.210
267 H1* G 25 H1* G 25 -9.642 -7.730 6.176
268 H8 G 25 H8 G 25 -12.352 -5.272 7.037
269 H1 G 25 H1 G 25 -8.774 -3.379 2.070
270 1H2 G 25 1H2 G 25 -6.964 -4.650 1.919
271 2H2 G 25 2H2 G 25 -6.646 -5.963 3.028
272 1H5* U 26 1H5* U 26 -6.179 -6.388 9.351
273 2H5* U 26 2H5* U 26 -5.252 -5.158 10.250
274 H4* U 26 H4* U 26 -4.551 -5.542 7.836
275 H3* U 26 H3* U 26 -5.431 -2.773 8.687
276 H2* U 26 H2* U 26 -4.812 -1.990 6.515
277 2HO* U 26 2HO* U 26 -3.638 -3.342 5.090
278 H1* U 26 H1* U 26 -5.795 -4.250 5.198
279 H3 U 26 H3 U 26 -8.336 -0.665 3.933
280 H5 U 26 H5 U 26 -9.970 -1.936 7.599
281 H6 U 26 H6 U 26 -8.078 -3.425 7.850
282 1H5* G 27 1H5* G 27 -1.648 -2.776 6.801
283 2H5* G 27 2H5* G 27 -0.524 -1.516 7.365
284 H4* G 27 H4* G 27 -1.323 -1.705 4.825
285 H3* G 27 H3* G 27 0.015 0.301 6.196
286 H2* G 27 H2* G 27 -1.927 1.492 6.821
287 2HO* G 27 2HO* G 27 -0.656 2.916 5.496
288 H1* G 27 H1* G 27 -3.122 0.969 4.100
289 H8 G 27 H8 G 27 -4.438 0.109 7.588
290 H1 G 27 H1 G 27 -7.643 4.755 4.579
291 1H2 G 27 1H2 G 27 -6.613 5.293 2.696
292 2H2 G 27 2H2 G 27 -5.140 4.501 2.187
293 1H5* G 28 1H5* G 28 -1.511 1.752 1.301
294 2H5* G 28 2H5* G 28 -1.770 0.321 0.272
295 H4* G 28 H4* G 28 -0.813 1.708 -1.261
296 H3* G 28 H3* G 28 1.458 0.323 0.140
297 H2* G 28 H2* G 28 3.091 1.702 -0.881
298 2HO* G 28 2HO* G 28 2.510 3.158 -2.552
299 H1* G 28 H1* G 28 1.856 4.037 -0.491
300 H8 G 28 H8 G 28 0.692 2.041 2.469
301 H1 G 28 H1 G 28 6.736 4.021 3.065
302 1H2 G 28 1H2 G 28 7.489 4.795 1.139
303 2H2 G 28 2H2 G 28 6.498 4.831 -0.303
304 1H5* U 29 1H5* U 29 2.662 0.136 -3.994
305 2H5* U 29 2H5* U 29 3.464 -1.428 -4.313
306 H4* U 29 H4* U 29 4.875 0.609 -4.768
307 H3* U 29 H3* U 29 5.833 -1.306 -2.627
308 H2* U 29 H2* U 29 7.830 -0.022 -2.519
309 2HO* U 29 2HO* U 29 8.277 1.574 -4.097
310 H1* U 29 H1* U 29 6.507 2.421 -2.847
311 H3 U 29 H3 U 29 8.541 2.065 1.354
312 H5 U 29 H5 U 29 4.714 0.336 1.730
313 H6 U 29 H6 U 29 4.483 0.484 -0.664
314 1H5* C 30 1H5* C 30 9.098 -0.736 -5.269
315 2H5* C 30 2H5* C 30 10.140 -2.185 -5.285
316 H4* C 30 H4* C 30 11.147 0.045 -4.433
317 H3* C 30 H3* C 30 11.307 -2.508 -2.821
318 H2* C 30 H2* C 30 12.619 -1.352 -1.199
319 2HO* C 30 2HO* C 30 12.723 0.781 -3.107
320 H1* C 30 H1* C 30 11.118 0.985 -1.319
321 1H4 C 30 1H4 C 30 9.036 -2.458 3.687
322 2H4 C 30 2H4 C 30 7.688 -2.982 2.707
323 H5 C 30 H5 C 30 7.502 -2.483 0.317
324 H6 C 30 H6 C 30 8.581 -1.405 -1.551
325 1H5* C 31 1H5* C 31 15.157 -1.185 -2.452
326 2H5* C 31 2H5* C 31 16.239 -2.441 -3.110
327 H4* C 31 H4* C 31 17.053 -1.871 -0.932
328 H3* C 31 H3* C 31 15.478 -4.456 -0.851
329 H2* C 31 H2* C 31 16.126 -4.688 1.445
330 2HO* C 31 2HO* C 31 17.574 -3.115 2.359
331 H1* C 31 H1* C 31 15.568 -2.070 2.056
332 1H4 C 31 1H4 C 31 10.172 -5.261 3.226
333 2H4 C 31 2H4 C 31 9.672 -5.048 1.563
334 H5 C 31 H5 C 31 11.123 -4.044 -0.145
335 H6 C 31 H6 C 31 13.297 -3.071 -0.540
336 1H5* U 32 1H5* U 32 18.524 -5.907 1.346
337 2H5* U 32 2H5* U 32 19.357 -7.058 0.271
338 H4* U 32 H4* U 32 19.078 -8.248 2.267
339 H3* U 32 H3* U 32 16.732 -8.927 0.483
340 H2* U 32 H2* U 32 16.059 -10.505 2.118
341 2HO* U 32 2HO* U 32 17.383 -10.937 3.926
342 H1* U 32 H1* U 32 16.404 -8.842 4.203
343 H3 U 32 H3 U 32 11.987 -9.342 3.498
344 H5 U 32 H5 U 32 13.104 -6.248 0.910
345 H6 U 32 H6 U 32 15.455 -6.742 1.439
346 1H5* C 33 1H5* C 33 18.438 -12.583 2.048
347 2H5* C 33 2H5* C 33 18.091 -13.934 0.941
348 H4* C 33 H4* C 33 17.195 -14.153 3.322
349 H3* C 33 H3* C 33 15.219 -14.257 1.026
350 H2* C 33 H2* C 33 13.579 -14.891 2.643
351 2HO* C 33 2HO* C 33 15.753 -14.993 4.498
352 H1* C 33 H1* C 33 14.380 -12.996 4.474
353 1H4 C 33 1H4 C 33 9.647 -10.359 1.091
354 2H4 C 33 2H4 C 33 10.799 -9.782 -0.094
355 H5 C 33 H5 C 33 13.191 -10.369 -0.029
356 H6 C 33 H6 C 33 14.869 -11.620 1.179
357 1H5* C 34 1H5* C 34 14.620 -17.626 3.672
358 2H5* C 34 2H5* C 34 14.151 -19.032 2.689
359 H4* C 34 H4* C 34 12.571 -18.432 4.577
360 H3* C 34 H3* C 34 11.508 -18.435 1.741
361 H2* C 34 H2* C 34 9.323 -18.092 2.648
362 2HO* C 34 2HO* C 34 9.039 -18.171 4.960
363 H1* C 34 H1* C 34 10.193 -16.263 4.568
364 1H4 C 34 1H4 C 34 8.017 -12.870 -0.401
365 2H4 C 34 2H4 C 34 9.624 -12.862 -1.096
366 H5 C 34 H5 C 34 11.497 -14.148 -0.149
367 H6 C 34 H6 C 34 12.143 -15.651 1.627
Start of MODEL 12
1 1H5* G 1 1H5* G 1 -0.278 -12.379 -2.952
2 2H5* G 1 2H5* G 1 1.346 -12.365 -3.641
3 H4* G 1 H4* G 1 0.070 -14.717 -2.226
4 H3* G 1 H3* G 1 2.131 -12.713 -1.275
5 H2* G 1 H2* G 1 3.090 -14.451 0.057
6 2HO* G 1 2HO* G 1 2.056 -16.424 0.324
7 H1* G 1 H1* G 1 3.003 -16.305 -1.943
8 H8 G 1 H8 G 1 3.769 -13.063 -3.653
9 H1 G 1 H1 G 1 8.813 -15.411 -0.507
10 1H2 G 1 1H2 G 1 8.185 -17.064 0.819
11 2H2 G 1 2H2 G 1 6.523 -17.602 0.916
12 1H5* G 2 1H5* G 2 0.849 -14.692 2.296
13 2H5* G 2 2H5* G 2 0.824 -13.507 3.630
14 H4* G 2 H4* G 2 2.311 -15.558 3.949
15 H3* G 2 H3* G 2 3.552 -12.798 4.097
16 H2* G 2 H2* G 2 5.581 -13.857 4.792
17 2HO* G 2 2HO* G 2 5.602 -16.084 5.307
18 H1* G 2 H1* G 2 5.329 -15.950 2.966
19 H8 G 2 H8 G 2 4.400 -13.112 0.836
20 H1 G 2 H1 G 2 10.588 -12.822 2.419
21 1H2 G 2 1H2 G 2 11.023 -14.206 4.087
22 2H2 G 2 2H2 G 2 9.787 -15.215 4.807
23 1H5* A 3 1H5* A 3 4.851 -14.704 7.654
24 2H5* A 3 2H5* A 3 4.351 -13.650 9.002
25 H4* A 3 H4* A 3 6.658 -14.257 9.333
26 H3* A 3 H3* A 3 6.430 -11.437 8.257
27 H2* A 3 H2* A 3 8.800 -11.223 8.654
28 2HO* A 3 2HO* A 3 9.928 -12.924 9.688
29 H1* A 3 H1* A 3 9.354 -13.663 7.512
30 H8 A 3 H8 A 3 6.508 -12.221 5.524
31 1H6 A 3 1H6 A 3 10.708 -8.851 2.482
32 2H6 A 3 2H6 A 3 9.040 -9.371 2.525
33 H2 A 3 H2 A 3 12.709 -10.730 6.034
34 1H5* G 4 1H5* G 4 8.865 -11.259 11.499
35 2H5* G 4 2H5* G 4 8.440 -9.934 12.610
36 H4* G 4 H4* G 4 10.818 -9.874 12.069
37 H3* G 4 H3* G 4 9.252 -7.660 10.727
38 H2* G 4 H2* G 4 11.362 -6.746 10.038
39 2HO* G 4 2HO* G 4 13.313 -7.727 10.785
40 H1* G 4 H1* G 4 12.356 -9.211 9.274
41 H8 G 4 H8 G 4 8.695 -9.128 8.376
42 H1 G 4 H1 G 4 12.375 -5.906 4.239
43 1H2 G 4 1H2 G 4 14.413 -5.662 5.060
44 2H2 G 4 2H2 G 4 14.871 -6.305 6.621
45 1H5* G 5 1H5* G 5 12.181 -5.705 13.179
46 2H5* G 5 2H5* G 5 11.548 -4.178 13.849
47 H4* G 5 H4* G 5 13.661 -3.912 12.543
48 H3* G 5 H3* G 5 11.188 -2.562 11.426
49 H2* G 5 H2* G 5 12.572 -1.573 9.758
50 2HO* G 5 2HO* G 5 14.834 -1.667 9.909
51 H1* G 5 H1* G 5 14.076 -3.873 9.343
52 H8 G 5 H8 G 5 10.497 -4.976 9.673
53 H1 G 5 H1 G 5 11.759 -2.282 4.004
54 1H2 G 5 1H2 G 5 13.733 -1.280 4.070
55 2H2 G 5 2H2 G 5 14.740 -1.287 5.498
56 1H5* A 6 1H5* A 6 14.175 0.512 11.561
57 2H5* A 6 2H5* A 6 13.374 2.084 11.824
58 H4* A 6 H4* A 6 14.707 1.666 9.611
59 H3* A 6 H3* A 6 11.910 2.820 9.677
60 H2* A 6 H2* A 6 11.966 3.023 7.322
61 2HO* A 6 2HO* A 6 13.928 2.894 6.170
62 H1* A 6 H1* A 6 13.486 0.691 6.902
63 H8 A 6 H8 A 6 10.549 -0.002 9.218
64 1H6 A 6 1H6 A 6 7.168 -0.816 4.054
65 2H6 A 6 2H6 A 6 7.183 -0.994 5.801
66 H2 A 6 H2 A 6 11.139 0.909 2.924
67 1H5* C 7 1H5* C 7 14.182 5.385 7.079
68 2H5* C 7 2H5* C 7 13.482 7.026 7.120
69 H4* C 7 H4* C 7 13.388 5.815 4.879
70 H3* C 7 H3* C 7 10.859 6.820 6.179
71 H2* C 7 H2* C 7 9.581 6.058 4.317
72 2HO* C 7 2HO* C 7 10.636 5.381 2.397
73 H1* C 7 H1* C 7 11.029 3.705 3.976
74 1H4 C 7 1H4 C 7 5.952 1.908 7.339
75 2H4 C 7 2H4 C 7 6.620 2.595 8.805
76 H5 C 7 H5 C 7 8.730 3.865 8.836
77 H6 C 7 H6 C 7 10.537 4.689 7.454
78 1H5* A 8 1H5* A 8 10.864 8.383 2.410
79 2H5* A 8 2H5* A 8 10.548 10.130 2.232
80 H4* A 8 H4* A 8 9.082 8.778 0.779
81 H3* A 8 H3* A 8 7.759 10.298 3.026
82 H2* A 8 H2* A 8 5.610 9.464 2.351
83 2HO* A 8 2HO* A 8 5.526 8.050 0.472
84 H1* A 8 H1* A 8 6.374 6.924 2.158
85 H8 A 8 H8 A 8 8.712 7.721 4.798
86 1H6 A 8 1H6 A 8 4.021 8.058 8.821
87 2H6 A 8 2H6 A 8 5.759 7.955 8.653
88 H2 A 8 H2 A 8 2.341 8.096 4.667
89 1H5* U 9 1H5* U 9 5.372 10.618 0.307
90 2H5* U 9 2H5* U 9 4.989 12.194 -0.422
91 H4* U 9 H4* U 9 2.958 10.938 0.040
92 H3* U 9 H3* U 9 3.464 13.496 1.418
93 H2* U 9 H2* U 9 2.142 13.119 3.274
94 2HO* U 9 2HO* U 9 0.389 11.485 1.776
95 H1* U 9 H1* U 9 1.747 10.348 3.207
96 H3 U 9 H3 U 9 2.866 11.818 7.422
97 H5 U 9 H5 U 9 6.480 11.310 5.351
98 H6 U 9 H6 U 9 5.204 11.003 3.327
99 1H5* U 10 1H5* U 10 -1.364 11.274 0.969
100 2H5* U 10 2H5* U 10 -2.314 11.497 -0.523
101 H4* U 10 H4* U 10 -3.517 12.455 1.356
102 H3* U 10 H3* U 10 -2.985 14.006 -0.916
103 H2* U 10 H2* U 10 -1.245 15.258 0.115
104 2HO* U 10 2HO* U 10 -2.946 16.764 -0.418
105 H1* U 10 H1* U 10 -2.841 15.279 2.688
106 H3 U 10 H3 U 10 0.355 17.418 5.035
107 H5 U 10 H5 U 10 2.569 15.189 2.224
108 H6 U 10 H6 U 10 0.479 14.369 1.337
109 1H5* C 11 1H5* C 11 -5.392 12.624 -0.589
110 2H5* C 11 2H5* C 11 -6.836 12.334 -1.593
111 H4* C 11 H4* C 11 -8.102 11.844 0.188
112 H3* C 11 H3* C 11 -7.594 14.466 1.049
113 H2* C 11 H2* C 11 -5.723 13.871 2.363
114 2HO* C 11 2HO* C 11 -7.302 14.736 3.810
115 H1* C 11 H1* C 11 -7.194 11.337 3.139
116 1H4 C 11 1H4 C 11 -1.400 9.191 4.924
117 2H4 C 11 2H4 C 11 -0.901 10.850 5.160
118 H5 C 11 H5 C 11 -2.305 12.765 4.526
119 H6 C 11 H6 C 11 -4.406 13.416 3.555
120 1H5* C 12 1H5* C 12 -11.116 11.527 2.358
121 2H5* C 12 2H5* C 12 -12.439 12.119 1.311
122 H4* C 12 H4* C 12 -13.770 11.424 2.985
123 H3* C 12 H3* C 12 -13.440 14.111 3.436
124 H2* C 12 H2* C 12 -11.600 13.882 4.916
125 2HO* C 12 2HO* C 12 -12.421 14.022 7.100
126 H1* C 12 H1* C 12 -12.950 11.565 6.328
127 1H4 C 12 1H4 C 12 -7.100 10.842 8.730
128 2H4 C 12 2H4 C 12 -6.357 11.263 7.205
129 H5 C 12 H5 C 12 -7.658 11.897 5.216
130 H6 C 12 H6 C 12 -9.895 12.232 4.360
131 1H5* U 13 1H5* U 13 -17.558 10.488 2.276
132 2H5* U 13 2H5* U 13 -16.474 9.445 3.224
133 H4* U 13 H4* U 13 -15.607 10.604 0.598
134 H3* U 13 H3* U 13 -17.766 9.080 0.366
135 H2* U 13 H2* U 13 -17.015 7.531 2.088
136 2HO* U 13 2HO* U 13 -16.387 6.343 -0.423
137 H1* U 13 H1* U 13 -14.443 7.205 0.533
138 H3 U 13 H3 U 13 -13.466 4.111 3.821
139 H5 U 13 H5 U 13 -14.081 7.769 5.839
140 H6 U 13 H6 U 13 -14.809 8.704 3.777
141 1H5* C 14 1H5* C 14 -13.246 11.918 -1.348
142 2H5* C 14 2H5* C 14 -13.533 11.217 -2.963
143 H4* C 14 H4* C 14 -11.199 11.109 -2.714
144 H3* C 14 H3* C 14 -12.249 8.431 -1.745
145 H2* C 14 H2* C 14 -9.988 7.750 -1.462
146 2HO* C 14 2HO* C 14 -9.330 10.065 -3.020
147 H1* C 14 H1* C 14 -9.111 10.322 -0.670
148 1H4 C 14 1H4 C 14 -9.226 6.720 4.589
149 2H4 C 14 2H4 C 14 -10.902 7.153 4.842
150 H5 C 14 H5 C 14 -12.189 8.465 3.219
151 H6 C 14 H6 C 14 -12.114 9.566 1.069
152 1H5* A 15 1H5* A 15 -8.864 7.601 -4.616
153 2H5* A 15 2H5* A 15 -9.470 6.199 -5.528
154 H4* A 15 H4* A 15 -7.180 5.973 -4.369
155 H3* A 15 H3* A 15 -9.396 3.967 -3.944
156 H2* A 15 H2* A 15 -7.968 2.674 -2.507
157 2HO* A 15 2HO* A 15 -5.996 2.962 -3.693
158 H1* A 15 H1* A 15 -7.085 4.818 -1.079
159 H8 A 15 H8 A 15 -10.588 4.979 -2.504
160 1H6 A 15 1H6 A 15 -12.342 2.865 3.130
161 2H6 A 15 2H6 A 15 -12.956 3.452 1.596
162 H2 A 15 H2 A 15 -7.856 2.954 2.824
163 1H5* C 16 1H5* C 16 -6.023 1.581 -5.349
164 2H5* C 16 2H5* C 16 -6.616 0.205 -6.317
165 H4* C 16 H4* C 16 -5.242 -0.450 -4.328
166 H3* C 16 H3* C 16 -8.143 -1.327 -4.341
167 H2* C 16 H2* C 16 -7.654 -2.616 -2.377
168 2HO* C 16 2HO* C 16 -5.459 -2.727 -1.627
169 H1* C 16 H1* C 16 -6.156 -0.589 -1.224
170 1H4 C 16 1H4 C 16 -12.032 0.053 1.175
171 2H4 C 16 2H4 C 16 -12.503 1.014 -0.209
172 H5 C 16 H5 C 16 -11.043 1.377 -2.145
173 H6 C 16 H6 C 16 -8.874 0.889 -3.089
174 1H5* G 17 1H5* G 17 -5.581 -4.700 -3.838
175 2H5* G 17 2H5* G 17 -6.138 -6.101 -4.787
176 H4* G 17 H4* G 17 -5.646 -6.642 -2.406
177 H3* G 17 H3* G 17 -8.525 -6.919 -3.295
178 H2* G 17 H2* G 17 -9.021 -7.859 -1.138
179 2HO* G 17 2HO* G 17 -7.312 -8.244 0.347
180 H1* G 17 H1* G 17 -7.648 -5.919 0.218
181 H8 G 17 H8 G 17 -9.026 -4.055 -2.700
182 H1 G 17 H1 G 17 -13.536 -5.480 1.612
183 1H2 G 17 1H2 G 17 -12.767 -6.960 3.066
184 2H2 G 17 2H2 G 17 -11.138 -7.593 2.975
185 1H5* G 18 1H5* G 18 -7.580 -10.428 -1.393
186 2H5* G 18 2H5* G 18 -8.177 -11.862 -2.266
187 H4* G 18 H4* G 18 -8.906 -11.746 0.125
188 H3* G 18 H3* G 18 -11.071 -11.586 -1.986
189 H2* G 18 H2* G 18 -12.689 -11.689 -0.227
190 2HO* G 18 2HO* G 18 -11.622 -13.305 1.052
191 H1* G 18 H1* G 18 -11.238 -9.992 1.454
192 H8 G 18 H8 G 18 -11.047 -8.543 -2.013
193 H1 G 18 H1 G 18 -16.667 -7.429 0.848
194 1H2 G 18 1H2 G 18 -16.848 -8.649 2.685
195 2H2 G 18 2H2 G 18 -15.586 -9.744 3.202
196 1H5* G 19 1H5* G 19 -13.805 -15.724 -2.478
197 2H5* G 19 2H5* G 19 -14.089 -14.057 -3.054
198 H4* G 19 H4* G 19 -14.984 -15.169 -0.377
199 H3* G 19 H3* G 19 -16.544 -14.629 -2.915
200 H2* G 19 H2* G 19 -18.453 -14.166 -1.526
201 2HO* G 19 2HO* G 19 -17.893 -15.825 0.095
202 H1* G 19 H1* G 19 -17.023 -12.539 0.141
203 H8 G 19 H8 G 19 -16.223 -12.800 -3.667
204 H1 G 19 H1 G 19 -19.789 -7.773 -1.960
205 1H2 G 19 1H2 G 19 -20.241 -7.850 0.193
206 2H2 G 19 2H2 G 19 -19.669 -9.142 1.222
207 1H5* U 20 1H5* U 20 -18.128 -15.459 -5.107
208 2H5* U 20 2H5* U 20 -18.472 -15.310 -3.367
209 H4* U 20 H4* U 20 -20.171 -16.536 -5.536
210 H3* U 20 H3* U 20 -20.696 -14.518 -3.335
211 H2* U 20 H2* U 20 -22.998 -15.127 -3.433
212 2HO* U 20 2HO* U 20 -23.138 -15.154 -5.769
213 H1* U 20 H1* U 20 -22.448 -17.851 -3.924
214 H3 U 20 H3 U 20 -24.112 -18.637 0.133
215 H5 U 20 H5 U 20 -21.289 -15.622 0.905
216 H6 U 20 H6 U 20 -20.808 -15.551 -1.490
217 1H5* G 21 1H5* G 21 -22.935 -10.819 -3.675
218 2H5* G 21 2H5* G 21 -21.612 -11.533 -2.713
219 H4* G 21 H4* G 21 -24.589 -11.949 -2.285
220 H3* G 21 H3* G 21 -22.512 -10.375 -0.756
221 H2* G 21 H2* G 21 -23.599 -10.933 1.284
222 2HO* G 21 2HO* G 21 -25.781 -10.670 0.326
223 H1* G 21 H1* G 21 -24.064 -13.538 0.638
224 H8 G 21 H8 G 21 -20.698 -12.174 -0.591
225 H1 G 21 H1 G 21 -20.582 -14.626 5.309
226 1H2 G 21 1H2 G 21 -22.632 -15.120 5.976
227 2H2 G 21 2H2 G 21 -24.030 -14.849 4.962
228 1H5* A 22 1H5* A 22 -24.473 -5.308 -0.449
229 2H5* A 22 2H5* A 22 -23.301 -6.571 0.005
230 H4* A 22 H4* A 22 -26.263 -6.488 0.664
231 H3* A 22 H3* A 22 -23.766 -6.249 2.346
232 H2* A 22 H2* A 22 -24.904 -7.321 4.167
233 2HO* A 22 2HO* A 22 -27.200 -7.223 2.449
234 H1* A 22 H1* A 22 -25.810 -9.354 2.642
235 H8 A 22 H8 A 22 -22.648 -8.441 0.897
236 1H6 A 22 1H6 A 22 -19.542 -11.509 5.256
237 2H6 A 22 2H6 A 22 -19.438 -10.734 3.692
238 H2 A 22 H2 A 22 -23.772 -11.059 6.620
239 1H5* C 23 1H5* C 23 -24.630 -5.288 4.703
240 2H5* C 23 2H5* C 23 -23.853 -4.047 5.714
241 H4* C 23 H4* C 23 -23.044 -6.399 6.102
242 H3* C 23 H3* C 23 -21.031 -4.373 5.105
243 H2* C 23 H2* C 23 -19.336 -6.034 5.446
244 2HO* C 23 2HO* C 23 -19.845 -8.000 6.474
245 H1* C 23 H1* C 23 -20.826 -8.046 4.293
246 1H4 C 23 1H4 C 23 -17.246 -5.503 -0.364
247 2H4 C 23 2H4 C 23 -18.539 -4.388 -0.742
248 H5 C 23 H5 C 23 -20.578 -4.199 0.611
249 H6 C 23 H6 C 23 -21.744 -5.056 2.549
250 1H5* C 24 1H5* C 24 -19.472 -6.145 8.638
251 2H5* C 24 2H5* C 24 -18.438 -5.005 9.541
252 H4* C 24 H4* C 24 -17.318 -7.158 8.819
253 H3* C 24 H3* C 24 -16.185 -4.559 7.754
254 H2* C 24 H2* C 24 -14.360 -5.857 6.893
255 2HO* C 24 2HO* C 24 -14.228 -8.103 7.397
256 H1* C 24 H1* C 24 -16.023 -7.862 5.947
257 1H4 C 24 1H4 C 24 -15.000 -3.888 1.046
258 2H4 C 24 2H4 C 24 -16.359 -2.907 1.549
259 H5 C 24 H5 C 24 -17.594 -3.311 3.631
260 H6 C 24 H6 C 24 -17.749 -4.724 5.581
261 1H5* G 25 1H5* G 25 -13.082 -6.623 9.524
262 2H5* G 25 2H5* G 25 -11.895 -5.575 10.339
263 H4* G 25 H4* G 25 -10.922 -7.060 8.568
264 H3* G 25 H3* G 25 -10.737 -4.069 8.149
265 H2* G 25 H2* G 25 -9.405 -4.497 6.203
266 2HO* G 25 2HO* G 25 -8.783 -6.649 5.700
267 H1* G 25 H1* G 25 -11.070 -6.442 5.248
268 H8 G 25 H8 G 25 -13.526 -4.125 6.783
269 H1 G 25 H1 G 25 -10.886 -1.604 1.524
270 1H2 G 25 1H2 G 25 -9.107 -2.773 0.933
271 2H2 G 25 2H2 G 25 -8.578 -4.184 1.824
272 1H5* U 26 1H5* U 26 -7.018 -5.175 7.326
273 2H5* U 26 2H5* U 26 -5.794 -4.095 8.043
274 H4* U 26 H4* U 26 -5.783 -4.307 5.499
275 H3* U 26 H3* U 26 -6.096 -1.592 6.793
276 H2* U 26 H2* U 26 -6.040 -0.603 4.634
277 2HO* U 26 2HO* U 26 -5.357 -1.786 2.817
278 H1* U 26 H1* U 26 -7.478 -2.680 3.399
279 H3 U 26 H3 U 26 -9.614 1.458 3.270
280 H5 U 26 H5 U 26 -11.143 -0.637 6.579
281 H6 U 26 H6 U 26 -9.365 -2.260 6.288
282 1H5* G 27 1H5* G 27 -2.843 -2.044 3.970
283 2H5* G 27 2H5* G 27 -1.397 -1.069 4.335
284 H4* G 27 H4* G 27 -2.620 -0.990 1.954
285 H3* G 27 H3* G 27 -0.681 0.613 3.053
286 H2* G 27 H2* G 27 -2.219 2.088 4.131
287 2HO* G 27 2HO* G 27 -0.983 3.484 2.914
288 H1* G 27 H1* G 27 -3.895 2.066 1.606
289 H8 G 27 H8 G 27 -4.769 1.289 5.279
290 H1 G 27 H1 G 27 -7.483 6.579 2.929
291 1H2 G 27 1H2 G 27 -6.706 7.006 0.906
292 2H2 G 27 2H2 G 27 -5.518 5.981 0.132
293 1H5* G 28 1H5* G 28 -0.867 4.107 -0.903
294 2H5* G 28 2H5* G 28 0.164 2.854 -1.637
295 H4* G 28 H4* G 28 1.034 5.244 -1.745
296 H3* G 28 H3* G 28 2.655 2.993 -0.590
297 H2* G 28 H2* G 28 4.388 4.439 0.119
298 2HO* G 28 2HO* G 28 3.057 6.446 -1.429
299 H1* G 28 H1* G 28 2.834 6.418 1.077
300 H8 G 28 H8 G 28 0.686 3.772 2.214
301 H1 G 28 H1 G 28 6.293 3.468 5.209
302 1H2 G 28 1H2 G 28 7.781 4.703 4.167
303 2H2 G 28 2H2 G 28 7.399 5.612 2.726
304 1H5* U 29 1H5* U 29 5.493 5.185 -2.593
305 2H5* U 29 2H5* U 29 6.589 4.157 -3.554
306 H4* U 29 H4* U 29 7.628 5.653 -1.722
307 H3* U 29 H3* U 29 8.170 2.677 -1.867
308 H2* U 29 H2* U 29 9.722 2.931 -0.033
309 2HO* U 29 2HO* U 29 10.062 5.023 0.864
310 H1* U 29 H1* U 29 7.896 4.183 1.516
311 H3 U 29 H3 U 29 8.307 -0.473 1.985
312 H5 U 29 H5 U 29 4.527 0.493 0.417
313 H6 U 29 H6 U 29 5.339 2.724 0.007
314 1H5* C 30 1H5* C 30 12.580 3.751 -2.527
315 2H5* C 30 2H5* C 30 13.019 2.407 -3.619
316 H4* C 30 H4* C 30 14.169 2.631 -1.268
317 H3* C 30 H3* C 30 13.003 -0.002 -2.218
318 H2* C 30 H2* C 30 14.054 -0.976 -0.302
319 2HO* C 30 2HO* C 30 15.269 1.579 0.138
320 H1* C 30 H1* C 30 13.372 1.185 1.335
321 1H4 C 30 1H4 C 30 9.126 -3.395 2.560
322 2H4 C 30 2H4 C 30 8.142 -2.878 1.206
323 H5 C 30 H5 C 30 8.860 -1.128 -0.377
324 H6 C 30 H6 C 30 10.653 0.421 -0.907
325 1H5* C 31 1H5* C 31 17.411 -0.415 -1.286
326 2H5* C 31 2H5* C 31 17.975 -1.914 -2.071
327 H4* C 31 H4* C 31 18.268 -1.743 0.471
328 H3* C 31 H3* C 31 16.666 -4.067 -0.628
329 H2* C 31 H2* C 31 16.795 -4.972 1.602
330 2HO* C 31 2HO* C 31 18.054 -3.861 3.191
331 H1* C 31 H1* C 31 16.240 -2.501 2.763
332 1H4 C 31 1H4 C 31 10.646 -5.546 2.431
333 2H4 C 31 2H4 C 31 10.453 -5.058 0.762
334 H5 C 31 H5 C 31 12.204 -3.865 -0.493
335 H6 C 31 H6 C 31 14.434 -2.938 -0.348
336 1H5* U 32 1H5* U 32 19.595 -5.620 1.804
337 2H5* U 32 2H5* U 32 20.395 -7.012 1.039
338 H4* U 32 H4* U 32 19.689 -7.585 3.290
339 H3* U 32 H3* U 32 17.957 -8.892 1.188
340 H2* U 32 H2* U 32 16.944 -10.125 2.965
341 2HO* U 32 2HO* U 32 17.801 -9.960 5.101
342 H1* U 32 H1* U 32 16.799 -7.945 4.643
343 H3 U 32 H3 U 32 12.565 -9.034 3.339
344 H5 U 32 H5 U 32 14.098 -6.660 0.226
345 H6 U 32 H6 U 32 16.284 -6.789 1.295
346 1H5* C 33 1H5* C 33 19.317 -11.870 3.893
347 2H5* C 33 2H5* C 33 19.748 -13.355 3.008
348 H4* C 33 H4* C 33 18.165 -13.809 4.844
349 H3* C 33 H3* C 33 16.986 -14.125 2.072
350 H2* C 33 H2* C 33 15.043 -15.030 3.123
351 2HO* C 33 2HO* C 33 16.524 -14.877 5.566
352 H1* C 33 H1* C 33 14.977 -13.109 5.093
353 1H4 C 33 1H4 C 33 11.181 -10.965 0.427
354 2H4 C 33 2H4 C 33 12.557 -10.256 -0.389
355 H5 C 33 H5 C 33 14.875 -10.572 0.377
356 H6 C 33 H6 C 33 16.256 -11.630 2.050
357 1H5* C 34 1H5* C 34 16.032 -17.608 4.364
358 2H5* C 34 2H5* C 34 16.236 -19.030 3.316
359 H4* C 34 H4* C 34 14.001 -18.873 4.445
360 H3* C 34 H3* C 34 14.067 -18.799 1.420
361 H2* C 34 H2* C 34 11.683 -18.872 1.426
362 2HO* C 34 2HO* C 34 11.981 -19.490 4.209
363 H1* C 34 H1* C 34 11.425 -17.126 3.585
364 1H4 C 34 1H4 C 34 10.660 -13.618 -1.697
365 2H4 C 34 2H4 C 34 12.384 -13.316 -1.749
366 H5 C 34 H5 C 34 13.979 -14.406 -0.224
367 H6 C 34 H6 C 34 14.187 -15.962 1.614
Start of MODEL 13
1 1H5* G 1 1H5* G 1 -3.004 -7.882 3.261
2 2H5* G 1 2H5* G 1 -1.886 -8.190 1.933
3 H4* G 1 H4* G 1 -2.949 -10.288 3.838
4 H3* G 1 H3* G 1 -0.262 -8.897 3.728
5 H2* G 1 H2* G 1 0.718 -10.907 4.567
6 2HO* G 1 2HO* G 1 -1.975 -11.824 4.872
7 H1* G 1 H1* G 1 -0.683 -12.535 2.879
8 H8 G 1 H8 G 1 0.091 -9.430 0.912
9 H1 G 1 H1 G 1 5.173 -13.256 1.562
10 1H2 G 1 1H2 G 1 4.763 -14.823 3.065
11 2H2 G 1 2H2 G 1 3.229 -14.936 3.901
12 1H5* G 2 1H5* G 2 -0.390 -10.808 7.540
13 2H5* G 2 2H5* G 2 0.464 -9.806 8.743
14 H4* G 2 H4* G 2 1.334 -12.183 8.413
15 H3* G 2 H3* G 2 3.219 -9.851 7.979
16 H2* G 2 H2* G 2 4.979 -11.443 7.728
17 2HO* G 2 2HO* G 2 4.728 -13.580 8.336
18 H1* G 2 H1* G 2 3.413 -13.231 6.261
19 H8 G 2 H8 G 2 2.530 -10.050 4.648
20 H1 G 2 H1 G 2 8.584 -11.648 3.349
21 1H2 G 2 1H2 G 2 9.268 -13.245 4.717
22 2H2 G 2 2H2 G 2 8.229 -13.929 5.947
23 1H5* A 3 1H5* A 3 5.295 -12.244 11.121
24 2H5* A 3 2H5* A 3 5.627 -11.025 12.383
25 H4* A 3 H4* A 3 7.658 -12.247 11.976
26 H3* A 3 H3* A 3 7.740 -9.548 10.606
27 H2* A 3 H2* A 3 10.055 -10.006 10.092
28 2HO* A 3 2HO* A 3 11.007 -11.945 10.875
29 H1* A 3 H1* A 3 9.490 -12.511 9.152
30 H8 A 3 H8 A 3 6.471 -10.428 8.305
31 1H6 A 3 1H6 A 3 9.666 -8.298 3.458
32 2H6 A 3 2H6 A 3 8.094 -8.375 4.221
33 H2 A 3 H2 A 3 12.467 -10.579 6.122
34 1H5* G 4 1H5* G 4 11.185 -9.540 12.926
35 2H5* G 4 2H5* G 4 11.415 -7.981 13.760
36 H4* G 4 H4* G 4 13.406 -8.609 12.468
37 H3* G 4 H3* G 4 11.884 -6.274 11.282
38 H2* G 4 H2* G 4 13.724 -6.012 9.753
39 2HO* G 4 2HO* G 4 15.439 -6.562 11.218
40 H1* G 4 H1* G 4 13.789 -8.684 9.155
41 H8 G 4 H8 G 4 10.171 -7.951 9.757
42 H1 G 4 H1 G 4 12.250 -5.694 4.152
43 1H2 G 4 1H2 G 4 14.456 -5.774 4.069
44 2H2 G 4 2H2 G 4 15.415 -6.395 5.392
45 1H5* G 5 1H5* G 5 15.919 -4.210 11.931
46 2H5* G 5 2H5* G 5 15.347 -2.688 12.665
47 H4* G 5 H4* G 5 16.853 -2.382 10.678
48 H3* G 5 H3* G 5 14.013 -1.356 10.420
49 H2* G 5 H2* G 5 14.668 -0.366 8.330
50 2HO* G 5 2HO* G 5 16.857 -0.441 7.675
51 H1* G 5 H1* G 5 15.962 -2.632 7.475
52 H8 G 5 H8 G 5 13.060 -4.000 9.383
53 H1 G 5 H1 G 5 11.278 -1.452 3.794
54 1H2 G 5 1H2 G 5 12.941 -0.288 2.914
55 2H2 G 5 2H2 G 5 14.489 -0.128 3.713
56 1H5* A 6 1H5* A 6 16.789 2.247 9.677
57 2H5* A 6 2H5* A 6 15.779 3.648 10.122
58 H4* A 6 H4* A 6 16.763 3.475 7.704
59 H3* A 6 H3* A 6 13.841 4.091 8.223
60 H2* A 6 H2* A 6 13.609 4.451 5.872
61 2HO* A 6 2HO* A 6 16.456 4.174 5.762
62 H1* A 6 H1* A 6 15.122 2.252 5.192
63 H8 A 6 H8 A 6 13.045 1.117 8.097
64 1H6 A 6 1H6 A 6 8.314 0.523 4.165
65 2H6 A 6 2H6 A 6 8.901 0.164 5.770
66 H2 A 6 H2 A 6 11.616 2.762 2.087
67 1H5* C 7 1H5* C 7 15.246 7.021 5.458
68 2H5* C 7 2H5* C 7 14.360 8.547 5.713
69 H4* C 7 H4* C 7 14.153 7.467 3.407
70 H3* C 7 H3* C 7 11.641 7.989 5.004
71 H2* C 7 H2* C 7 10.397 7.399 3.024
72 2HO* C 7 2HO* C 7 11.626 6.858 1.099
73 H1* C 7 H1* C 7 11.947 5.173 2.561
74 1H4 C 7 1H4 C 7 7.030 3.346 6.229
75 2H4 C 7 2H4 C 7 8.046 3.517 7.642
76 H5 C 7 H5 C 7 10.310 4.464 7.549
77 H6 C 7 H6 C 7 11.974 5.417 6.083
78 1H5* A 8 1H5* A 8 10.842 9.636 1.285
79 2H5* A 8 2H5* A 8 10.117 11.253 1.484
80 H4* A 8 H4* A 8 8.756 9.720 0.064
81 H3* A 8 H3* A 8 7.541 10.633 2.681
82 H2* A 8 H2* A 8 5.503 9.522 2.049
83 2HO* A 8 2HO* A 8 6.849 9.106 -0.449
84 H1* A 8 H1* A 8 6.751 7.248 1.276
85 H8 A 8 H8 A 8 8.978 8.099 4.025
86 1H6 A 8 1H6 A 8 4.544 6.438 8.044
87 2H6 A 8 2H6 A 8 6.243 6.815 7.869
88 H2 A 8 H2 A 8 2.698 6.855 4.011
89 1H5* U 9 1H5* U 9 4.750 10.860 0.281
90 2H5* U 9 2H5* U 9 4.129 12.472 -0.145
91 H4* U 9 H4* U 9 2.245 11.033 0.183
92 H3* U 9 H3* U 9 2.708 12.948 2.449
93 H2* U 9 H2* U 9 1.020 11.968 3.702
94 2HO* U 9 2HO* U 9 -0.005 10.817 1.323
95 H1* U 9 H1* U 9 1.300 9.309 2.852
96 H3 U 9 H3 U 9 2.126 9.309 7.346
97 H5 U 9 H5 U 9 5.692 10.622 5.558
98 H6 U 9 H6 U 9 4.502 10.766 3.446
99 1H5* U 10 1H5* U 10 -0.178 16.720 1.878
100 2H5* U 10 2H5* U 10 0.740 15.338 2.517
101 H4* U 10 H4* U 10 -1.331 14.460 0.701
102 H3* U 10 H3* U 10 -2.247 16.564 2.570
103 H2* U 10 H2* U 10 -2.692 14.979 4.258
104 2HO* U 10 2HO* U 10 -4.641 13.836 3.973
105 H1* U 10 H1* U 10 -2.729 12.859 2.088
106 H3 U 10 H3 U 10 -3.483 9.667 5.230
107 H5 U 10 H5 U 10 -0.265 11.879 6.785
108 H6 U 10 H6 U 10 -0.504 13.429 4.915
109 1H5* C 11 1H5* C 11 -7.096 17.262 1.788
110 2H5* C 11 2H5* C 11 -5.977 16.039 2.443
111 H4* C 11 H4* C 11 -8.389 15.695 0.700
112 H3* C 11 H3* C 11 -7.788 14.908 3.365
113 H2* C 11 H2* C 11 -6.425 13.086 2.735
114 2HO* C 11 2HO* C 11 -7.715 11.172 2.517
115 H1* C 11 H1* C 11 -8.167 12.678 0.289
116 1H4 C 11 1H4 C 11 -3.465 8.746 -1.452
117 2H4 C 11 2H4 C 11 -2.270 9.690 -0.595
118 H5 C 11 H5 C 11 -2.826 11.724 0.674
119 H6 C 11 H6 C 11 -4.637 13.185 1.326
120 1H5* C 12 1H5* C 12 -11.666 13.377 1.598
121 2H5* C 12 2H5* C 12 -13.042 14.525 1.619
122 H4* C 12 H4* C 12 -13.729 12.180 1.947
123 H3* C 12 H3* C 12 -14.880 14.174 3.353
124 H2* C 12 H2* C 12 -13.204 14.152 5.095
125 2HO* C 12 2HO* C 12 -14.232 12.998 6.908
126 H1* C 12 H1* C 12 -13.502 11.142 5.270
127 1H4 C 12 1H4 C 12 -8.511 12.287 9.140
128 2H4 C 12 2H4 C 12 -7.496 12.415 7.722
129 H5 C 12 H5 C 12 -8.399 12.403 5.435
130 H6 C 12 H6 C 12 -10.414 12.274 4.123
131 1H5* U 13 1H5* U 13 -17.660 8.988 2.112
132 2H5* U 13 2H5* U 13 -16.471 9.315 3.388
133 H4* U 13 H4* U 13 -16.263 10.781 0.811
134 H3* U 13 H3* U 13 -16.308 8.121 0.404
135 H2* U 13 H2* U 13 -14.862 7.646 2.290
136 2HO* U 13 2HO* U 13 -13.234 7.733 -0.025
137 H1* U 13 H1* U 13 -12.967 9.794 1.250
138 H3 U 13 H3 U 13 -10.215 9.267 4.893
139 H5 U 13 H5 U 13 -14.129 8.799 6.415
140 H6 U 13 H6 U 13 -14.940 8.999 4.226
141 1H5* C 14 1H5* C 14 -12.207 10.085 -1.091
142 2H5* C 14 2H5* C 14 -12.008 9.577 -2.786
143 H4* C 14 H4* C 14 -9.816 9.533 -1.994
144 H3* C 14 H3* C 14 -10.885 6.762 -1.400
145 H2* C 14 H2* C 14 -8.676 6.198 -0.675
146 2HO* C 14 2HO* C 14 -7.779 8.724 -1.652
147 H1* C 14 H1* C 14 -8.233 8.744 0.478
148 1H4 C 14 1H4 C 14 -9.440 4.837 5.390
149 2H4 C 14 2H4 C 14 -11.155 5.023 5.116
150 H5 C 14 H5 C 14 -12.083 6.245 3.207
151 H6 C 14 H6 C 14 -11.504 7.504 1.240
152 1H5* A 15 1H5* A 15 -7.327 6.313 -3.426
153 2H5* A 15 2H5* A 15 -7.481 5.167 -4.782
154 H4* A 15 H4* A 15 -5.541 4.594 -3.457
155 H3* A 15 H3* A 15 -7.866 2.703 -3.063
156 H2* A 15 H2* A 15 -6.480 1.348 -1.642
157 2HO* A 15 2HO* A 15 -4.246 1.798 -1.468
158 H1* A 15 H1* A 15 -5.422 3.506 -0.289
159 H8 A 15 H8 A 15 -8.997 4.281 -1.087
160 1H6 A 15 1H6 A 15 -10.418 1.016 4.043
161 2H6 A 15 2H6 A 15 -11.062 2.088 2.817
162 H2 A 15 H2 A 15 -6.052 0.458 3.049
163 1H5* C 16 1H5* C 16 -4.679 0.241 -4.411
164 2H5* C 16 2H5* C 16 -5.240 -0.990 -5.576
165 H4* C 16 H4* C 16 -4.031 -1.913 -3.589
166 H3* C 16 H3* C 16 -6.937 -2.680 -3.943
167 H2* C 16 H2* C 16 -6.659 -4.209 -2.124
168 2HO* C 16 2HO* C 16 -4.593 -4.620 -1.266
169 H1* C 16 H1* C 16 -5.200 -2.399 -0.606
170 1H4 C 16 1H4 C 16 -11.317 -2.001 1.243
171 2H4 C 16 2H4 C 16 -11.497 -0.579 0.235
172 H5 C 16 H5 C 16 -9.742 0.194 -1.309
173 H6 C 16 H6 C 16 -7.524 -0.269 -2.146
174 1H5* G 17 1H5* G 17 -4.565 -6.203 -3.746
175 2H5* G 17 2H5* G 17 -5.061 -7.394 -4.975
176 H4* G 17 H4* G 17 -4.873 -8.459 -2.795
177 H3* G 17 H3* G 17 -7.736 -8.097 -3.705
178 H2* G 17 H2* G 17 -8.418 -9.377 -1.789
179 2HO* G 17 2HO* G 17 -6.774 -10.278 -0.414
180 H1* G 17 H1* G 17 -6.769 -8.001 -0.076
181 H8 G 17 H8 G 17 -7.982 -5.560 -2.698
182 H1 G 17 H1 G 17 -12.297 -6.723 1.882
183 1H2 G 17 1H2 G 17 -11.646 -8.433 3.128
184 2H2 G 17 2H2 G 17 -10.143 -9.277 2.836
185 1H5* G 18 1H5* G 18 -7.511 -12.076 -2.787
186 2H5* G 18 2H5* G 18 -8.280 -13.103 -4.025
187 H4* G 18 H4* G 18 -9.170 -13.499 -1.743
188 H3* G 18 H3* G 18 -11.111 -12.262 -3.710
189 H2* G 18 H2* G 18 -12.819 -12.524 -2.063
190 2HO* G 18 2HO* G 18 -10.893 -14.178 -0.729
191 H1* G 18 H1* G 18 -11.111 -11.836 0.067
192 H8 G 18 H8 G 18 -10.605 -9.429 -2.808
193 H1 G 18 H1 G 18 -15.758 -8.095 0.754
194 1H2 G 18 1H2 G 18 -16.167 -9.758 2.152
195 2H2 G 18 2H2 G 18 -15.178 -11.199 2.203
196 1H5* G 19 1H5* G 19 -14.393 -15.195 -5.936
197 2H5* G 19 2H5* G 19 -14.163 -13.429 -5.807
198 H4* G 19 H4* G 19 -15.830 -15.162 -3.958
199 H3* G 19 H3* G 19 -16.615 -13.142 -6.073
200 H2* G 19 H2* G 19 -18.566 -12.656 -4.768
201 2HO* G 19 2HO* G 19 -18.909 -13.894 -2.806
202 H1* G 19 H1* G 19 -17.161 -12.529 -2.409
203 H8 G 19 H8 G 19 -15.681 -11.288 -5.794
204 H1 G 19 H1 G 19 -18.091 -6.731 -2.006
205 1H2 G 19 1H2 G 19 -18.989 -7.629 -0.210
206 2H2 G 19 2H2 G 19 -18.999 -9.355 0.067
207 1H5* U 20 1H5* U 20 -18.536 -12.639 -8.551
208 2H5* U 20 2H5* U 20 -18.783 -13.240 -6.893
209 H4* U 20 H4* U 20 -20.685 -13.450 -9.241
210 H3* U 20 H3* U 20 -20.865 -12.104 -6.536
211 H2* U 20 H2* U 20 -23.220 -12.444 -6.573
212 2HO* U 20 2HO* U 20 -23.497 -11.773 -8.805
213 H1* U 20 H1* U 20 -23.047 -14.951 -7.859
214 H3 U 20 H3 U 20 -24.402 -16.826 -4.044
215 H5 U 20 H5 U 20 -21.359 -14.236 -2.739
216 H6 U 20 H6 U 20 -21.060 -13.527 -5.043
217 1H5* G 21 1H5* G 21 -22.116 -8.303 -5.506
218 2H5* G 21 2H5* G 21 -21.156 -9.675 -4.883
219 H4* G 21 H4* G 21 -24.128 -9.233 -4.467
220 H3* G 21 H3* G 21 -21.769 -8.937 -2.596
221 H2* G 21 H2* G 21 -23.199 -9.614 -0.803
222 2HO* G 21 2HO* G 21 -25.122 -8.534 -1.468
223 H1* G 21 H1* G 21 -24.257 -11.706 -2.156
224 H8 G 21 H8 G 21 -20.579 -11.000 -3.030
225 H1 G 21 H1 G 21 -21.430 -15.002 1.881
226 1H2 G 21 1H2 G 21 -23.572 -15.111 2.420
227 2H2 G 21 2H2 G 21 -24.795 -14.192 1.573
228 1H5* A 22 1H5* A 22 -24.710 -5.996 -0.916
229 2H5* A 22 2H5* A 22 -23.912 -5.002 0.333
230 H4* A 22 H4* A 22 -25.666 -6.731 1.104
231 H3* A 22 H3* A 22 -22.879 -6.750 2.276
232 H2* A 22 H2* A 22 -23.674 -8.407 3.841
233 2HO* A 22 2HO* A 22 -25.840 -7.480 4.061
234 H1* A 22 H1* A 22 -24.879 -9.870 1.845
235 H8 A 22 H8 A 22 -21.888 -8.486 0.139
236 1H6 A 22 1H6 A 22 -18.395 -12.707 2.935
237 2H6 A 22 2H6 A 22 -18.459 -11.494 1.677
238 H2 A 22 H2 A 22 -22.390 -12.734 4.897
239 1H5* C 23 1H5* C 23 -23.614 -6.578 5.063
240 2H5* C 23 2H5* C 23 -22.721 -5.708 6.333
241 H4* C 23 H4* C 23 -22.027 -8.113 5.905
242 H3* C 23 H3* C 23 -19.963 -5.928 5.568
243 H2* C 23 H2* C 23 -18.329 -7.667 5.330
244 2HO* C 23 2HO* C 23 -20.463 -9.456 6.016
245 H1* C 23 H1* C 23 -19.944 -9.177 3.653
246 1H4 C 23 1H4 C 23 -16.195 -5.591 -0.081
247 2H4 C 23 2H4 C 23 -17.421 -4.342 -0.111
248 H5 C 23 H5 C 23 -19.462 -4.445 1.264
249 H6 C 23 H6 C 23 -20.686 -5.767 2.883
250 1H5* C 24 1H5* C 24 -18.405 -8.626 8.366
251 2H5* C 24 2H5* C 24 -17.517 -7.797 9.672
252 H4* C 24 H4* C 24 -16.156 -9.525 8.525
253 H3* C 24 H3* C 24 -15.236 -6.675 8.074
254 H2* C 24 H2* C 24 -13.287 -7.607 7.041
255 2HO* C 24 2HO* C 24 -12.941 -9.890 7.122
256 H1* C 24 H1* C 24 -14.753 -9.597 5.722
257 1H4 C 24 1H4 C 24 -13.850 -4.995 1.399
258 2H4 C 24 2H4 C 24 -15.115 -4.024 2.120
259 H5 C 24 H5 C 24 -16.286 -4.675 4.182
260 H6 C 24 H6 C 24 -16.448 -6.363 5.900
261 1H5* G 25 1H5* G 25 -12.030 -8.891 9.605
262 2H5* G 25 2H5* G 25 -11.195 -8.006 10.906
263 H4* G 25 H4* G 25 -9.598 -8.886 9.271
264 H3* G 25 H3* G 25 -9.925 -5.877 9.152
265 H2* G 25 H2* G 25 -8.110 -5.842 7.593
266 2HO* G 25 2HO* G 25 -6.970 -7.804 7.141
267 H1* G 25 H1* G 25 -9.048 -8.016 6.172
268 H8 G 25 H8 G 25 -12.096 -6.043 7.116
269 H1 G 25 H1 G 25 -8.779 -3.334 2.347
270 1H2 G 25 1H2 G 25 -6.797 -4.305 2.162
271 2H2 G 25 2H2 G 25 -6.297 -5.619 3.202
272 1H5* U 26 1H5* U 26 -5.854 -6.415 9.433
273 2H5* U 26 2H5* U 26 -5.082 -5.132 10.403
274 H4* U 26 H4* U 26 -4.350 -5.346 7.957
275 H3* U 26 H3* U 26 -5.437 -2.712 8.977
276 H2* U 26 H2* U 26 -4.873 -1.755 6.862
277 2HO* U 26 2HO* U 26 -3.547 -2.867 5.396
278 H1* U 26 H1* U 26 -5.631 -4.039 5.412
279 H3 U 26 H3 U 26 -8.300 -0.450 4.287
280 H5 U 26 H5 U 26 -10.136 -2.272 7.614
281 H6 U 26 H6 U 26 -8.146 -3.627 7.887
282 1H5* G 27 1H5* G 27 -1.580 -2.441 7.192
283 2H5* G 27 2H5* G 27 -0.532 -1.156 7.845
284 H4* G 27 H4* G 27 -1.202 -1.296 5.266
285 H3* G 27 H3* G 27 -0.028 0.727 6.768
286 H2* G 27 H2* G 27 -2.055 1.812 7.304
287 2HO* G 27 2HO* G 27 -0.793 3.342 6.124
288 H1* G 27 H1* G 27 -3.041 1.293 4.498
289 H8 G 27 H8 G 27 -4.515 0.448 7.939
290 H1 G 27 H1 G 27 -7.793 4.767 4.548
291 1H2 G 27 1H2 G 27 -6.678 5.288 2.705
292 2H2 G 27 2H2 G 27 -5.139 4.555 2.316
293 1H5* G 28 1H5* G 28 -1.568 2.063 1.699
294 2H5* G 28 2H5* G 28 -1.443 0.615 0.671
295 H4* G 28 H4* G 28 -0.679 2.332 -0.706
296 H3* G 28 H3* G 28 1.642 0.957 0.620
297 H2* G 28 H2* G 28 3.201 2.502 -0.281
298 2HO* G 28 2HO* G 28 2.530 4.058 -1.832
299 H1* G 28 H1* G 28 1.811 4.728 0.267
300 H8 G 28 H8 G 28 0.737 2.699 3.165
301 H1 G 28 H1 G 28 6.870 4.414 3.648
302 1H2 G 28 1H2 G 28 7.613 5.181 1.717
303 2H2 G 28 2H2 G 28 6.592 5.275 0.297
304 1H5* U 29 1H5* U 29 2.808 1.135 -3.498
305 2H5* U 29 2H5* U 29 3.518 -0.417 -4.022
306 H4* U 29 H4* U 29 5.012 1.526 -4.423
307 H3* U 29 H3* U 29 5.953 -0.487 -2.367
308 H2* U 29 H2* U 29 8.002 0.713 -2.252
309 2HO* U 29 2HO* U 29 8.515 2.307 -3.782
310 H1* U 29 H1* U 29 6.790 3.214 -2.443
311 H3 U 29 H3 U 29 8.826 2.546 1.712
312 H5 U 29 H5 U 29 4.908 1.027 2.047
313 H6 U 29 H6 U 29 4.671 1.298 -0.338
314 1H5* C 30 1H5* C 30 9.180 0.019 -5.004
315 2H5* C 30 2H5* C 30 10.120 -1.490 -5.154
316 H4* C 30 H4* C 30 11.318 0.580 -4.192
317 H3* C 30 H3* C 30 11.280 -2.056 -2.710
318 H2* C 30 H2* C 30 12.699 -1.100 -1.051
319 2HO* C 30 2HO* C 30 13.698 0.920 -1.396
320 H1* C 30 H1* C 30 11.406 1.361 -1.035
321 1H4 C 30 1H4 C 30 9.091 -2.148 3.823
322 2H4 C 30 2H4 C 30 7.685 -2.489 2.843
323 H5 C 30 H5 C 30 7.513 -1.845 0.486
324 H6 C 30 H6 C 30 8.661 -0.770 -1.343
325 1H5* C 31 1H5* C 31 15.254 -1.122 -2.365
326 2H5* C 31 2H5* C 31 16.193 -2.436 -3.124
327 H4* C 31 H4* C 31 17.120 -2.087 -0.951
328 H3* C 31 H3* C 31 15.266 -4.481 -0.933
329 H2* C 31 H2* C 31 15.956 -4.898 1.325
330 2HO* C 31 2HO* C 31 18.215 -4.241 0.930
331 H1* C 31 H1* C 31 15.712 -2.266 2.074
332 1H4 C 31 1H4 C 31 10.026 -4.882 3.288
333 2H4 C 31 2H4 C 31 9.511 -4.563 1.647
334 H5 C 31 H5 C 31 11.020 -3.667 -0.071
335 H6 C 31 H6 C 31 13.278 -2.919 -0.496
336 1H5* U 32 1H5* U 32 18.206 -6.455 1.075
337 2H5* U 32 2H5* U 32 18.833 -7.611 -0.127
338 H4* U 32 H4* U 32 18.475 -8.920 1.777
339 H3* U 32 H3* U 32 15.981 -9.128 0.080
340 H2* U 32 H2* U 32 15.181 -10.744 1.618
341 2HO* U 32 2HO* U 32 16.513 -11.520 3.287
342 H1* U 32 H1* U 32 15.838 -9.323 3.804
343 H3 U 32 H3 U 32 11.372 -9.170 3.346
344 H5 U 32 H5 U 32 12.760 -6.090 0.875
345 H6 U 32 H6 U 32 15.047 -6.919 1.233
346 1H5* C 33 1H5* C 33 17.265 -13.098 1.249
347 2H5* C 33 2H5* C 33 16.665 -14.296 0.075
348 H4* C 33 H4* C 33 15.895 -14.570 2.501
349 H3* C 33 H3* C 33 13.792 -14.261 0.339
350 H2* C 33 H2* C 33 12.184 -14.800 2.021
351 2HO* C 33 2HO* C 33 12.863 -15.442 4.108
352 H1* C 33 H1* C 33 13.340 -13.161 3.913
353 1H4 C 33 1H4 C 33 8.763 -9.730 1.069
354 2H4 C 33 2H4 C 33 9.900 -9.207 -0.156
355 H5 C 33 H5 C 33 12.202 -10.078 -0.303
356 H6 C 33 H6 C 33 13.785 -11.609 0.695
357 1H5* C 34 1H5* C 34 12.968 -17.733 2.803
358 2H5* C 34 2H5* C 34 12.249 -18.994 1.775
359 H4* C 34 H4* C 34 10.916 -18.342 3.834
360 H3* C 34 H3* C 34 9.635 -18.038 1.106
361 H2* C 34 H2* C 34 7.587 -17.503 2.217
362 2HO* C 34 2HO* C 34 7.455 -17.720 4.520
363 H1* C 34 H1* C 34 8.822 -15.913 4.149
364 1H4 C 34 1H4 C 34 6.680 -11.993 -0.431
365 2H4 C 34 2H4 C 34 8.223 -12.114 -1.250
366 H5 C 34 H5 C 34 10.002 -13.655 -0.530
367 H6 C 34 H6 C 34 10.601 -15.332 1.100
Start of MODEL 14
1 1H5* G 1 1H5* G 1 -1.652 -12.215 1.460
2 2H5* G 1 2H5* G 1 -0.250 -12.390 0.404
3 H4* G 1 H4* G 1 -1.207 -14.461 2.391
4 H3* G 1 H3* G 1 1.082 -12.486 2.533
5 H2* G 1 H2* G 1 2.299 -14.099 3.805
6 2HO* G 1 2HO* G 1 1.315 -15.962 4.584
7 H1* G 1 H1* G 1 1.649 -16.188 2.172
8 H8 G 1 H8 G 1 2.077 -13.215 -0.082
9 H1 G 1 H1 G 1 7.660 -15.593 1.935
10 1H2 G 1 1H2 G 1 7.329 -17.043 3.570
11 2H2 G 1 2H2 G 1 5.728 -17.438 4.156
12 1H5* G 2 1H5* G 2 0.588 -13.821 6.651
13 2H5* G 2 2H5* G 2 0.994 -12.445 7.714
14 H4* G 2 H4* G 2 2.373 -14.578 8.008
15 H3* G 2 H3* G 2 3.782 -11.973 7.372
16 H2* G 2 H2* G 2 5.852 -13.122 7.712
17 2HO* G 2 2HO* G 2 5.852 -15.260 8.554
18 H1* G 2 H1* G 2 5.008 -15.419 6.384
19 H8 G 2 H8 G 2 3.719 -12.771 4.163
20 H1 G 2 H1 G 2 10.099 -13.071 3.922
21 1H2 G 2 1H2 G 2 10.878 -14.275 5.606
22 2H2 G 2 2H2 G 2 9.822 -15.018 6.786
23 1H5* A 3 1H5* A 3 5.693 -13.240 11.216
24 2H5* A 3 2H5* A 3 5.750 -11.728 12.165
25 H4* A 3 H4* A 3 7.955 -12.825 12.061
26 H3* A 3 H3* A 3 7.770 -10.241 10.494
27 H2* A 3 H2* A 3 10.158 -10.401 10.174
28 2HO* A 3 2HO* A 3 11.292 -12.156 11.165
29 H1* A 3 H1* A 3 10.027 -13.032 9.430
30 H8 A 3 H8 A 3 6.853 -11.534 8.108
31 1H6 A 3 1H6 A 3 10.189 -9.249 3.421
32 2H6 A 3 2H6 A 3 8.573 -9.535 4.029
33 H2 A 3 H2 A 3 13.002 -10.810 6.552
34 1H5* G 4 1H5* G 4 10.991 -9.617 13.119
35 2H5* G 4 2H5* G 4 10.958 -7.977 13.813
36 H4* G 4 H4* G 4 13.125 -8.493 12.752
37 H3* G 4 H3* G 4 11.483 -6.397 11.310
38 H2* G 4 H2* G 4 13.380 -6.043 9.876
39 2HO* G 4 2HO* G 4 15.047 -6.305 11.459
40 H1* G 4 H1* G 4 13.771 -8.717 9.462
41 H8 G 4 H8 G 4 10.068 -8.440 9.780
42 H1 G 4 H1 G 4 12.211 -6.115 4.230
43 1H2 G 4 1H2 G 4 14.406 -5.881 4.294
44 2H2 G 4 2H2 G 4 15.347 -6.314 5.704
45 1H5* G 5 1H5* G 5 15.255 -4.125 11.942
46 2H5* G 5 2H5* G 5 14.672 -2.524 12.469
47 H4* G 5 H4* G 5 16.220 -2.496 10.478
48 H3* G 5 H3* G 5 13.409 -1.431 10.095
49 H2* G 5 H2* G 5 14.069 -0.724 7.897
50 2HO* G 5 2HO* G 5 16.276 -1.000 7.249
51 H1* G 5 H1* G 5 15.318 -3.100 7.317
52 H8 G 5 H8 G 5 12.408 -4.202 9.366
53 H1 G 5 H1 G 5 10.627 -2.246 3.543
54 1H2 G 5 1H2 G 5 12.296 -1.195 2.537
55 2H2 G 5 2H2 G 5 13.848 -0.967 3.310
56 1H5* A 6 1H5* A 6 16.349 1.668 8.816
57 2H5* A 6 2H5* A 6 15.613 3.266 9.121
58 H4* A 6 H4* A 6 16.417 2.701 6.717
59 H3* A 6 H3* A 6 13.614 3.725 7.242
60 H2* A 6 H2* A 6 13.319 3.836 4.872
61 2HO* A 6 2HO* A 6 15.107 3.439 3.479
62 H1* A 6 H1* A 6 14.547 1.410 4.413
63 H8 A 6 H8 A 6 12.438 1.000 7.512
64 1H6 A 6 1H6 A 6 7.592 0.229 3.758
65 2H6 A 6 2H6 A 6 8.169 0.102 5.402
66 H2 A 6 H2 A 6 11.058 1.669 1.297
67 1H5* C 7 1H5* C 7 15.261 5.975 4.092
68 2H5* C 7 2H5* C 7 14.680 7.659 4.144
69 H4* C 7 H4* C 7 14.181 6.375 2.010
70 H3* C 7 H3* C 7 11.861 7.475 3.600
71 H2* C 7 H2* C 7 10.435 6.845 1.773
72 2HO* C 7 2HO* C 7 11.846 7.438 0.042
73 H1* C 7 H1* C 7 11.690 4.389 1.443
74 1H4 C 7 1H4 C 7 6.632 3.414 5.231
75 2H4 C 7 2H4 C 7 7.644 3.673 6.636
76 H5 C 7 H5 C 7 9.985 4.412 6.478
77 H6 C 7 H6 C 7 11.744 5.034 4.940
78 1H5* A 8 1H5* A 8 9.815 11.165 0.305
79 2H5* A 8 2H5* A 8 9.056 10.337 1.691
80 H4* A 8 H4* A 8 8.943 9.653 -1.241
81 H3* A 8 H3* A 8 6.918 10.149 0.934
82 H2* A 8 H2* A 8 5.419 8.520 0.030
83 2HO* A 8 2HO* A 8 5.973 7.449 -1.948
84 H1* A 8 H1* A 8 7.226 6.591 -0.236
85 H8 A 8 H8 A 8 9.030 7.930 2.562
86 1H6 A 8 1H6 A 8 4.396 6.467 6.389
87 2H6 A 8 2H6 A 8 6.077 6.936 6.282
88 H2 A 8 H2 A 8 2.872 6.254 2.186
89 1H5* U 9 1H5* U 9 4.672 9.713 -1.735
90 2H5* U 9 2H5* U 9 3.723 11.069 -2.401
91 H4* U 9 H4* U 9 2.313 9.116 -2.042
92 H3* U 9 H3* U 9 1.778 11.612 -0.590
93 H2* U 9 H2* U 9 0.726 10.674 1.246
94 2HO* U 9 2HO* U 9 -0.302 8.698 -0.503
95 H1* U 9 H1* U 9 1.414 7.974 1.056
96 H3 U 9 H3 U 9 1.883 9.769 5.336
97 H5 U 9 H5 U 9 5.555 10.267 3.349
98 H6 U 9 H6 U 9 4.447 9.620 1.294
99 1H5* U 10 1H5* U 10 -2.706 10.178 0.117
100 2H5* U 10 2H5* U 10 -3.240 11.186 -1.252
101 H4* U 10 H4* U 10 -4.319 11.594 1.070
102 H3* U 10 H3* U 10 -3.999 13.403 -0.994
103 H2* U 10 H2* U 10 -1.817 14.101 -0.206
104 2HO* U 10 2HO* U 10 -3.115 15.988 -0.432
105 H1* U 10 H1* U 10 -3.047 14.248 2.556
106 H3 U 10 H3 U 10 0.705 15.388 4.746
107 H5 U 10 H5 U 10 2.183 13.208 1.461
108 H6 U 10 H6 U 10 -0.094 12.927 0.706
109 1H5* C 11 1H5* C 11 -7.500 15.790 2.610
110 2H5* C 11 2H5* C 11 -6.075 14.719 2.630
111 H4* C 11 H4* C 11 -8.865 13.753 3.278
112 H3* C 11 H3* C 11 -7.470 15.509 4.985
113 H2* C 11 H2* C 11 -5.710 13.979 5.425
114 2HO* C 11 2HO* C 11 -6.198 12.817 7.361
115 H1* C 11 H1* C 11 -7.759 11.756 5.356
116 1H4 C 11 1H4 C 11 -2.610 8.033 5.745
117 2H4 C 11 2H4 C 11 -1.717 9.054 4.641
118 H5 C 11 H5 C 11 -2.644 11.119 3.700
119 H6 C 11 H6 C 11 -4.581 12.563 3.635
120 1H5* C 12 1H5* C 12 -11.299 12.859 4.889
121 2H5* C 12 2H5* C 12 -12.425 14.052 4.181
122 H4* C 12 H4* C 12 -13.857 12.436 5.065
123 H3* C 12 H3* C 12 -14.143 14.846 6.264
124 H2* C 12 H2* C 12 -12.550 14.434 8.009
125 2HO* C 12 2HO* C 12 -13.780 13.885 9.922
126 H1* C 12 H1* C 12 -13.739 11.696 8.511
127 1H4 C 12 1H4 C 12 -8.358 11.239 11.902
128 2H4 C 12 2H4 C 12 -7.397 11.706 10.518
129 H5 C 12 H5 C 12 -8.388 12.359 8.364
130 H6 C 12 H6 C 12 -10.470 12.679 7.181
131 1H5* U 13 1H5* U 13 -17.164 10.027 5.654
132 2H5* U 13 2H5* U 13 -15.785 10.931 6.325
133 H4* U 13 H4* U 13 -15.670 11.566 3.667
134 H3* U 13 H3* U 13 -17.335 9.551 3.275
135 H2* U 13 H2* U 13 -16.250 8.168 4.979
136 2HO* U 13 2HO* U 13 -15.267 7.282 2.458
137 H1* U 13 H1* U 13 -13.652 8.569 3.493
138 H3 U 13 H3 U 13 -11.954 5.692 6.675
139 H5 U 13 H5 U 13 -13.486 8.984 8.829
140 H6 U 13 H6 U 13 -14.423 9.796 6.794
141 1H5* C 14 1H5* C 14 -13.558 11.207 2.412
142 2H5* C 14 2H5* C 14 -13.656 12.847 1.724
143 H4* C 14 H4* C 14 -11.914 12.373 0.141
144 H3* C 14 H3* C 14 -12.172 9.496 1.029
145 H2* C 14 H2* C 14 -9.835 9.163 0.717
146 2HO* C 14 2HO* C 14 -8.564 10.818 -0.291
147 H1* C 14 H1* C 14 -9.063 11.573 1.778
148 1H4 C 14 1H4 C 14 -8.810 7.206 6.463
149 2H4 C 14 2H4 C 14 -10.327 7.829 7.055
150 H5 C 14 H5 C 14 -11.634 9.505 5.851
151 H6 C 14 H6 C 14 -11.736 10.857 3.855
152 1H5* A 15 1H5* A 15 -9.353 9.149 -2.111
153 2H5* A 15 2H5* A 15 -9.929 7.794 -3.109
154 H4* A 15 H4* A 15 -7.557 7.670 -2.021
155 H3* A 15 H3* A 15 -9.588 5.444 -1.963
156 H2* A 15 H2* A 15 -8.122 4.063 -0.660
157 2HO* A 15 2HO* A 15 -5.962 4.775 -0.253
158 H1* A 15 H1* A 15 -7.394 6.023 1.081
159 H8 A 15 H8 A 15 -10.897 6.153 -0.387
160 1H6 A 15 1H6 A 15 -12.620 3.189 4.831
161 2H6 A 15 2H6 A 15 -13.223 3.941 3.369
162 H2 A 15 H2 A 15 -8.138 3.605 4.729
163 1H5* C 16 1H5* C 16 -6.128 3.494 -3.187
164 2H5* C 16 2H5* C 16 -6.442 2.307 -4.484
165 H4* C 16 H4* C 16 -5.405 1.367 -2.386
166 H3* C 16 H3* C 16 -8.118 0.340 -3.253
167 H2* C 16 H2* C 16 -7.990 -1.269 -1.490
168 2HO* C 16 2HO* C 16 -6.054 -1.553 -0.321
169 H1* C 16 H1* C 16 -6.953 0.532 0.344
170 1H4 C 16 1H4 C 16 -13.257 0.269 1.309
171 2H4 C 16 2H4 C 16 -13.456 1.688 0.303
172 H5 C 16 H5 C 16 -11.602 2.695 -0.960
173 H6 C 16 H6 C 16 -9.247 2.507 -1.476
174 1H5* G 17 1H5* G 17 -5.126 -2.800 -2.777
175 2H5* G 17 2H5* G 17 -5.290 -4.049 -4.038
176 H4* G 17 H4* G 17 -5.056 -5.006 -1.765
177 H3* G 17 H3* G 17 -7.731 -5.432 -3.116
178 H2* G 17 H2* G 17 -8.370 -6.828 -1.265
179 2HO* G 17 2HO* G 17 -6.828 -7.312 0.370
180 H1* G 17 H1* G 17 -7.455 -5.064 0.620
181 H8 G 17 H8 G 17 -8.739 -2.960 -2.228
182 H1 G 17 H1 G 17 -13.421 -5.317 1.429
183 1H2 G 17 1H2 G 17 -12.624 -6.856 2.805
184 2H2 G 17 2H2 G 17 -10.931 -7.294 2.828
185 1H5* G 18 1H5* G 18 -6.586 -9.149 -1.826
186 2H5* G 18 2H5* G 18 -6.866 -10.413 -3.051
187 H4* G 18 H4* G 18 -7.937 -10.897 -0.853
188 H3* G 18 H3* G 18 -9.798 -10.434 -3.193
189 H2* G 18 H2* G 18 -11.617 -11.059 -1.776
190 2HO* G 18 2HO* G 18 -10.539 -12.849 -0.744
191 H1* G 18 H1* G 18 -10.584 -9.708 0.451
192 H8 G 18 H8 G 18 -10.215 -7.598 -2.688
193 H1 G 18 H1 G 18 -16.043 -7.281 -0.053
194 1H2 G 18 1H2 G 18 -16.250 -8.805 1.537
195 2H2 G 18 2H2 G 18 -14.952 -9.905 1.945
196 1H5* G 19 1H5* G 19 -11.797 -14.825 -4.982
197 2H5* G 19 2H5* G 19 -12.153 -13.116 -5.356
198 H4* G 19 H4* G 19 -13.441 -14.849 -3.230
199 H3* G 19 H3* G 19 -14.502 -13.511 -5.729
200 H2* G 19 H2* G 19 -16.641 -13.349 -4.662
201 2HO* G 19 2HO* G 19 -17.096 -14.455 -2.790
202 H1* G 19 H1* G 19 -15.585 -12.496 -2.266
203 H8 G 19 H8 G 19 -14.149 -11.416 -5.724
204 H1 G 19 H1 G 19 -18.022 -7.186 -2.892
205 1H2 G 19 1H2 G 19 -18.827 -8.025 -1.021
206 2H2 G 19 2H2 G 19 -18.408 -9.626 -0.458
207 1H5* U 20 1H5* U 20 -16.079 -13.945 -8.424
208 2H5* U 20 2H5* U 20 -16.324 -14.273 -6.693
209 H4* U 20 H4* U 20 -17.885 -15.397 -9.031
210 H3* U 20 H3* U 20 -18.655 -13.716 -6.633
211 H2* U 20 H2* U 20 -20.834 -14.653 -6.760
212 2HO* U 20 2HO* U 20 -21.439 -15.892 -8.634
213 H1* U 20 H1* U 20 -19.896 -17.201 -7.565
214 H3 U 20 H3 U 20 -21.044 -18.871 -3.597
215 H5 U 20 H5 U 20 -19.292 -15.203 -2.535
216 H6 U 20 H6 U 20 -18.873 -14.792 -4.908
217 1H5* G 21 1H5* G 21 -20.068 -9.722 -6.067
218 2H5* G 21 2H5* G 21 -19.376 -11.195 -5.337
219 H4* G 21 H4* G 21 -22.341 -10.870 -5.793
220 H3* G 21 H3* G 21 -20.723 -9.940 -3.424
221 H2* G 21 H2* G 21 -22.454 -10.680 -1.956
222 2HO* G 21 2HO* G 21 -23.946 -11.171 -4.345
223 H1* G 21 H1* G 21 -22.794 -13.073 -3.146
224 H8 G 21 H8 G 21 -19.149 -11.949 -3.392
225 H1 G 21 H1 G 21 -20.593 -15.004 2.033
226 1H2 G 21 1H2 G 21 -22.775 -15.329 2.171
227 2H2 G 21 2H2 G 21 -23.879 -14.790 0.928
228 1H5* A 22 1H5* A 22 -24.513 -8.108 -2.986
229 2H5* A 22 2H5* A 22 -24.506 -6.609 -2.017
230 H4* A 22 H4* A 22 -25.799 -8.468 -0.971
231 H3* A 22 H3* A 22 -23.318 -7.566 0.505
232 H2* A 22 H2* A 22 -24.010 -8.992 2.318
233 2HO* A 22 2HO* A 22 -26.359 -9.409 0.725
234 H1* A 22 H1* A 22 -24.483 -11.099 0.645
235 H8 A 22 H8 A 22 -21.601 -9.284 -0.925
236 1H6 A 22 1H6 A 22 -17.907 -12.047 3.179
237 2H6 A 22 2H6 A 22 -17.966 -11.094 1.715
238 H2 A 22 H2 A 22 -22.144 -12.737 4.417
239 1H5* C 23 1H5* C 23 -24.605 -7.047 3.088
240 2H5* C 23 2H5* C 23 -24.149 -5.774 4.245
241 H4* C 23 H4* C 23 -22.937 -7.996 4.469
242 H3* C 23 H3* C 23 -21.313 -5.495 3.969
243 H2* C 23 H2* C 23 -19.349 -6.822 4.339
244 2HO* C 23 2HO* C 23 -21.161 -8.927 5.046
245 H1* C 23 H1* C 23 -20.270 -8.922 2.797
246 1H4 C 23 1H4 C 23 -16.804 -5.220 -1.093
247 2H4 C 23 2H4 C 23 -18.230 -4.279 -1.469
248 H5 C 23 H5 C 23 -20.384 -4.607 -0.339
249 H6 C 23 H6 C 23 -21.558 -5.906 1.330
250 1H5* C 24 1H5* C 24 -19.902 -7.385 7.525
251 2H5* C 24 2H5* C 24 -19.247 -6.206 8.693
252 H4* C 24 H4* C 24 -17.630 -8.000 8.018
253 H3* C 24 H3* C 24 -16.899 -5.162 7.248
254 H2* C 24 H2* C 24 -14.756 -6.029 6.598
255 2HO* C 24 2HO* C 24 -15.658 -8.512 7.707
256 H1* C 24 H1* C 24 -15.861 -8.237 5.333
257 1H4 C 24 1H4 C 24 -15.051 -3.866 0.751
258 2H4 C 24 2H4 C 24 -16.528 -3.060 1.223
259 H5 C 24 H5 C 24 -17.847 -3.736 3.175
260 H6 C 24 H6 C 24 -17.984 -5.295 5.011
261 1H5* G 25 1H5* G 25 -13.822 -6.929 9.569
262 2H5* G 25 2H5* G 25 -12.896 -5.756 10.538
263 H4* G 25 H4* G 25 -11.551 -7.200 8.941
264 H3* G 25 H3* G 25 -11.442 -4.189 8.651
265 H2* G 25 H2* G 25 -9.746 -4.497 6.982
266 2HO* G 25 2HO* G 25 -8.962 -6.615 6.544
267 H1* G 25 H1* G 25 -11.124 -6.463 5.680
268 H8 G 25 H8 G 25 -13.928 -4.307 6.779
269 H1 G 25 H1 G 25 -10.420 -1.467 2.235
270 1H2 G 25 1H2 G 25 -8.508 -2.560 1.967
271 2H2 G 25 2H2 G 25 -8.103 -3.981 2.900
272 1H5* U 26 1H5* U 26 -7.629 -5.051 8.413
273 2H5* U 26 2H5* U 26 -6.601 -3.993 9.417
274 H4* U 26 H4* U 26 -6.118 -4.001 6.914
275 H3* U 26 H3* U 26 -6.788 -1.414 8.331
276 H2* U 26 H2* U 26 -6.416 -0.231 6.297
277 2HO* U 26 2HO* U 26 -5.417 -1.239 4.524
278 H1* U 26 H1* U 26 -7.597 -2.167 4.675
279 H3 U 26 H3 U 26 -9.911 1.890 4.861
280 H5 U 26 H5 U 26 -11.735 -0.746 7.594
281 H6 U 26 H6 U 26 -9.855 -2.242 7.306
282 1H5* G 27 1H5* G 27 -3.081 -1.552 6.071
283 2H5* G 27 2H5* G 27 -1.799 -0.451 6.637
284 H4* G 27 H4* G 27 -2.942 -0.451 4.130
285 H3* G 27 H3* G 27 -0.859 0.963 5.215
286 H2* G 27 H2* G 27 -2.247 2.533 6.339
287 2HO* G 27 2HO* G 27 -2.158 4.473 5.158
288 H1* G 27 H1* G 27 -3.940 2.763 3.836
289 H8 G 27 H8 G 27 -4.571 2.063 7.580
290 H1 G 27 H1 G 27 -7.547 7.191 5.205
291 1H2 G 27 1H2 G 27 -6.959 7.518 3.100
292 2H2 G 27 2H2 G 27 -5.839 6.454 2.278
293 1H5* G 28 1H5* G 28 -1.871 2.309 0.448
294 2H5* G 28 2H5* G 28 -2.152 0.806 -0.463
295 H4* G 28 H4* G 28 -0.931 1.988 -1.995
296 H3* G 28 H3* G 28 1.050 0.503 -0.284
297 H2* G 28 H2* G 28 2.882 1.568 -1.345
298 2HO* G 28 2HO* G 28 0.936 2.607 -3.162
299 H1* G 28 H1* G 28 1.880 4.055 -1.273
300 H8 G 28 H8 G 28 0.458 2.485 1.844
301 H1 G 28 H1 G 28 6.630 4.043 2.431
302 1H2 G 28 1H2 G 28 7.488 4.554 0.463
303 2H2 G 28 2H2 G 28 6.540 4.514 -1.007
304 1H5* U 29 1H5* U 29 2.348 -0.129 -4.285
305 2H5* U 29 2H5* U 29 2.942 -1.794 -4.532
306 H4* U 29 H4* U 29 4.612 -0.049 -5.125
307 H3* U 29 H3* U 29 5.306 -1.795 -2.751
308 H2* U 29 H2* U 29 7.437 -0.756 -2.739
309 2HO* U 29 2HO* U 29 8.098 0.572 -4.487
310 H1* U 29 H1* U 29 6.436 1.763 -3.427
311 H3 U 29 H3 U 29 8.374 1.840 0.817
312 H5 U 29 H5 U 29 4.434 0.440 1.360
313 H6 U 29 H6 U 29 4.224 0.296 -1.033
314 1H5* C 30 1H5* C 30 8.602 -1.850 -5.484
315 2H5* C 30 2H5* C 30 9.542 -3.354 -5.296
316 H4* C 30 H4* C 30 10.657 -1.042 -4.756
317 H3* C 30 H3* C 30 10.832 -3.457 -2.952
318 H2* C 30 H2* C 30 12.225 -2.215 -1.467
319 2HO* C 30 2HO* C 30 12.291 -0.209 -3.509
320 H1* C 30 H1* C 30 10.776 0.138 -1.689
321 1H4 C 30 1H4 C 30 8.758 -2.999 3.557
322 2H4 C 30 2H4 C 30 7.326 -3.445 2.662
323 H5 C 30 H5 C 30 7.058 -3.011 0.271
324 H6 C 30 H6 C 30 8.116 -2.080 -1.683
325 1H5* C 31 1H5* C 31 14.693 -2.199 -3.034
326 2H5* C 31 2H5* C 31 15.796 -3.522 -3.493
327 H4* C 31 H4* C 31 16.554 -2.520 -1.415
328 H3* C 31 H3* C 31 15.272 -5.236 -1.038
329 H2* C 31 H2* C 31 15.872 -5.136 1.278
330 2HO* C 31 2HO* C 31 17.204 -3.460 2.052
331 H1* C 31 H1* C 31 15.062 -2.530 1.583
332 1H4 C 31 1H4 C 31 9.998 -6.114 3.094
333 2H4 C 31 2H4 C 31 9.458 -6.052 1.432
334 H5 C 31 H5 C 31 10.791 -5.044 -0.364
335 H6 C 31 H6 C 31 12.871 -3.926 -0.864
336 1H5* U 32 1H5* U 32 18.273 -5.926 1.375
337 2H5* U 32 2H5* U 32 19.329 -7.132 0.596
338 H4* U 32 H4* U 32 19.009 -7.946 2.772
339 H3* U 32 H3* U 32 16.990 -9.291 0.971
340 H2* U 32 H2* U 32 16.337 -10.623 2.832
341 2HO* U 32 2HO* U 32 17.489 -10.474 4.809
342 H1* U 32 H1* U 32 16.220 -8.553 4.558
343 H3 U 32 H3 U 32 11.971 -9.698 3.589
344 H5 U 32 H5 U 32 13.111 -7.172 0.437
345 H6 U 32 H6 U 32 15.400 -7.246 1.297
346 1H5* C 33 1H5* C 33 18.992 -12.278 3.329
347 2H5* C 33 2H5* C 33 19.113 -13.807 2.421
348 H4* C 33 H4* C 33 17.950 -14.011 4.636
349 H3* C 33 H3* C 33 16.275 -14.590 2.179
350 H2* C 33 H2* C 33 14.577 -15.355 3.674
351 2HO* C 33 2HO* C 33 15.007 -15.496 5.925
352 H1* C 33 H1* C 33 14.893 -13.239 5.411
353 1H4 C 33 1H4 C 33 10.199 -11.587 1.414
354 2H4 C 33 2H4 C 33 11.368 -10.988 0.256
355 H5 C 33 H5 C 33 13.800 -11.234 0.564
356 H6 C 33 H6 C 33 15.509 -12.111 2.030
357 1H5* C 34 1H5* C 34 15.885 -17.816 5.012
358 2H5* C 34 2H5* C 34 15.761 -19.343 4.109
359 H4* C 34 H4* C 34 13.889 -18.908 5.742
360 H3* C 34 H3* C 34 13.183 -19.188 2.811
361 H2* C 34 H2* C 34 10.880 -19.144 3.448
362 2HO* C 34 2HO* C 34 10.300 -19.246 5.667
363 H1* C 34 H1* C 34 11.242 -17.130 5.346
364 1H4 C 34 1H4 C 34 9.184 -14.263 0.019
365 2H4 C 34 2H4 C 34 10.835 -14.109 -0.545
366 H5 C 34 H5 C 34 12.750 -15.115 0.632
367 H6 C 34 H6 C 34 13.401 -16.432 2.550
Start of MODEL 15
1 1H5* G 1 1H5* G 1 -3.280 -9.019 -2.805
2 2H5* G 1 2H5* G 1 -1.803 -9.321 -3.719
3 H4* G 1 H4* G 1 -3.274 -11.377 -2.051
4 H3* G 1 H3* G 1 -0.747 -9.813 -1.474
5 H2* G 1 H2* G 1 0.034 -11.696 -0.235
6 2HO* G 1 2HO* G 1 -1.357 -13.472 0.164
7 H1* G 1 H1* G 1 -0.782 -13.527 -2.106
8 H8 G 1 H8 G 1 0.510 -10.561 -4.010
9 H1 G 1 H1 G 1 5.211 -14.191 -1.622
10 1H2 G 1 1H2 G 1 4.389 -15.652 -0.165
11 2H2 G 1 2H2 G 1 2.681 -15.738 0.203
12 1H5* G 2 1H5* G 2 -1.902 -11.608 2.232
13 2H5* G 2 2H5* G 2 -1.440 -10.522 3.569
14 H4* G 2 H4* G 2 -0.440 -12.903 3.536
15 H3* G 2 H3* G 2 1.371 -10.480 3.720
16 H2* G 2 H2* G 2 3.187 -11.996 4.063
17 2HO* G 2 2HO* G 2 2.803 -14.198 4.469
18 H1* G 2 H1* G 2 2.249 -13.831 2.168
19 H8 G 2 H8 G 2 1.811 -10.786 0.231
20 H1 G 2 H1 G 2 8.029 -11.818 1.327
21 1H2 G 2 1H2 G 2 8.287 -13.325 2.924
22 2H2 G 2 2H2 G 2 6.925 -14.082 3.720
23 1H5* A 3 1H5* A 3 2.531 -12.965 7.008
24 2H5* A 3 2H5* A 3 2.354 -11.956 8.467
25 H4* A 3 H4* A 3 4.478 -13.093 8.575
26 H3* A 3 H3* A 3 4.833 -10.196 7.772
27 H2* A 3 H2* A 3 7.208 -10.543 8.012
28 2HO* A 3 2HO* A 3 7.963 -12.587 8.774
29 H1* A 3 H1* A 3 7.141 -12.917 6.625
30 H8 A 3 H8 A 3 4.596 -10.754 4.930
31 1H6 A 3 1H6 A 3 9.274 -7.969 1.993
32 2H6 A 3 2H6 A 3 7.538 -8.165 2.072
33 H2 A 3 H2 A 3 10.981 -10.527 5.265
34 1H5* G 4 1H5* G 4 7.395 -10.861 10.868
35 2H5* G 4 2H5* G 4 7.291 -9.600 12.120
36 H4* G 4 H4* G 4 9.611 -9.962 11.472
37 H3* G 4 H3* G 4 8.495 -7.361 10.403
38 H2* G 4 H2* G 4 10.723 -6.830 9.693
39 2HO* G 4 2HO* G 4 12.458 -8.226 10.262
40 H1* G 4 H1* G 4 11.161 -9.353 8.659
41 H8 G 4 H8 G 4 7.563 -8.497 7.963
42 H1 G 4 H1 G 4 11.644 -5.589 3.976
43 1H2 G 4 1H2 G 4 13.719 -5.807 4.710
44 2H2 G 4 2H2 G 4 14.099 -6.680 6.178
45 1H5* G 5 1H5* G 5 11.829 -6.250 12.830
46 2H5* G 5 2H5* G 5 11.518 -4.725 13.701
47 H4* G 5 H4* G 5 13.588 -4.661 12.326
48 H3* G 5 H3* G 5 11.344 -2.829 11.435
49 H2* G 5 H2* G 5 12.841 -1.915 9.815
50 2HO* G 5 2HO* G 5 15.073 -2.574 9.842
51 H1* G 5 H1* G 5 13.910 -4.379 9.116
52 H8 G 5 H8 G 5 10.208 -4.903 9.533
53 H1 G 5 H1 G 5 11.702 -1.947 4.056
54 1H2 G 5 1H2 G 5 13.818 -1.294 4.101
55 2H2 G 5 2H2 G 5 14.859 -1.594 5.473
56 1H5* A 6 1H5* A 6 14.684 -0.302 11.606
57 2H5* A 6 2H5* A 6 14.192 1.304 12.209
58 H4* A 6 H4* A 6 15.241 1.220 9.878
59 H3* A 6 H3* A 6 12.486 2.412 10.266
60 H2* A 6 H2* A 6 12.478 3.019 7.974
61 2HO* A 6 2HO* A 6 14.392 2.945 6.732
62 H1* A 6 H1* A 6 13.790 0.700 7.109
63 H8 A 6 H8 A 6 10.949 0.053 9.616
64 1H6 A 6 1H6 A 6 7.231 -0.232 4.635
65 2H6 A 6 2H6 A 6 7.327 -0.489 6.369
66 H2 A 6 H2 A 6 11.261 1.171 3.331
67 1H5* C 7 1H5* C 7 14.784 5.350 8.037
68 2H5* C 7 2H5* C 7 14.070 6.958 8.336
69 H4* C 7 H4* C 7 13.976 6.067 5.935
70 H3* C 7 H3* C 7 11.449 6.912 7.356
71 H2* C 7 H2* C 7 10.214 6.493 5.352
72 2HO* C 7 2HO* C 7 11.357 6.011 3.399
73 H1* C 7 H1* C 7 11.602 4.158 4.734
74 1H4 C 7 1H4 C 7 6.399 2.085 7.718
75 2H4 C 7 2H4 C 7 6.992 2.647 9.267
76 H5 C 7 H5 C 7 9.107 3.896 9.511
77 H6 C 7 H6 C 7 10.990 4.814 8.292
78 1H5* A 8 1H5* A 8 11.288 8.929 3.704
79 2H5* A 8 2H5* A 8 10.795 10.631 3.913
80 H4* A 8 H4* A 8 9.391 9.291 2.296
81 H3* A 8 H3* A 8 8.124 10.610 4.697
82 H2* A 8 H2* A 8 5.974 9.762 4.071
83 2HO* A 8 2HO* A 8 5.838 8.516 2.070
84 H1* A 8 H1* A 8 6.802 7.272 3.551
85 H8 A 8 H8 A 8 9.136 7.758 6.253
86 1H6 A 8 1H6 A 8 4.479 7.548 10.313
87 2H6 A 8 2H6 A 8 6.216 7.484 10.120
88 H2 A 8 H2 A 8 2.762 8.112 6.224
89 1H5* U 9 1H5* U 9 5.280 10.831 2.145
90 2H5* U 9 2H5* U 9 4.938 12.498 1.636
91 H4* U 9 H4* U 9 2.889 11.216 2.208
92 H3* U 9 H3* U 9 3.624 13.682 3.700
93 H2* U 9 H2* U 9 2.099 13.334 5.379
94 2HO* U 9 2HO* U 9 0.190 12.168 5.137
95 H1* U 9 H1* U 9 1.896 10.532 5.343
96 H3 U 9 H3 U 9 3.109 12.051 9.541
97 H5 U 9 H5 U 9 6.654 11.444 7.373
98 H6 U 9 H6 U 9 5.307 11.177 5.382
99 1H5* U 10 1H5* U 10 0.256 16.821 1.408
100 2H5* U 10 2H5* U 10 0.977 15.801 2.672
101 H4* U 10 H4* U 10 -0.758 14.288 0.892
102 H3* U 10 H3* U 10 -1.902 16.862 1.708
103 H2* U 10 H2* U 10 -2.449 16.031 3.866
104 2HO* U 10 2HO* U 10 -4.460 14.900 3.865
105 H1* U 10 H1* U 10 -2.523 13.289 2.586
106 H3 U 10 H3 U 10 -3.988 11.704 6.639
107 H5 U 10 H5 U 10 -0.318 13.593 7.482
108 H6 U 10 H6 U 10 -0.286 14.406 5.176
109 1H5* C 11 1H5* C 11 -6.606 15.294 0.922
110 2H5* C 11 2H5* C 11 -5.179 14.256 1.172
111 H4* C 11 H4* C 11 -7.085 13.900 -1.143
112 H3* C 11 H3* C 11 -7.984 13.397 1.391
113 H2* C 11 H2* C 11 -6.170 11.985 2.010
114 2HO* C 11 2HO* C 11 -7.707 9.976 0.788
115 H1* C 11 H1* C 11 -6.338 10.598 -0.670
116 1H4 C 11 1H4 C 11 -0.772 8.169 1.268
117 2H4 C 11 2H4 C 11 -0.311 9.669 2.038
118 H5 C 11 H5 C 11 -1.762 11.655 2.072
119 H6 C 11 H6 C 11 -3.901 12.532 1.365
120 1H5* C 12 1H5* C 12 -10.471 10.421 0.412
121 2H5* C 12 2H5* C 12 -11.605 10.854 -0.898
122 H4* C 12 H4* C 12 -13.324 10.226 0.365
123 H3* C 12 H3* C 12 -12.895 12.666 1.564
124 H2* C 12 H2* C 12 -11.370 11.837 3.206
125 2HO* C 12 2HO* C 12 -13.187 12.808 4.307
126 H1* C 12 H1* C 12 -13.171 9.432 3.643
127 1H4 C 12 1H4 C 12 -8.120 7.511 7.017
128 2H4 C 12 2H4 C 12 -7.022 7.982 5.742
129 H5 C 12 H5 C 12 -7.776 9.071 3.671
130 H6 C 12 H6 C 12 -9.704 9.898 2.479
131 1H5* U 13 1H5* U 13 -17.241 8.965 1.387
132 2H5* U 13 2H5* U 13 -15.556 9.396 1.768
133 H4* U 13 H4* U 13 -15.651 9.840 -0.919
134 H3* U 13 H3* U 13 -17.954 8.537 -0.894
135 H2* U 13 H2* U 13 -17.164 6.874 0.704
136 2HO* U 13 2HO* U 13 -16.910 5.680 -1.867
137 H1* U 13 H1* U 13 -14.829 6.324 -1.125
138 H3 U 13 H3 U 13 -13.796 3.123 2.041
139 H5 U 13 H5 U 13 -13.768 6.809 4.104
140 H6 U 13 H6 U 13 -14.649 7.836 2.138
141 1H5* C 14 1H5* C 14 -14.003 7.642 -4.239
142 2H5* C 14 2H5* C 14 -13.728 7.374 -2.500
143 H4* C 14 H4* C 14 -12.085 9.236 -4.256
144 H3* C 14 H3* C 14 -11.579 6.396 -3.355
145 H2* C 14 H2* C 14 -9.281 6.864 -2.984
146 2HO* C 14 2HO* C 14 -8.332 8.784 -3.789
147 H1* C 14 H1* C 14 -9.648 9.419 -1.977
148 1H4 C 14 1H4 C 14 -9.084 5.767 3.212
149 2H4 C 14 2H4 C 14 -10.743 5.249 3.048
150 H5 C 14 H5 C 14 -12.151 5.888 1.159
151 H6 C 14 H6 C 14 -12.218 7.121 -0.913
152 1H5* A 15 1H5* A 15 -8.370 6.554 -5.339
153 2H5* A 15 2H5* A 15 -8.310 5.359 -6.661
154 H4* A 15 H4* A 15 -6.392 4.944 -5.333
155 H3* A 15 H3* A 15 -8.597 2.999 -4.653
156 H2* A 15 H2* A 15 -7.207 1.939 -3.015
157 2HO* A 15 2HO* A 15 -4.990 2.572 -2.836
158 H1* A 15 H1* A 15 -6.278 4.278 -1.936
159 H8 A 15 H8 A 15 -9.810 4.536 -3.200
160 1H6 A 15 1H6 A 15 -11.447 2.717 2.569
161 2H6 A 15 2H6 A 15 -12.081 3.315 1.048
162 H2 A 15 H2 A 15 -6.984 2.416 2.042
163 1H5* C 16 1H5* C 16 -5.178 0.587 -5.602
164 2H5* C 16 2H5* C 16 -5.639 -0.899 -6.478
165 H4* C 16 H4* C 16 -4.358 -1.320 -4.381
166 H3* C 16 H3* C 16 -7.215 -2.314 -4.471
167 H2* C 16 H2* C 16 -6.826 -3.378 -2.362
168 2HO* C 16 2HO* C 16 -4.730 -3.499 -1.495
169 H1* C 16 H1* C 16 -5.417 -1.223 -1.325
170 1H4 C 16 1H4 C 16 -11.401 -0.524 0.760
171 2H4 C 16 2H4 C 16 -11.824 0.336 -0.705
172 H5 C 16 H5 C 16 -10.279 0.585 -2.598
173 H6 C 16 H6 C 16 -8.063 0.060 -3.406
174 1H5* G 17 1H5* G 17 -4.543 -5.518 -3.513
175 2H5* G 17 2H5* G 17 -4.938 -6.972 -4.466
176 H4* G 17 H4* G 17 -4.613 -7.529 -2.106
177 H3* G 17 H3* G 17 -7.484 -7.709 -3.044
178 H2* G 17 H2* G 17 -8.053 -8.626 -0.897
179 2HO* G 17 2HO* G 17 -6.407 -9.127 0.602
180 H1* G 17 H1* G 17 -6.608 -6.744 0.484
181 H8 G 17 H8 G 17 -7.975 -4.974 -2.543
182 H1 G 17 H1 G 17 -12.359 -5.807 2.041
183 1H2 G 17 1H2 G 17 -11.606 -7.205 3.584
184 2H2 G 17 2H2 G 17 -10.014 -7.926 3.486
185 1H5* G 18 1H5* G 18 -6.710 -11.430 -1.386
186 2H5* G 18 2H5* G 18 -7.415 -12.760 -2.343
187 H4* G 18 H4* G 18 -8.156 -12.756 0.030
188 H3* G 18 H3* G 18 -10.305 -12.175 -2.023
189 H2* G 18 H2* G 18 -11.901 -12.282 -0.243
190 2HO* G 18 2HO* G 18 -11.293 -13.040 1.812
191 H1* G 18 H1* G 18 -10.261 -10.891 1.540
192 H8 G 18 H8 G 18 -10.056 -9.270 -1.877
193 H1 G 18 H1 G 18 -15.310 -7.638 1.400
194 1H2 G 18 1H2 G 18 -15.520 -8.916 3.194
195 2H2 G 18 2H2 G 18 -14.367 -10.173 3.581
196 1H5* G 19 1H5* G 19 -11.509 -15.518 0.299
197 2H5* G 19 2H5* G 19 -12.337 -16.757 -0.683
198 H4* G 19 H4* G 19 -13.582 -15.935 1.379
199 H3* G 19 H3* G 19 -14.871 -15.662 -1.344
200 H2* G 19 H2* G 19 -16.864 -14.899 -0.237
201 2HO* G 19 2HO* G 19 -16.993 -14.946 2.044
202 H1* G 19 H1* G 19 -15.502 -13.209 1.452
203 H8 G 19 H8 G 19 -14.343 -13.758 -2.233
204 H1 G 19 H1 G 19 -17.946 -8.566 -1.231
205 1H2 G 19 1H2 G 19 -18.626 -8.499 0.865
206 2H2 G 19 2H2 G 19 -18.194 -9.733 2.028
207 1H5* U 20 1H5* U 20 -16.467 -15.953 -3.634
208 2H5* U 20 2H5* U 20 -17.161 -15.684 -2.014
209 H4* U 20 H4* U 20 -18.334 -17.220 -4.339
210 H3* U 20 H3* U 20 -19.294 -14.921 -2.618
211 H2* U 20 H2* U 20 -21.544 -15.602 -2.970
212 2HO* U 20 2HO* U 20 -21.294 -16.041 -5.260
213 H1* U 20 H1* U 20 -20.996 -18.335 -2.830
214 H3 U 20 H3 U 20 -23.160 -18.103 1.086
215 H5 U 20 H5 U 20 -20.002 -15.369 1.597
216 H6 U 20 H6 U 20 -19.353 -15.789 -0.698
217 1H5* G 21 1H5* G 21 -20.789 -11.309 -3.479
218 2H5* G 21 2H5* G 21 -19.798 -12.323 -2.393
219 H4* G 21 H4* G 21 -22.819 -12.132 -2.262
220 H3* G 21 H3* G 21 -20.725 -10.664 -0.647
221 H2* G 21 H2* G 21 -22.218 -10.762 1.218
222 2HO* G 21 2HO* G 21 -24.105 -11.818 -0.657
223 H1* G 21 H1* G 21 -22.871 -13.379 0.826
224 H8 G 21 H8 G 21 -19.212 -12.591 -0.013
225 H1 G 21 H1 G 21 -20.259 -14.085 6.111
226 1H2 G 21 1H2 G 21 -22.429 -14.249 6.501
227 2H2 G 21 2H2 G 21 -23.623 -13.981 5.252
228 1H5* A 22 1H5* A 22 -24.423 -8.049 -0.315
229 2H5* A 22 2H5* A 22 -23.942 -6.538 0.505
230 H4* A 22 H4* A 22 -25.488 -8.248 1.744
231 H3* A 22 H3* A 22 -23.026 -7.038 3.016
232 H2* A 22 H2* A 22 -23.635 -8.154 5.062
233 2HO* A 22 2HO* A 22 -25.618 -9.200 5.264
234 H1* A 22 H1* A 22 -24.157 -10.526 3.788
235 H8 A 22 H8 A 22 -21.296 -9.165 1.852
236 1H6 A 22 1H6 A 22 -17.558 -11.099 6.368
237 2H6 A 22 2H6 A 22 -17.636 -10.481 4.734
238 H2 A 22 H2 A 22 -21.774 -11.362 7.829
239 1H5* C 23 1H5* C 23 -22.358 -4.333 5.384
240 2H5* C 23 2H5* C 23 -22.346 -5.408 3.970
241 H4* C 23 H4* C 23 -21.735 -6.695 6.552
242 H3* C 23 H3* C 23 -19.876 -4.637 5.350
243 H2* C 23 H2* C 23 -18.023 -6.038 5.924
244 2HO* C 23 2HO* C 23 -18.360 -7.936 7.149
245 H1* C 23 H1* C 23 -19.179 -8.306 4.959
246 1H4 C 23 1H4 C 23 -16.091 -5.779 -0.017
247 2H4 C 23 2H4 C 23 -17.496 -4.815 -0.419
248 H5 C 23 H5 C 23 -19.500 -4.727 1.000
249 H6 C 23 H6 C 23 -20.517 -5.558 3.039
250 1H5* C 24 1H5* C 24 -18.291 -5.894 9.118
251 2H5* C 24 2H5* C 24 -17.352 -4.591 9.893
252 H4* C 24 H4* C 24 -16.078 -6.730 9.444
253 H3* C 24 H3* C 24 -15.102 -4.207 8.083
254 H2* C 24 H2* C 24 -13.175 -5.474 7.411
255 2HO* C 24 2HO* C 24 -12.863 -7.594 8.209
256 H1* C 24 H1* C 24 -14.688 -7.693 6.712
257 1H4 C 24 1H4 C 24 -13.844 -4.369 1.318
258 2H4 C 24 2H4 C 24 -15.188 -3.329 1.731
259 H5 C 24 H5 C 24 -16.380 -3.471 3.866
260 H6 C 24 H6 C 24 -16.493 -4.630 5.982
261 1H5* G 25 1H5* G 25 -11.952 -5.876 10.236
262 2H5* G 25 2H5* G 25 -10.825 -4.672 10.910
263 H4* G 25 H4* G 25 -9.749 -6.378 9.421
264 H3* G 25 H3* G 25 -9.649 -3.489 8.527
265 H2* G 25 H2* G 25 -8.220 -4.185 6.730
266 2HO* G 25 2HO* G 25 -7.517 -6.367 6.617
267 H1* G 25 H1* G 25 -9.796 -6.314 6.055
268 H8 G 25 H8 G 25 -12.313 -3.786 7.133
269 H1 G 25 H1 G 25 -9.657 -2.269 1.509
270 1H2 G 25 1H2 G 25 -7.869 -3.520 1.153
271 2H2 G 25 2H2 G 25 -7.337 -4.736 2.293
272 1H5* U 26 1H5* U 26 -5.929 -4.536 7.948
273 2H5* U 26 2H5* U 26 -4.752 -3.336 8.543
274 H4* U 26 H4* U 26 -4.630 -3.857 6.067
275 H3* U 26 H3* U 26 -5.207 -1.014 6.930
276 H2* U 26 H2* U 26 -5.069 -0.363 4.645
277 2HO* U 26 2HO* U 26 -4.242 -1.795 3.071
278 H1* U 26 H1* U 26 -6.327 -2.685 3.691
279 H3 U 26 H3 U 26 -8.783 1.131 2.776
280 H5 U 26 H5 U 26 -10.142 -0.304 6.488
281 H6 U 26 H6 U 26 -8.264 -1.836 6.507
282 1H5* G 27 1H5* G 27 -1.868 -1.391 4.259
283 2H5* G 27 2H5* G 27 -0.536 -0.274 4.647
284 H4* G 27 H4* G 27 -1.571 -0.390 2.209
285 H3* G 27 H3* G 27 0.017 1.506 3.396
286 H2* G 27 H2* G 27 -1.809 2.760 4.286
287 2HO* G 27 2HO* G 27 -0.597 4.228 3.040
288 H1* G 27 H1* G 27 -3.212 2.424 1.620
289 H8 G 27 H8 G 27 -4.288 1.699 5.255
290 H1 G 27 H1 G 27 -7.553 6.382 2.369
291 1H2 G 27 1H2 G 27 -6.691 6.817 0.379
292 2H2 G 27 2H2 G 27 -5.302 5.949 -0.236
293 1H5* G 28 1H5* G 28 -0.293 5.163 -0.288
294 2H5* G 28 2H5* G 28 0.776 3.998 -1.107
295 H4* G 28 H4* G 28 1.584 6.411 -0.999
296 H3* G 28 H3* G 28 3.244 4.089 -0.078
297 H2* G 28 H2* G 28 4.931 5.462 0.844
298 2HO* G 28 2HO* G 28 3.630 7.581 -0.561
299 H1* G 28 H1* G 28 3.349 7.292 2.004
300 H8 G 28 H8 G 28 1.111 4.701 2.876
301 H1 G 28 H1 G 28 6.775 3.546 5.558
302 1H2 G 28 1H2 G 28 8.325 4.779 4.593
303 2H2 G 28 2H2 G 28 7.961 5.887 3.295
304 1H5* U 29 1H5* U 29 6.141 6.394 -1.946
305 2H5* U 29 2H5* U 29 7.115 5.428 -3.088
306 H4* U 29 H4* U 29 8.424 6.630 -1.276
307 H3* U 29 H3* U 29 8.594 3.613 -1.503
308 H2* U 29 H2* U 29 10.246 3.625 0.258
309 2HO* U 29 2HO* U 29 11.010 5.575 1.100
310 H1* U 29 H1* U 29 8.693 5.100 1.910
311 H3 U 29 H3 U 29 8.538 0.469 2.504
312 H5 U 29 H5 U 29 4.892 1.783 0.879
313 H6 U 29 H6 U 29 5.935 3.905 0.420
314 1H5* C 30 1H5* C 30 13.083 4.260 -2.233
315 2H5* C 30 2H5* C 30 13.352 2.953 -3.419
316 H4* C 30 H4* C 30 14.657 2.887 -1.179
317 H3* C 30 H3* C 30 13.041 0.480 -2.068
318 H2* C 30 H2* C 30 14.079 -0.695 -0.257
319 2HO* C 30 2HO* C 30 15.749 0.344 0.956
320 H1* C 30 H1* C 30 13.803 1.463 1.480
321 1H4 C 30 1H4 C 30 8.935 -2.445 2.718
322 2H4 C 30 2H4 C 30 7.995 -1.721 1.429
323 H5 C 30 H5 C 30 8.919 -0.037 -0.114
324 H6 C 30 H6 C 30 10.909 1.237 -0.663
325 1H5* C 31 1H5* C 31 17.287 -0.691 -1.380
326 2H5* C 31 2H5* C 31 17.591 -2.165 -2.339
327 H4* C 31 H4* C 31 18.029 -2.369 0.148
328 H3* C 31 H3* C 31 15.888 -4.178 -1.003
329 H2* C 31 H2* C 31 15.974 -5.326 1.115
330 2HO* C 31 2HO* C 31 18.150 -3.580 1.760
331 H1* C 31 H1* C 31 16.019 -2.933 2.539
332 1H4 C 31 1H4 C 31 9.900 -4.698 2.344
333 2H4 C 31 2H4 C 31 9.738 -4.064 0.722
334 H5 C 31 H5 C 31 11.636 -3.157 -0.554
335 H6 C 31 H6 C 31 14.012 -2.715 -0.485
336 1H5* U 32 1H5* U 32 18.571 -6.635 0.902
337 2H5* U 32 2H5* U 32 18.929 -8.085 -0.067
338 H4* U 32 H4* U 32 18.259 -8.707 2.192
339 H3* U 32 H3* U 32 16.118 -9.329 0.152
340 H2* U 32 H2* U 32 14.979 -10.491 1.907
341 2HO* U 32 2HO* U 32 16.000 -10.779 3.940
342 H1* U 32 H1* U 32 15.468 -8.506 3.761
343 H3 U 32 H3 U 32 11.019 -8.421 2.749
344 H5 U 32 H5 U 32 12.889 -6.270 -0.351
345 H6 U 32 H6 U 32 15.038 -6.993 0.538
346 1H5* C 33 1H5* C 33 16.865 -12.798 2.372
347 2H5* C 33 2H5* C 33 16.916 -14.237 1.321
348 H4* C 33 H4* C 33 15.366 -14.548 3.208
349 H3* C 33 H3* C 33 13.992 -14.269 0.521
350 H2* C 33 H2* C 33 11.962 -14.858 1.633
351 2HO* C 33 2HO* C 33 11.984 -15.536 3.807
352 H1* C 33 H1* C 33 12.450 -13.219 3.793
353 1H4 C 33 1H4 C 33 8.905 -9.838 -0.312
354 2H4 C 33 2H4 C 33 10.354 -9.292 -1.128
355 H5 C 33 H5 C 33 12.601 -10.129 -0.567
356 H6 C 33 H6 C 33 13.828 -11.634 0.869
357 1H5* C 34 1H5* C 34 12.508 -17.740 2.558
358 2H5* C 34 2H5* C 34 12.316 -19.047 1.368
359 H4* C 34 H4* C 34 10.283 -18.540 2.788
360 H3* C 34 H3* C 34 10.067 -18.304 -0.222
361 H2* C 34 H2* C 34 7.727 -17.933 0.042
362 2HO* C 34 2HO* C 34 6.766 -18.182 2.142
363 H1* C 34 H1* C 34 8.030 -16.291 2.276
364 1H4 C 34 1H4 C 34 7.412 -12.497 -2.844
365 2H4 C 34 2H4 C 34 9.157 -12.402 -2.963
366 H5 C 34 H5 C 34 10.671 -13.753 -1.562
367 H6 C 34 H6 C 34 10.761 -15.418 0.187
Start of MODEL 16
1 1H5* G 1 1H5* G 1 1.347 -12.312 1.492
2 2H5* G 1 2H5* G 1 2.750 -12.183 0.432
3 H4* G 1 H4* G 1 2.097 -14.567 2.179
4 H3* G 1 H3* G 1 4.105 -12.331 2.545
5 H2* G 1 H2* G 1 5.529 -13.897 3.653
6 2HO* G 1 2HO* G 1 4.800 -15.934 4.237
7 H1* G 1 H1* G 1 5.149 -15.866 1.798
8 H8 G 1 H8 G 1 5.179 -12.647 -0.130
9 H1 G 1 H1 G 1 11.029 -14.448 1.716
10 1H2 G 1 1H2 G 1 10.895 -16.089 3.190
11 2H2 G 1 2H2 G 1 9.361 -16.753 3.710
12 1H5* G 2 1H5* G 2 3.865 -14.201 6.409
13 2H5* G 2 2H5* G 2 4.078 -12.951 7.665
14 H4* G 2 H4* G 2 5.755 -14.882 7.659
15 H3* G 2 H3* G 2 6.765 -12.036 7.429
16 H2* G 2 H2* G 2 8.980 -12.908 7.618
17 2HO* G 2 2HO* G 2 9.302 -15.120 8.158
18 H1* G 2 H1* G 2 8.454 -15.112 5.990
19 H8 G 2 H8 G 2 6.835 -12.430 4.065
20 H1 G 2 H1 G 2 13.195 -11.756 4.005
21 1H2 G 2 1H2 G 2 14.118 -13.038 5.552
22 2H2 G 2 2H2 G 2 13.166 -14.063 6.602
23 1H5* A 3 1H5* A 3 8.882 -13.623 11.045
24 2H5* A 3 2H5* A 3 8.579 -12.352 12.260
25 H4* A 3 H4* A 3 10.941 -12.897 12.247
26 H3* A 3 H3* A 3 10.379 -10.254 10.880
27 H2* A 3 H2* A 3 12.768 -9.926 10.775
28 2HO* A 3 2HO* A 3 14.148 -11.509 11.727
29 H1* A 3 H1* A 3 13.213 -12.445 9.801
30 H8 A 3 H8 A 3 9.890 -11.422 8.372
31 1H6 A 3 1H6 A 3 13.022 -8.166 4.148
32 2H6 A 3 2H6 A 3 11.453 -8.787 4.611
33 H2 A 3 H2 A 3 15.889 -9.504 7.331
34 1H5* G 4 1H5* G 4 13.188 -9.263 13.807
35 2H5* G 4 2H5* G 4 12.764 -7.745 14.638
36 H4* G 4 H4* G 4 15.051 -7.673 13.738
37 H3* G 4 H3* G 4 13.104 -5.874 12.274
38 H2* G 4 H2* G 4 14.993 -4.995 11.073
39 2HO* G 4 2HO* G 4 16.533 -5.031 12.802
40 H1* G 4 H1* G 4 15.997 -7.483 10.533
41 H8 G 4 H8 G 4 12.283 -7.944 10.512
42 H1 G 4 H1 G 4 14.431 -4.963 5.287
43 1H2 G 4 1H2 G 4 16.533 -4.344 5.570
44 2H2 G 4 2H2 G 4 17.410 -4.679 7.044
45 1H5* G 5 1H5* G 5 16.135 -2.828 13.378
46 2H5* G 5 2H5* G 5 15.126 -1.489 13.986
47 H4* G 5 H4* G 5 16.710 -0.841 12.149
48 H3* G 5 H3* G 5 13.748 -0.578 11.565
49 H2* G 5 H2* G 5 14.352 0.507 9.508
50 2HO* G 5 2HO* G 5 16.571 0.948 9.077
51 H1* G 5 H1* G 5 16.270 -1.360 8.892
52 H8 G 5 H8 G 5 13.590 -3.370 10.559
53 H1 G 5 H1 G 5 11.932 -1.536 4.659
54 1H2 G 5 1H2 G 5 13.348 -0.013 3.899
55 2H2 G 5 2H2 G 5 14.696 0.559 4.855
56 1H5* A 6 1H5* A 6 15.701 3.417 10.861
57 2H5* A 6 2H5* A 6 14.437 4.651 11.117
58 H4* A 6 H4* A 6 15.664 4.503 8.806
59 H3* A 6 H3* A 6 12.647 4.650 9.033
60 H2* A 6 H2* A 6 12.580 4.822 6.651
61 2HO* A 6 2HO* A 6 14.499 5.129 5.457
62 H1* A 6 H1* A 6 14.566 2.927 6.266
63 H8 A 6 H8 A 6 12.352 1.531 8.948
64 1H6 A 6 1H6 A 6 8.406 -0.114 4.488
65 2H6 A 6 2H6 A 6 8.819 -0.286 6.177
66 H2 A 6 H2 A 6 11.490 2.633 2.708
67 1H5* C 7 1H5* C 7 13.942 7.545 6.202
68 2H5* C 7 2H5* C 7 12.866 8.966 6.232
69 H4* C 7 H4* C 7 13.072 7.736 4.007
70 H3* C 7 H3* C 7 10.344 8.042 5.263
71 H2* C 7 H2* C 7 9.414 7.145 3.241
72 2HO* C 7 2HO* C 7 10.726 6.838 1.412
73 H1* C 7 H1* C 7 11.368 5.188 3.021
74 1H4 C 7 1H4 C 7 6.366 2.499 5.962
75 2H4 C 7 2H4 C 7 7.069 2.912 7.511
76 H5 C 7 H5 C 7 9.087 4.301 7.734
77 H6 C 7 H6 C 7 10.769 5.527 6.502
78 1H5* A 8 1H5* A 8 8.309 11.101 1.153
79 2H5* A 8 2H5* A 8 7.312 10.557 2.529
80 H4* A 8 H4* A 8 7.626 9.404 -0.179
81 H3* A 8 H3* A 8 5.483 9.422 1.949
82 H2* A 8 H2* A 8 4.504 7.442 1.003
83 2HO* A 8 2HO* A 8 5.386 6.544 -0.915
84 H1* A 8 H1* A 8 6.787 6.076 0.893
85 H8 A 8 H8 A 8 7.797 8.105 3.742
86 1H6 A 8 1H6 A 8 3.805 5.000 7.318
87 2H6 A 8 2H6 A 8 5.171 6.091 7.310
88 H2 A 8 H2 A 8 2.844 4.130 3.026
89 1H5* U 9 1H5* U 9 3.658 8.278 -0.820
90 2H5* U 9 2H5* U 9 2.465 9.301 -1.649
91 H4* U 9 H4* U 9 1.577 7.088 -1.431
92 H3* U 9 H3* U 9 0.292 9.270 0.037
93 H2* U 9 H2* U 9 -0.520 8.046 1.793
94 2HO* U 9 2HO* U 9 -1.526 6.013 1.477
95 H1* U 9 H1* U 9 0.752 5.528 1.433
96 H3 U 9 H3 U 9 0.691 6.401 5.925
97 H5 U 9 H5 U 9 3.700 8.880 4.343
98 H6 U 9 H6 U 9 2.984 8.234 2.136
99 1H5* U 10 1H5* U 10 -1.865 9.208 0.129
100 2H5* U 10 2H5* U 10 -3.539 9.705 -0.201
101 H4* U 10 H4* U 10 -2.706 12.057 -0.423
102 H3* U 10 H3* U 10 -0.140 11.032 -0.426
103 H2* U 10 H2* U 10 -0.015 10.554 1.837
104 2HO* U 10 2HO* U 10 0.461 13.341 1.910
105 H1* U 10 H1* U 10 -1.707 12.954 2.495
106 H3 U 10 H3 U 10 -2.985 11.567 6.716
107 H5 U 10 H5 U 10 -0.491 8.484 5.272
108 H6 U 10 H6 U 10 -0.462 9.619 3.144
109 1H5* C 11 1H5* C 11 -3.645 15.480 1.630
110 2H5* C 11 2H5* C 11 -3.217 14.111 2.683
111 H4* C 11 H4* C 11 -5.668 14.607 1.092
112 H3* C 11 H3* C 11 -5.040 13.639 3.798
113 H2* C 11 H2* C 11 -5.528 11.422 3.296
114 2HO* C 11 2HO* C 11 -7.570 12.184 4.206
115 H1* C 11 H1* C 11 -7.084 12.283 0.851
116 1H4 C 11 1H4 C 11 -5.957 6.387 -1.299
117 2H4 C 11 2H4 C 11 -5.012 6.001 0.120
118 H5 C 11 H5 C 11 -4.516 7.645 1.872
119 H6 C 11 H6 C 11 -4.817 9.936 2.556
120 1H5* C 12 1H5* C 12 -9.343 13.173 3.443
121 2H5* C 12 2H5* C 12 -9.977 14.716 4.092
122 H4* C 12 H4* C 12 -11.534 13.000 4.591
123 H3* C 12 H3* C 12 -10.518 14.497 6.711
124 H2* C 12 H2* C 12 -9.041 12.758 7.445
125 2HO* C 12 2HO* C 12 -10.303 11.489 9.088
126 H1* C 12 H1* C 12 -11.254 10.763 6.817
127 1H4 C 12 1H4 C 12 -6.534 6.776 8.494
128 2H4 C 12 2H4 C 12 -5.665 7.215 7.042
129 H5 C 12 H5 C 12 -6.420 8.997 5.526
130 H6 C 12 H6 C 12 -8.129 10.649 5.152
131 1H5* U 13 1H5* U 13 -15.721 12.145 5.422
132 2H5* U 13 2H5* U 13 -14.382 11.810 6.551
133 H4* U 13 H4* U 13 -13.357 13.171 4.251
134 H3* U 13 H3* U 13 -15.469 11.715 3.253
135 H2* U 13 H2* U 13 -14.719 9.679 4.295
136 2HO* U 13 2HO* U 13 -14.889 9.461 1.915
137 H1* U 13 H1* U 13 -11.961 10.414 3.294
138 H3 U 13 H3 U 13 -9.704 7.077 5.470
139 H5 U 13 H5 U 13 -13.589 7.002 7.113
140 H6 U 13 H6 U 13 -14.111 8.907 5.834
141 1H5* C 14 1H5* C 14 -13.701 9.741 -1.518
142 2H5* C 14 2H5* C 14 -13.498 9.220 0.174
143 H4* C 14 H4* C 14 -11.219 10.135 -1.606
144 H3* C 14 H3* C 14 -12.181 7.330 -0.981
145 H2* C 14 H2* C 14 -9.896 6.597 -1.092
146 2HO* C 14 2HO* C 14 -9.221 9.274 -1.844
147 H1* C 14 H1* C 14 -8.953 8.693 0.413
148 1H4 C 14 1H4 C 14 -10.326 3.994 4.530
149 2H4 C 14 2H4 C 14 -11.912 4.694 4.775
150 H5 C 14 H5 C 14 -12.762 6.594 3.462
151 H6 C 14 H6 C 14 -12.212 8.131 1.686
152 1H5* A 15 1H5* A 15 -9.344 6.738 -3.726
153 2H5* A 15 2H5* A 15 -9.880 5.690 -5.060
154 H4* A 15 H4* A 15 -7.780 4.905 -4.001
155 H3* A 15 H3* A 15 -10.193 3.112 -3.654
156 H2* A 15 H2* A 15 -8.762 1.493 -2.588
157 2HO* A 15 2HO* A 15 -6.641 3.263 -3.388
158 H1* A 15 H1* A 15 -7.523 3.363 -1.007
159 H8 A 15 H8 A 15 -11.168 4.095 -1.774
160 1H6 A 15 1H6 A 15 -12.339 0.881 3.467
161 2H6 A 15 2H6 A 15 -13.075 1.853 2.210
162 H2 A 15 H2 A 15 -7.933 0.672 2.484
163 1H5* C 16 1H5* C 16 -7.369 0.591 -5.617
164 2H5* C 16 2H5* C 16 -8.175 -0.435 -6.837
165 H4* C 16 H4* C 16 -6.885 -1.708 -5.112
166 H3* C 16 H3* C 16 -9.884 -2.135 -5.172
167 H2* C 16 H2* C 16 -9.565 -3.884 -3.568
168 2HO* C 16 2HO* C 16 -7.420 -4.514 -2.988
169 H1* C 16 H1* C 16 -7.747 -2.414 -2.079
170 1H4 C 16 1H4 C 16 -13.481 -1.605 0.631
171 2H4 C 16 2H4 C 16 -13.687 -0.126 -0.285
172 H5 C 16 H5 C 16 -12.115 0.590 -2.029
173 H6 C 16 H6 C 16 -10.068 0.023 -3.185
174 1H5* G 17 1H5* G 17 -8.046 -5.981 -5.865
175 2H5* G 17 2H5* G 17 -8.938 -6.897 -7.106
176 H4* G 17 H4* G 17 -8.617 -8.262 -5.115
177 H3* G 17 H3* G 17 -11.473 -7.323 -5.475
178 H2* G 17 H2* G 17 -12.082 -8.701 -3.600
179 2HO* G 17 2HO* G 17 -10.462 -10.033 -2.621
180 H1* G 17 H1* G 17 -9.989 -7.830 -2.061
181 H8 G 17 H8 G 17 -11.095 -4.948 -4.260
182 H1 G 17 H1 G 17 -14.804 -5.801 0.878
183 1H2 G 17 1H2 G 17 -14.313 -7.720 1.868
184 2H2 G 17 2H2 G 17 -13.061 -8.782 1.265
185 1H5* G 18 1H5* G 18 -11.765 -11.619 -5.317
186 2H5* G 18 2H5* G 18 -13.003 -12.192 -6.468
187 H4* G 18 H4* G 18 -13.377 -12.947 -4.113
188 H3* G 18 H3* G 18 -15.458 -11.105 -5.314
189 H2* G 18 H2* G 18 -16.782 -11.434 -3.346
190 2HO* G 18 2HO* G 18 -16.371 -13.699 -3.078
191 H1* G 18 H1* G 18 -14.609 -11.222 -1.629
192 H8 G 18 H8 G 18 -14.114 -8.655 -4.343
193 H1 G 18 H1 G 18 -18.456 -6.872 0.004
194 1H2 G 18 1H2 G 18 -18.977 -8.574 1.315
195 2H2 G 18 2H2 G 18 -18.259 -10.157 1.115
196 1H5* G 19 1H5* G 19 -19.372 -15.454 -6.214
197 2H5* G 19 2H5* G 19 -19.424 -13.807 -6.899
198 H4* G 19 H4* G 19 -20.428 -14.822 -4.260
199 H3* G 19 H3* G 19 -21.454 -12.853 -6.319
200 H2* G 19 H2* G 19 -22.866 -11.924 -4.610
201 2HO* G 19 2HO* G 19 -23.436 -13.906 -3.555
202 H1* G 19 H1* G 19 -20.855 -11.891 -2.727
203 H8 G 19 H8 G 19 -20.168 -11.141 -6.495
204 H1 G 19 H1 G 19 -20.814 -5.945 -2.728
205 1H2 G 19 1H2 G 19 -21.308 -6.570 -0.630
206 2H2 G 19 2H2 G 19 -21.479 -8.258 -0.184
207 1H5* U 20 1H5* U 20 -23.116 -12.185 -8.699
208 2H5* U 20 2H5* U 20 -23.145 -12.168 -6.923
209 H4* U 20 H4* U 20 -25.269 -11.453 -8.878
210 H3* U 20 H3* U 20 -24.300 -10.462 -6.214
211 H2* U 20 H2* U 20 -26.437 -9.798 -5.503
212 2HO* U 20 2HO* U 20 -27.022 -8.765 -7.506
213 H1* U 20 H1* U 20 -27.875 -11.878 -6.597
214 H3 U 20 H3 U 20 -27.164 -11.745 -1.855
215 H5 U 20 H5 U 20 -25.193 -15.056 -3.541
216 H6 U 20 H6 U 20 -25.560 -14.040 -5.761
217 1H5* G 21 1H5* G 21 -24.002 -6.459 -4.668
218 2H5* G 21 2H5* G 21 -23.933 -8.204 -4.303
219 H4* G 21 H4* G 21 -26.490 -6.619 -4.079
220 H3* G 21 H3* G 21 -24.309 -6.910 -2.024
221 H2* G 21 H2* G 21 -25.937 -7.225 -0.308
222 2HO* G 21 2HO* G 21 -28.149 -6.923 -0.737
223 H1* G 21 H1* G 21 -27.460 -8.965 -1.687
224 H8 G 21 H8 G 21 -23.898 -9.575 -2.791
225 H1 G 21 H1 G 21 -25.317 -12.321 2.802
226 1H2 G 21 1H2 G 21 -27.284 -11.615 3.527
227 2H2 G 21 2H2 G 21 -28.244 -10.456 2.639
228 1H5* A 22 1H5* A 22 -26.886 -4.287 -0.611
229 2H5* A 22 2H5* A 22 -26.382 -2.837 0.298
230 H4* A 22 H4* A 22 -27.768 -4.173 1.740
231 H3* A 22 H3* A 22 -24.835 -4.454 2.409
232 H2* A 22 H2* A 22 -25.449 -5.812 4.294
233 2HO* A 22 2HO* A 22 -28.134 -5.134 3.556
234 H1* A 22 H1* A 22 -27.118 -7.375 2.849
235 H8 A 22 H8 A 22 -24.404 -6.315 0.456
236 1H6 A 22 1H6 A 22 -20.941 -10.863 2.764
237 2H6 A 22 2H6 A 22 -21.084 -9.668 1.495
238 H2 A 22 H2 A 22 -24.542 -10.401 5.361
239 1H5* C 23 1H5* C 23 -25.150 -3.946 5.305
240 2H5* C 23 2H5* C 23 -23.930 -3.173 6.343
241 H4* C 23 H4* C 23 -23.767 -5.713 5.968
242 H3* C 23 H3* C 23 -21.407 -3.915 5.393
243 H2* C 23 H2* C 23 -20.111 -5.900 5.026
244 2HO* C 23 2HO* C 23 -21.030 -7.958 5.462
245 H1* C 23 H1* C 23 -22.094 -7.141 3.547
246 1H4 C 23 1H4 C 23 -18.322 -4.228 -0.695
247 2H4 C 23 2H4 C 23 -19.270 -2.766 -0.546
248 H5 C 23 H5 C 23 -21.079 -2.516 1.097
249 H6 C 23 H6 C 23 -22.302 -3.620 2.866
250 1H5* C 24 1H5* C 24 -20.241 -6.934 8.114
251 2H5* C 24 2H5* C 24 -19.005 -6.380 9.276
252 H4* C 24 H4* C 24 -18.331 -8.397 7.962
253 H3* C 24 H3* C 24 -16.715 -5.880 7.492
254 H2* C 24 H2* C 24 -15.209 -7.224 6.199
255 2HO* C 24 2HO* C 24 -15.438 -9.493 6.158
256 H1* C 24 H1* C 24 -17.266 -8.600 4.933
257 1H4 C 24 1H4 C 24 -15.683 -3.866 0.950
258 2H4 C 24 2H4 C 24 -16.666 -2.744 1.862
259 H5 C 24 H5 C 24 -17.797 -3.349 3.949
260 H6 C 24 H6 C 24 -18.182 -5.132 5.529
261 1H5* G 25 1H5* G 25 -13.947 -8.778 8.471
262 2H5* G 25 2H5* G 25 -12.868 -8.213 9.772
263 H4* G 25 H4* G 25 -11.528 -9.123 7.983
264 H3* G 25 H3* G 25 -11.476 -6.096 8.012
265 H2* G 25 H2* G 25 -9.835 -6.188 6.274
266 2HO* G 25 2HO* G 25 -9.019 -8.254 5.603
267 H1* G 25 H1* G 25 -11.175 -8.119 4.842
268 H8 G 25 H8 G 25 -13.824 -5.877 6.311
269 H1 G 25 H1 G 25 -10.873 -3.267 1.261
270 1H2 G 25 1H2 G 25 -9.076 -4.450 0.740
271 2H2 G 25 2H2 G 25 -8.608 -5.881 1.630
272 1H5* U 26 1H5* U 26 -7.503 -7.128 7.879
273 2H5* U 26 2H5* U 26 -6.488 -6.007 8.825
274 H4* U 26 H4* U 26 -5.996 -6.154 6.328
275 H3* U 26 H3* U 26 -6.724 -3.476 7.537
276 H2* U 26 H2* U 26 -6.244 -2.480 5.417
277 2HO* U 26 2HO* U 26 -5.185 -3.659 3.791
278 H1* U 26 H1* U 26 -7.387 -4.575 3.954
279 H3 U 26 H3 U 26 -9.831 -0.735 3.298
280 H5 U 26 H5 U 26 -11.381 -2.490 6.800
281 H6 U 26 H6 U 26 -9.524 -4.044 6.765
282 1H5* G 27 1H5* G 27 -2.960 -3.763 5.477
283 2H5* G 27 2H5* G 27 -1.685 -2.650 6.030
284 H4* G 27 H4* G 27 -2.499 -2.786 3.484
285 H3* G 27 H3* G 27 -0.860 -0.989 4.785
286 H2* G 27 H2* G 27 -2.616 0.462 5.452
287 2HO* G 27 2HO* G 27 -1.179 1.723 4.181
288 H1* G 27 H1* G 27 -3.895 0.148 2.722
289 H8 G 27 H8 G 27 -5.178 -0.472 6.301
290 H1 G 27 H1 G 27 -8.040 4.364 3.245
291 1H2 G 27 1H2 G 27 -7.058 4.732 1.299
292 2H2 G 27 2H2 G 27 -5.699 3.775 0.747
293 1H5* G 28 1H5* G 28 -1.204 -0.543 -0.237
294 2H5* G 28 2H5* G 28 -0.637 -2.042 -1.009
295 H4* G 28 H4* G 28 0.339 -0.288 -2.242
296 H3* G 28 H3* G 28 2.301 -1.400 -0.237
297 H2* G 28 H2* G 28 3.951 0.142 -0.999
298 2HO* G 28 2HO* G 28 3.457 0.084 -3.252
299 H1* G 28 H1* G 28 2.328 2.284 -0.960
300 H8 G 28 H8 G 28 1.002 0.193 1.861
301 H1 G 28 H1 G 28 6.497 3.119 3.329
302 1H2 G 28 1H2 G 28 7.414 3.991 1.517
303 2H2 G 28 2H2 G 28 6.674 3.844 -0.063
304 1H5* U 29 1H5* U 29 4.455 -1.848 -4.237
305 2H5* U 29 2H5* U 29 5.646 -3.155 -3.982
306 H4* U 29 H4* U 29 6.488 -0.772 -4.607
307 H3* U 29 H3* U 29 7.609 -2.277 -2.230
308 H2* U 29 H2* U 29 9.191 -0.513 -2.001
309 2HO* U 29 2HO* U 29 9.384 1.090 -3.631
310 H1* U 29 H1* U 29 7.342 1.481 -2.624
311 H3 U 29 H3 U 29 8.893 1.654 1.820
312 H5 U 29 H5 U 29 5.459 -0.794 1.804
313 H6 U 29 H6 U 29 5.526 -0.761 -0.600
314 1H5* C 30 1H5* C 30 10.933 -0.956 -4.485
315 2H5* C 30 2H5* C 30 12.306 -2.076 -4.281
316 H4* C 30 H4* C 30 12.546 0.385 -3.455
317 H3* C 30 H3* C 30 13.252 -2.008 -1.752
318 H2* C 30 H2* C 30 13.966 -0.540 -0.019
319 2HO* C 30 2HO* C 30 13.704 1.541 -1.967
320 H1* C 30 H1* C 30 11.895 1.277 -0.367
321 1H4 C 30 1H4 C 30 10.312 -2.741 4.408
322 2H4 C 30 2H4 C 30 9.202 -3.513 3.301
323 H5 C 30 H5 C 30 9.104 -2.976 0.917
324 H6 C 30 H6 C 30 10.061 -1.614 -0.826
325 1H5* C 31 1H5* C 31 16.554 0.314 -1.014
326 2H5* C 31 2H5* C 31 17.982 -0.574 -1.611
327 H4* C 31 H4* C 31 18.495 0.105 0.613
328 H3* C 31 H3* C 31 17.606 -2.787 0.576
329 H2* C 31 H2* C 31 18.098 -2.913 2.916
330 2HO* C 31 2HO* C 31 19.164 -0.271 2.594
331 H1* C 31 H1* C 31 16.869 -0.537 3.503
332 1H4 C 31 1H4 C 31 12.333 -4.984 4.091
333 2H4 C 31 2H4 C 31 11.923 -4.799 2.400
334 H5 C 31 H5 C 31 13.215 -3.389 0.865
335 H6 C 31 H6 C 31 15.117 -1.910 0.698
336 1H5* U 32 1H5* U 32 20.611 -3.513 3.046
337 2H5* U 32 2H5* U 32 21.826 -4.395 2.085
338 H4* U 32 H4* U 32 21.606 -5.676 4.030
339 H3* U 32 H3* U 32 19.730 -6.851 1.971
340 H2* U 32 H2* U 32 19.280 -8.603 3.516
341 2HO* U 32 2HO* U 32 21.279 -7.396 5.170
342 H1* U 32 H1* U 32 18.918 -6.957 5.610
343 H3 U 32 H3 U 32 14.886 -8.470 4.312
344 H5 U 32 H5 U 32 15.581 -5.140 1.868
345 H6 U 32 H6 U 32 17.884 -5.076 2.721
346 1H5* C 33 1H5* C 33 22.038 -10.009 3.713
347 2H5* C 33 2H5* C 33 22.231 -11.349 2.556
348 H4* C 33 H4* C 33 21.104 -11.945 4.747
349 H3* C 33 H3* C 33 19.511 -12.356 2.203
350 H2* C 33 H2* C 33 17.896 -13.480 3.558
351 2HO* C 33 2HO* C 33 19.783 -13.184 5.688
352 H1* C 33 H1* C 33 17.982 -11.582 5.554
353 1H4 C 33 1H4 C 33 13.170 -9.939 1.688
354 2H4 C 33 2H4 C 33 14.275 -9.040 0.670
355 H5 C 33 H5 C 33 16.716 -9.043 1.016
356 H6 C 33 H6 C 33 18.498 -9.925 2.392
357 1H5* C 34 1H5* C 34 19.485 -15.947 4.611
358 2H5* C 34 2H5* C 34 19.501 -17.357 3.527
359 H4* C 34 H4* C 34 17.625 -17.301 5.222
360 H3* C 34 H3* C 34 16.906 -17.355 2.280
361 H2* C 34 H2* C 34 14.622 -17.626 2.928
362 2HO* C 34 2HO* C 34 14.113 -17.966 5.167
363 H1* C 34 H1* C 34 14.793 -15.789 5.023
364 1H4 C 34 1H4 C 34 12.367 -12.661 0.001
365 2H4 C 34 2H4 C 34 13.983 -12.226 -0.511
366 H5 C 34 H5 C 34 16.011 -13.097 0.580
367 H6 C 34 H6 C 34 16.826 -14.524 2.350
Start of MODEL 17
1 1H5* G 1 1H5* G 1 -2.115 -9.883 2.385
2 2H5* G 1 2H5* G 1 -0.867 -10.076 1.153
3 H4* G 1 H4* G 1 -1.894 -12.277 2.959
4 H3* G 1 H3* G 1 0.650 -10.641 3.077
5 H2* G 1 H2* G 1 1.755 -12.561 3.974
6 2HO* G 1 2HO* G 1 0.610 -14.373 4.627
7 H1* G 1 H1* G 1 0.664 -14.292 2.169
8 H8 G 1 H8 G 1 1.240 -11.113 0.267
9 H1 G 1 H1 G 1 6.658 -14.337 1.327
10 1H2 G 1 1H2 G 1 6.316 -15.946 2.800
11 2H2 G 1 2H2 G 1 4.747 -16.237 3.517
12 1H5* G 2 1H5* G 2 0.440 -12.469 7.013
13 2H5* G 2 2H5* G 2 1.123 -11.309 8.182
14 H4* G 2 H4* G 2 2.254 -13.595 8.034
15 H3* G 2 H3* G 2 3.900 -11.095 7.560
16 H2* G 2 H2* G 2 5.833 -12.500 7.499
17 2HO* G 2 2HO* G 2 5.680 -14.702 8.088
18 H1* G 2 H1* G 2 4.572 -14.484 6.012
19 H8 G 2 H8 G 2 3.384 -11.458 4.296
20 H1 G 2 H1 G 2 9.632 -12.352 3.299
21 1H2 G 2 1H2 G 2 10.440 -13.829 4.726
22 2H2 G 2 2H2 G 2 9.436 -14.611 5.927
23 1H5* A 3 1H5* A 3 6.064 -13.128 10.927
24 2H5* A 3 2H5* A 3 6.295 -11.797 12.093
25 H4* A 3 H4* A 3 8.405 -12.965 11.708
26 H3* A 3 H3* A 3 8.311 -10.226 10.416
27 H2* A 3 H2* A 3 10.653 -10.506 9.908
28 2HO* A 3 2HO* A 3 11.729 -12.413 10.639
29 H1* A 3 H1* A 3 10.282 -13.028 8.913
30 H8 A 3 H8 A 3 7.131 -11.199 8.020
31 1H6 A 3 1H6 A 3 10.245 -8.650 3.326
32 2H6 A 3 2H6 A 3 8.666 -8.896 4.038
33 H2 A 3 H2 A 3 13.176 -10.718 6.024
34 1H5* G 4 1H5* G 4 11.745 -10.114 12.759
35 2H5* G 4 2H5* G 4 11.883 -8.580 13.654
36 H4* G 4 H4* G 4 13.920 -9.064 12.364
37 H3* G 4 H3* G 4 12.300 -6.743 11.283
38 H2* G 4 H2* G 4 14.110 -6.328 9.758
39 2HO* G 4 2HO* G 4 15.870 -6.835 11.166
40 H1* G 4 H1* G 4 14.325 -8.963 9.044
41 H8 G 4 H8 G 4 10.672 -8.480 9.661
42 H1 G 4 H1 G 4 12.605 -5.822 4.182
43 1H2 G 4 1H2 G 4 14.813 -5.753 4.101
44 2H2 G 4 2H2 G 4 15.811 -6.377 5.394
45 1H5* G 5 1H5* G 5 16.199 -4.805 11.866
46 2H5* G 5 2H5* G 5 15.809 -3.233 12.615
47 H4* G 5 H4* G 5 17.191 -3.067 10.527
48 H3* G 5 H3* G 5 14.431 -1.818 10.458
49 H2* G 5 H2* G 5 14.993 -0.916 8.303
50 2HO* G 5 2HO* G 5 17.125 -1.216 7.477
51 H1* G 5 H1* G 5 16.047 -3.284 7.394
52 H8 G 5 H8 G 5 13.205 -4.399 9.546
53 H1 G 5 H1 G 5 11.196 -1.840 4.044
54 1H2 G 5 1H2 G 5 12.868 -0.819 3.012
55 2H2 G 5 2H2 G 5 14.480 -0.761 3.690
56 1H5* A 6 1H5* A 6 17.460 1.282 9.325
57 2H5* A 6 2H5* A 6 16.812 2.860 9.848
58 H4* A 6 H4* A 6 17.443 2.566 7.360
59 H3* A 6 H3* A 6 14.685 3.534 8.150
60 H2* A 6 H2* A 6 14.279 3.927 5.822
61 2HO* A 6 2HO* A 6 15.965 3.707 4.306
62 H1* A 6 H1* A 6 15.390 1.539 5.039
63 H8 A 6 H8 A 6 13.511 0.874 8.248
64 1H6 A 6 1H6 A 6 8.359 0.596 4.846
65 2H6 A 6 2H6 A 6 9.059 0.297 6.420
66 H2 A 6 H2 A 6 11.662 2.165 2.255
67 1H5* C 7 1H5* C 7 16.227 6.175 5.223
68 2H5* C 7 2H5* C 7 15.604 7.827 5.473
69 H4* C 7 H4* C 7 15.068 6.743 3.232
70 H3* C 7 H3* C 7 12.767 7.628 4.979
71 H2* C 7 H2* C 7 11.335 7.183 3.094
72 2HO* C 7 2HO* C 7 13.768 6.667 1.665
73 H1* C 7 H1* C 7 12.554 4.768 2.570
74 1H4 C 7 1H4 C 7 7.624 3.571 6.474
75 2H4 C 7 2H4 C 7 8.698 3.695 7.850
76 H5 C 7 H5 C 7 11.046 4.405 7.656
77 H6 C 7 H6 C 7 12.753 5.124 6.102
78 1H5* A 8 1H5* A 8 11.937 9.410 1.377
79 2H5* A 8 2H5* A 8 11.345 11.077 1.610
80 H4* A 8 H4* A 8 9.748 9.661 0.347
81 H3* A 8 H3* A 8 8.835 10.559 3.091
82 H2* A 8 H2* A 8 6.683 9.593 2.586
83 2HO* A 8 2HO* A 8 6.376 8.606 0.509
84 H1* A 8 H1* A 8 7.742 7.266 1.729
85 H8 A 8 H8 A 8 10.259 7.983 4.275
86 1H6 A 8 1H6 A 8 6.130 6.631 8.674
87 2H6 A 8 2H6 A 8 7.823 6.906 8.332
88 H2 A 8 H2 A 8 3.947 7.130 4.799
89 1H5* U 9 1H5* U 9 5.922 10.963 0.998
90 2H5* U 9 2H5* U 9 5.243 12.576 0.692
91 H4* U 9 H4* U 9 3.476 10.974 1.173
92 H3* U 9 H3* U 9 3.971 13.137 3.182
93 H2* U 9 H2* U 9 2.531 12.202 4.716
94 2HO* U 9 2HO* U 9 0.736 12.061 3.297
95 H1* U 9 H1* U 9 2.780 9.481 4.029
96 H3 U 9 H3 U 9 3.846 10.026 8.474
97 H5 U 9 H5 U 9 7.345 10.858 6.304
98 H6 U 9 H6 U 9 6.029 10.817 4.283
99 1H5* U 10 1H5* U 10 0.494 16.497 2.428
100 2H5* U 10 2H5* U 10 1.532 15.260 3.169
101 H4* U 10 H4* U 10 -0.485 14.054 1.477
102 H3* U 10 H3* U 10 -1.541 16.225 3.197
103 H2* U 10 H2* U 10 -1.810 14.748 5.021
104 2HO* U 10 2HO* U 10 -3.980 14.812 4.244
105 H1* U 10 H1* U 10 -1.728 12.473 3.024
106 H3 U 10 H3 U 10 -2.263 9.549 6.466
107 H5 U 10 H5 U 10 0.988 11.936 7.642
108 H6 U 10 H6 U 10 0.608 13.329 5.690
109 1H5* C 11 1H5* C 11 -5.832 14.795 0.254
110 2H5* C 11 2H5* C 11 -7.019 15.330 1.475
111 H4* C 11 H4* C 11 -7.591 13.096 0.844
112 H3* C 11 H3* C 11 -6.715 13.552 3.588
113 H2* C 11 H2* C 11 -5.131 11.838 3.574
114 2HO* C 11 2HO* C 11 -6.063 9.710 3.727
115 H1* C 11 H1* C 11 -6.507 10.493 1.249
116 1H4 C 11 1H4 C 11 -0.858 7.584 0.793
117 2H4 C 11 2H4 C 11 -0.003 9.050 1.215
118 H5 C 11 H5 C 11 -1.153 11.158 1.754
119 H6 C 11 H6 C 11 -3.317 12.209 1.975
120 1H5* C 12 1H5* C 12 -10.755 10.872 2.636
121 2H5* C 12 2H5* C 12 -11.630 12.246 1.900
122 H4* C 12 H4* C 12 -13.412 11.095 2.704
123 H3* C 12 H3* C 12 -13.047 13.252 4.283
124 H2* C 12 H2* C 12 -11.593 12.194 5.849
125 2HO* C 12 2HO* C 12 -12.901 11.595 7.709
126 H1* C 12 H1* C 12 -13.350 9.741 6.010
127 1H4 C 12 1H4 C 12 -7.960 7.684 8.748
128 2H4 C 12 2H4 C 12 -7.048 8.059 7.305
129 H5 C 12 H5 C 12 -8.039 9.165 5.343
130 H6 C 12 H6 C 12 -10.087 10.081 4.443
131 1H5* U 13 1H5* U 13 -16.692 10.754 1.946
132 2H5* U 13 2H5* U 13 -15.051 10.254 2.428
133 H4* U 13 H4* U 13 -14.559 11.455 0.032
134 H3* U 13 H3* U 13 -17.187 11.454 -0.328
135 H2* U 13 H2* U 13 -17.459 9.239 0.585
136 2HO* U 13 2HO* U 13 -17.422 8.990 -2.245
137 H1* U 13 H1* U 13 -15.377 8.267 -1.372
138 H3 U 13 H3 U 13 -14.883 4.170 0.728
139 H5 U 13 H5 U 13 -16.935 6.611 3.522
140 H6 U 13 H6 U 13 -16.715 8.398 2.021
141 1H5* C 14 1H5* C 14 -12.524 12.288 -0.602
142 2H5* C 14 2H5* C 14 -12.079 12.553 -2.309
143 H4* C 14 H4* C 14 -10.260 11.308 -1.859
144 H3* C 14 H3* C 14 -12.264 9.041 -1.608
145 H2* C 14 H2* C 14 -10.412 7.647 -1.061
146 2HO* C 14 2HO* C 14 -8.282 8.326 -1.442
147 H1* C 14 H1* C 14 -9.090 9.705 0.350
148 1H4 C 14 1H4 C 14 -11.305 6.056 5.026
149 2H4 C 14 2H4 C 14 -12.960 6.265 4.496
150 H5 C 14 H5 C 14 -13.568 7.574 2.491
151 H6 C 14 H6 C 14 -12.664 8.876 0.661
152 1H5* A 15 1H5* A 15 -8.755 8.173 -4.071
153 2H5* A 15 2H5* A 15 -9.163 7.084 -5.419
154 H4* A 15 H4* A 15 -7.159 6.300 -4.271
155 H3* A 15 H3* A 15 -9.590 4.576 -3.755
156 H2* A 15 H2* A 15 -8.176 3.049 -2.545
157 2HO* A 15 2HO* A 15 -5.908 3.367 -2.542
158 H1* A 15 H1* A 15 -6.877 5.042 -1.171
159 H8 A 15 H8 A 15 -10.536 5.770 -1.897
160 1H6 A 15 1H6 A 15 -11.662 2.963 3.562
161 2H6 A 15 2H6 A 15 -12.389 3.876 2.258
162 H2 A 15 H2 A 15 -7.299 2.514 2.519
163 1H5* C 16 1H5* C 16 -6.534 2.134 -5.448
164 2H5* C 16 2H5* C 16 -7.178 0.857 -6.514
165 H4* C 16 H4* C 16 -5.699 0.063 -4.629
166 H3* C 16 H3* C 16 -8.559 -0.918 -4.744
167 H2* C 16 H2* C 16 -8.023 -2.403 -2.942
168 2HO* C 16 2HO* C 16 -5.846 -2.580 -2.221
169 H1* C 16 H1* C 16 -6.590 -0.480 -1.554
170 1H4 C 16 1H4 C 16 -12.542 -0.454 0.791
171 2H4 C 16 2H4 C 16 -12.931 0.884 -0.268
172 H5 C 16 H5 C 16 -11.385 1.718 -1.985
173 H6 C 16 H6 C 16 -9.211 1.404 -2.989
174 1H5* G 17 1H5* G 17 -5.881 -4.180 -4.535
175 2H5* G 17 2H5* G 17 -6.291 -5.427 -5.740
176 H4* G 17 H4* G 17 -5.893 -6.451 -3.569
177 H3* G 17 H3* G 17 -8.813 -6.404 -4.360
178 H2* G 17 H2* G 17 -9.276 -7.746 -2.419
179 2HO* G 17 2HO* G 17 -7.529 -8.503 -1.132
180 H1* G 17 H1* G 17 -7.727 -6.187 -0.772
181 H8 G 17 H8 G 17 -9.270 -3.878 -3.334
182 H1 G 17 H1 G 17 -13.325 -5.521 1.336
183 1H2 G 17 1H2 G 17 -12.479 -7.173 2.541
184 2H2 G 17 2H2 G 17 -10.907 -7.861 2.199
185 1H5* G 18 1H5* G 18 -8.006 -10.423 -3.629
186 2H5* G 18 2H5* G 18 -8.796 -11.499 -4.812
187 H4* G 18 H4* G 18 -9.393 -12.036 -2.465
188 H3* G 18 H3* G 18 -11.655 -10.947 -4.161
189 H2* G 18 H2* G 18 -13.127 -11.480 -2.346
190 2HO* G 18 2HO* G 18 -12.334 -12.666 -0.545
191 H1* G 18 H1* G 18 -11.341 -10.542 -0.420
192 H8 G 18 H8 G 18 -11.226 -8.097 -3.273
193 H1 G 18 H1 G 18 -16.491 -7.472 0.318
194 1H2 G 18 1H2 G 18 -16.682 -9.192 1.696
195 2H2 G 18 2H2 G 18 -15.516 -10.494 1.729
196 1H5* G 19 1H5* G 19 -12.909 -14.463 -2.698
197 2H5* G 19 2H5* G 19 -13.664 -15.577 -3.865
198 H4* G 19 H4* G 19 -14.983 -15.095 -1.741
199 H3* G 19 H3* G 19 -16.247 -14.439 -4.414
200 H2* G 19 H2* G 19 -18.282 -14.022 -3.209
201 2HO* G 19 2HO* G 19 -18.290 -14.418 -0.900
202 H1* G 19 H1* G 19 -16.971 -12.614 -1.205
203 H8 G 19 H8 G 19 -16.016 -12.319 -4.979
204 H1 G 19 H1 G 19 -19.820 -7.680 -2.735
205 1H2 G 19 1H2 G 19 -20.339 -8.069 -0.634
206 2H2 G 19 2H2 G 19 -19.755 -9.472 0.232
207 1H5* U 20 1H5* U 20 -17.695 -15.191 -6.695
208 2H5* U 20 2H5* U 20 -18.301 -15.222 -5.017
209 H4* U 20 H4* U 20 -19.586 -16.293 -7.525
210 H3* U 20 H3* U 20 -20.483 -14.480 -5.282
211 H2* U 20 H2* U 20 -22.737 -15.181 -5.613
212 2HO* U 20 2HO* U 20 -22.672 -15.139 -7.949
213 H1* U 20 H1* U 20 -22.098 -17.847 -6.065
214 H3 U 20 H3 U 20 -23.889 -18.502 -2.021
215 H5 U 20 H5 U 20 -20.790 -15.777 -1.211
216 H6 U 20 H6 U 20 -20.327 -15.695 -3.599
217 1H5* G 21 1H5* G 21 -21.924 -11.024 -5.327
218 2H5* G 21 2H5* G 21 -21.140 -12.432 -4.560
219 H4* G 21 H4* G 21 -24.107 -11.980 -4.314
220 H3* G 21 H3* G 21 -21.942 -10.752 -2.602
221 H2* G 21 H2* G 21 -23.394 -10.994 -0.722
222 2HO* G 21 2HO* G 21 -25.373 -10.426 -1.794
223 H1* G 21 H1* G 21 -24.178 -13.536 -1.399
224 H8 G 21 H8 G 21 -20.506 -12.496 -2.005
225 H1 G 21 H1 G 21 -21.601 -15.471 3.539
226 1H2 G 21 1H2 G 21 -23.770 -15.817 3.808
227 2H2 G 21 2H2 G 21 -24.946 -15.312 2.619
228 1H5* A 22 1H5* A 22 -25.060 -6.435 -0.502
229 2H5* A 22 2H5* A 22 -23.598 -7.357 -0.067
230 H4* A 22 H4* A 22 -26.499 -8.152 0.317
231 H3* A 22 H3* A 22 -24.187 -7.654 2.184
232 H2* A 22 H2* A 22 -24.982 -9.340 3.689
233 2HO* A 22 2HO* A 22 -27.262 -9.479 1.952
234 H1* A 22 H1* A 22 -25.411 -11.175 1.752
235 H8 A 22 H8 A 22 -22.569 -9.347 0.300
236 1H6 A 22 1H6 A 22 -18.786 -12.316 4.135
237 2H6 A 22 2H6 A 22 -18.888 -11.299 2.717
238 H2 A 22 H2 A 22 -22.964 -13.024 5.507
239 1H5* C 23 1H5* C 23 -23.570 -5.605 5.077
240 2H5* C 23 2H5* C 23 -23.583 -6.224 3.413
241 H4* C 23 H4* C 23 -22.882 -8.178 5.518
242 H3* C 23 H3* C 23 -21.075 -5.847 4.849
243 H2* C 23 H2* C 23 -19.199 -7.332 4.970
244 2HO* C 23 2HO* C 23 -21.094 -9.308 5.822
245 H1* C 23 H1* C 23 -20.388 -9.267 3.464
246 1H4 C 23 1H4 C 23 -17.421 -5.403 -0.669
247 2H4 C 23 2H4 C 23 -18.862 -4.418 -0.796
248 H5 C 23 H5 C 23 -20.853 -4.779 0.600
249 H6 C 23 H6 C 23 -21.813 -6.153 2.356
250 1H5* C 24 1H5* C 24 -19.280 -7.951 7.930
251 2H5* C 24 2H5* C 24 -18.446 -6.895 9.099
252 H4* C 24 H4* C 24 -16.984 -8.641 8.033
253 H3* C 24 H3* C 24 -16.283 -5.750 7.467
254 H2* C 24 H2* C 24 -14.267 -6.570 6.456
255 2HO* C 24 2HO* C 24 -13.722 -8.789 6.630
256 H1* C 24 H1* C 24 -15.583 -8.688 5.194
257 1H4 C 24 1H4 C 24 -15.080 -4.066 0.817
258 2H4 C 24 2H4 C 24 -16.491 -3.264 1.470
259 H5 C 24 H5 C 24 -17.639 -4.032 3.503
260 H6 C 24 H6 C 24 -17.636 -5.693 5.254
261 1H5* G 25 1H5* G 25 -12.859 -7.587 8.776
262 2H5* G 25 2H5* G 25 -12.176 -6.707 10.166
263 H4* G 25 H4* G 25 -10.423 -7.238 8.568
264 H3* G 25 H3* G 25 -11.184 -4.309 8.535
265 H2* G 25 H2* G 25 -9.323 -3.952 7.065
266 2HO* G 25 2HO* G 25 -8.687 -6.708 7.534
267 H1* G 25 H1* G 25 -9.902 -6.167 5.519
268 H8 G 25 H8 G 25 -13.216 -4.655 6.474
269 H1 G 25 H1 G 25 -10.243 -1.385 1.835
270 1H2 G 25 1H2 G 25 -8.150 -2.069 1.643
271 2H2 G 25 2H2 G 25 -7.486 -3.339 2.647
272 1H5* U 26 1H5* U 26 -7.104 -4.489 9.054
273 2H5* U 26 2H5* U 26 -6.478 -3.222 10.142
274 H4* U 26 H4* U 26 -5.498 -3.278 7.796
275 H3* U 26 H3* U 26 -6.884 -0.759 8.739
276 H2* U 26 H2* U 26 -6.139 0.293 6.724
277 2HO* U 26 2HO* U 26 -4.564 -0.676 5.418
278 H1* U 26 H1* U 26 -6.555 -2.010 5.156
279 H3 U 26 H3 U 26 -9.316 1.398 3.722
280 H5 U 26 H5 U 26 -11.400 -0.566 6.819
281 H6 U 26 H6 U 26 -9.371 -1.790 7.320
282 1H5* G 27 1H5* G 27 -2.747 -0.415 7.586
283 2H5* G 27 2H5* G 27 -1.834 0.926 8.325
284 H4* G 27 H4* G 27 -2.067 0.600 5.683
285 H3* G 27 H3* G 27 -1.116 2.709 7.210
286 H2* G 27 H2* G 27 -3.160 3.863 7.356
287 2HO* G 27 2HO* G 27 -1.765 5.309 6.278
288 H1* G 27 H1* G 27 -3.820 3.181 4.492
289 H8 G 27 H8 G 27 -5.551 2.572 7.884
290 H1 G 27 H1 G 27 -8.755 6.320 3.816
291 1H2 G 27 1H2 G 27 -7.535 6.699 2.017
292 2H2 G 27 2H2 G 27 -5.939 6.017 1.807
293 1H5* G 28 1H5* G 28 -1.539 3.928 2.034
294 2H5* G 28 2H5* G 28 -1.632 2.413 1.102
295 H4* G 28 H4* G 28 -0.429 3.908 -0.250
296 H3* G 28 H3* G 28 1.398 2.034 1.238
297 H2* G 28 H2* G 28 3.319 3.081 0.316
298 2HO* G 28 2HO* G 28 3.088 4.707 -1.295
299 H1* G 28 H1* G 28 2.510 5.607 0.761
300 H8 G 28 H8 G 28 0.968 3.854 3.688
301 H1 G 28 H1 G 28 7.322 4.445 4.227
302 1H2 G 28 1H2 G 28 8.201 5.064 2.297
303 2H2 G 28 2H2 G 28 7.221 5.334 0.874
304 1H5* U 29 1H5* U 29 2.544 1.723 -2.926
305 2H5* U 29 2H5* U 29 3.021 0.052 -3.337
306 H4* U 29 H4* U 29 4.762 1.805 -3.811
307 H3* U 29 H3* U 29 5.451 -0.330 -1.778
308 H2* U 29 H2* U 29 7.649 0.556 -1.752
309 2HO* U 29 2HO* U 29 8.348 2.022 -3.336
310 H1* U 29 H1* U 29 6.787 3.212 -2.012
311 H3 U 29 H3 U 29 9.037 2.435 2.031
312 H5 U 29 H5 U 29 4.988 1.463 2.702
313 H6 U 29 H6 U 29 4.612 1.678 0.334
314 1H5* C 30 1H5* C 30 8.580 -0.193 -4.716
315 2H5* C 30 2H5* C 30 9.408 -1.770 -4.804
316 H4* C 30 H4* C 30 10.727 0.358 -4.020
317 H3* C 30 H3* C 30 10.815 -2.299 -2.584
318 H2* C 30 H2* C 30 12.386 -1.381 -1.046
319 2HO* C 30 2HO* C 30 13.378 0.627 -1.448
320 H1* C 30 H1* C 30 11.132 1.096 -0.877
321 1H4 C 30 1H4 C 30 9.258 -2.483 4.131
322 2H4 C 30 2H4 C 30 7.735 -2.721 3.311
323 H5 C 30 H5 C 30 7.326 -1.988 1.013
324 H6 C 30 H6 C 30 8.310 -0.910 -0.905
325 1H5* C 31 1H5* C 31 14.781 -1.277 -2.780
326 2H5* C 31 2H5* C 31 15.716 -2.581 -3.559
327 H4* C 31 H4* C 31 16.799 -2.018 -1.483
328 H3* C 31 H3* C 31 15.218 -4.591 -1.274
329 H2* C 31 H2* C 31 16.084 -4.874 0.941
330 2HO* C 31 2HO* C 31 17.686 -3.457 1.737
331 H1* C 31 H1* C 31 15.645 -2.261 1.658
332 1H4 C 31 1H4 C 31 10.328 -5.376 3.317
333 2H4 C 31 2H4 C 31 9.658 -5.095 1.727
334 H5 C 31 H5 C 31 10.940 -4.069 -0.095
335 H6 C 31 H6 C 31 13.084 -3.135 -0.694
336 1H5* U 32 1H5* U 32 18.389 -5.966 0.626
337 2H5* U 32 2H5* U 32 19.165 -7.157 -0.447
338 H4* U 32 H4* U 32 19.022 -8.244 1.624
339 H3* U 32 H3* U 32 16.618 -9.059 -0.013
340 H2* U 32 H2* U 32 16.042 -10.565 1.734
341 2HO* U 32 2HO* U 32 17.456 -10.873 3.504
342 H1* U 32 H1* U 32 16.457 -8.783 3.718
343 H3 U 32 H3 U 32 11.998 -9.299 3.279
344 H5 U 32 H5 U 32 13.006 -6.444 0.377
345 H6 U 32 H6 U 32 15.366 -6.902 0.843
346 1H5* C 33 1H5* C 33 18.452 -12.548 1.646
347 2H5* C 33 2H5* C 33 18.230 -13.950 0.569
348 H4* C 33 H4* C 33 17.341 -14.273 2.897
349 H3* C 33 H3* C 33 15.310 -14.340 0.652
350 H2* C 33 H2* C 33 13.719 -15.064 2.281
351 2HO* C 33 2HO* C 33 15.951 -15.207 4.066
352 H1* C 33 H1* C 33 14.528 -13.221 4.161
353 1H4 C 33 1H4 C 33 9.670 -10.538 1.003
354 2H4 C 33 2H4 C 33 10.771 -9.947 -0.224
355 H5 C 33 H5 C 33 13.165 -10.523 -0.262
356 H6 C 33 H6 C 33 14.895 -11.775 0.867
357 1H5* C 34 1H5* C 34 14.812 -17.803 3.163
358 2H5* C 34 2H5* C 34 14.382 -19.186 2.130
359 H4* C 34 H4* C 34 12.788 -18.720 4.031
360 H3* C 34 H3* C 34 11.721 -18.591 1.201
361 H2* C 34 H2* C 34 9.531 -18.335 2.121
362 2HO* C 34 2HO* C 34 9.239 -18.556 4.419
363 H1* C 34 H1* C 34 10.366 -16.602 4.143
364 1H4 C 34 1H4 C 34 8.128 -12.954 -0.605
365 2H4 C 34 2H4 C 34 9.722 -12.910 -1.326
366 H5 C 34 H5 C 34 11.613 -14.239 -0.476
367 H6 C 34 H6 C 34 12.290 -15.829 1.211
Start of MODEL 18
1 1H5* G 1 1H5* G 1 1.052 -13.250 1.906
2 2H5* G 1 2H5* G 1 2.422 -13.157 0.800
3 H4* G 1 H4* G 1 1.836 -15.468 2.665
4 H3* G 1 H3* G 1 3.836 -13.205 2.879
5 H2* G 1 H2* G 1 5.315 -14.712 3.994
6 2HO* G 1 2HO* G 1 4.632 -16.740 4.670
7 H1* G 1 H1* G 1 4.900 -16.757 2.233
8 H8 G 1 H8 G 1 4.807 -13.617 0.179
9 H1 G 1 H1 G 1 10.749 -15.270 1.864
10 1H2 G 1 1H2 G 1 10.696 -16.852 3.405
11 2H2 G 1 2H2 G 1 9.193 -17.509 4.013
12 1H5* G 2 1H5* G 2 3.699 -14.847 6.944
13 2H5* G 2 2H5* G 2 3.991 -13.483 8.059
14 H4* G 2 H4* G 2 5.640 -15.453 8.137
15 H3* G 2 H3* G 2 6.661 -12.640 7.669
16 H2* G 2 H2* G 2 8.877 -13.519 7.840
17 2HO* G 2 2HO* G 2 9.215 -15.674 8.522
18 H1* G 2 H1* G 2 8.288 -15.798 6.354
19 H8 G 2 H8 G 2 6.551 -13.217 4.387
20 H1 G 2 H1 G 2 12.891 -12.525 3.963
21 1H2 G 2 1H2 G 2 13.904 -13.714 5.528
22 2H2 G 2 2H2 G 2 13.015 -14.694 6.673
23 1H5* A 3 1H5* A 3 8.943 -13.932 11.328
24 2H5* A 3 2H5* A 3 8.693 -12.547 12.426
25 H4* A 3 H4* A 3 11.061 -13.115 12.320
26 H3* A 3 H3* A 3 10.397 -10.564 10.830
27 H2* A 3 H2* A 3 12.774 -10.233 10.559
28 2HO* A 3 2HO* A 3 14.222 -11.750 11.520
29 H1* A 3 H1* A 3 13.182 -12.800 9.714
30 H8 A 3 H8 A 3 9.772 -11.939 8.414
31 1H6 A 3 1H6 A 3 12.567 -8.837 3.856
32 2H6 A 3 2H6 A 3 11.048 -9.479 4.436
33 H2 A 3 H2 A 3 15.644 -9.902 6.946
34 1H5* G 4 1H5* G 4 13.383 -9.392 13.508
35 2H5* G 4 2H5* G 4 13.005 -7.824 14.268
36 H4* G 4 H4* G 4 15.234 -7.823 13.218
37 H3* G 4 H3* G 4 13.192 -6.082 11.811
38 H2* G 4 H2* G 4 14.986 -5.280 10.426
39 2HO* G 4 2HO* G 4 16.651 -5.236 12.035
40 H1* G 4 H1* G 4 15.945 -7.793 9.938
41 H8 G 4 H8 G 4 12.254 -8.289 10.210
42 H1 G 4 H1 G 4 13.945 -5.463 4.735
43 1H2 G 4 1H2 G 4 16.051 -4.798 4.835
44 2H2 G 4 2H2 G 4 17.044 -5.068 6.248
45 1H5* G 5 1H5* G 5 16.366 -3.179 12.483
46 2H5* G 5 2H5* G 5 15.534 -1.714 13.069
47 H4* G 5 H4* G 5 16.998 -1.351 11.058
48 H3* G 5 H3* G 5 14.031 -0.831 10.730
49 H2* G 5 H2* G 5 14.517 0.037 8.544
50 2HO* G 5 2HO* G 5 16.724 0.206 7.869
51 H1* G 5 H1* G 5 16.189 -2.045 7.897
52 H8 G 5 H8 G 5 13.554 -3.718 9.937
53 H1 G 5 H1 G 5 11.396 -2.016 4.161
54 1H2 G 5 1H2 G 5 12.833 -0.655 3.170
55 2H2 G 5 2H2 G 5 14.323 -0.159 3.942
56 1H5* A 6 1H5* A 6 16.277 2.765 9.455
57 2H5* A 6 2H5* A 6 15.265 4.195 9.800
58 H4* A 6 H4* A 6 16.088 3.800 7.367
59 H3* A 6 H3* A 6 13.163 4.289 7.984
60 H2* A 6 H2* A 6 12.782 4.362 5.626
61 2HO* A 6 2HO* A 6 14.550 4.346 4.174
62 H1* A 6 H1* A 6 14.431 2.210 5.103
63 H8 A 6 H8 A 6 12.500 1.394 8.238
64 1H6 A 6 1H6 A 6 7.802 -0.234 4.571
65 2H6 A 6 2H6 A 6 8.426 -0.261 6.204
66 H2 A 6 H2 A 6 10.886 1.843 2.060
67 1H5* C 7 1H5* C 7 14.328 6.849 4.829
68 2H5* C 7 2H5* C 7 13.422 8.382 4.887
69 H4* C 7 H4* C 7 13.184 6.986 2.760
70 H3* C 7 H3* C 7 10.713 7.714 4.335
71 H2* C 7 H2* C 7 9.409 6.798 2.547
72 2HO* C 7 2HO* C 7 10.618 7.597 0.770
73 H1* C 7 H1* C 7 11.117 4.621 2.193
74 1H4 C 7 1H4 C 7 6.285 2.617 5.866
75 2H4 C 7 2H4 C 7 7.191 3.070 7.294
76 H5 C 7 H5 C 7 9.336 4.272 7.193
77 H6 C 7 H6 C 7 10.970 5.247 5.697
78 1H5* A 8 1H5* A 8 8.366 10.688 0.334
79 2H5* A 8 2H5* A 8 7.575 10.166 1.847
80 H4* A 8 H4* A 8 7.583 8.902 -0.858
81 H3* A 8 H3* A 8 5.585 9.288 1.366
82 H2* A 8 H2* A 8 4.397 7.306 0.725
83 2HO* A 8 2HO* A 8 5.115 6.123 -1.141
84 H1* A 8 H1* A 8 6.548 5.742 0.584
85 H8 A 8 H8 A 8 7.914 8.010 3.106
86 1H6 A 8 1H6 A 8 4.100 5.525 7.306
87 2H6 A 8 2H6 A 8 5.508 6.534 7.070
88 H2 A 8 H2 A 8 2.744 4.255 3.227
89 1H5* U 9 1H5* U 9 3.514 8.064 -1.220
90 2H5* U 9 2H5* U 9 2.236 9.030 -1.992
91 H4* U 9 H4* U 9 1.442 6.799 -1.385
92 H3* U 9 H3* U 9 0.200 9.211 -0.303
93 H2* U 9 H2* U 9 -0.371 8.354 1.759
94 2HO* U 9 2HO* U 9 -1.326 6.140 0.287
95 H1* U 9 H1* U 9 0.713 5.688 1.557
96 H3 U 9 H3 U 9 0.892 6.769 5.989
97 H5 U 9 H5 U 9 3.836 9.142 4.140
98 H6 U 9 H6 U 9 3.017 8.395 2.012
99 1H5* U 10 1H5* U 10 -2.026 9.295 1.055
100 2H5* U 10 2H5* U 10 -3.499 9.989 0.337
101 H4* U 10 H4* U 10 -2.531 12.172 0.316
102 H3* U 10 H3* U 10 -0.018 11.178 0.108
103 H2* U 10 H2* U 10 -0.032 10.276 2.319
104 2HO* U 10 2HO* U 10 1.144 12.849 2.395
105 H1* U 10 H1* U 10 -1.204 12.947 3.158
106 H3 U 10 H3 U 10 -2.551 11.755 7.427
107 H5 U 10 H5 U 10 -0.394 8.426 5.986
108 H6 U 10 H6 U 10 -0.311 9.503 3.833
109 1H5* C 11 1H5* C 11 -2.639 15.650 1.448
110 2H5* C 11 2H5* C 11 -2.214 13.989 1.929
111 H4* C 11 H4* C 11 -4.904 15.093 1.114
112 H3* C 11 H3* C 11 -3.799 14.190 3.677
113 H2* C 11 H2* C 11 -4.619 12.032 3.475
114 2HO* C 11 2HO* C 11 -6.276 13.060 4.783
115 H1* C 11 H1* C 11 -6.629 12.920 1.403
116 1H4 C 11 1H4 C 11 -6.384 6.869 -0.673
117 2H4 C 11 2H4 C 11 -5.470 6.404 0.742
118 H5 C 11 H5 C 11 -4.670 8.023 2.408
119 H6 C 11 H6 C 11 -4.612 10.359 2.985
120 1H5* C 12 1H5* C 12 -8.192 14.275 4.056
121 2H5* C 12 2H5* C 12 -8.459 15.942 4.646
122 H4* C 12 H4* C 12 -10.239 14.622 5.448
123 H3* C 12 H3* C 12 -8.613 15.875 7.363
124 H2* C 12 H2* C 12 -7.597 13.850 8.101
125 2HO* C 12 2HO* C 12 -8.999 12.943 9.840
126 H1* C 12 H1* C 12 -10.239 12.409 7.659
127 1H4 C 12 1H4 C 12 -6.366 7.492 8.998
128 2H4 C 12 2H4 C 12 -5.489 7.784 7.514
129 H5 C 12 H5 C 12 -5.931 9.723 6.063
130 H6 C 12 H6 C 12 -7.287 11.690 5.799
131 1H5* U 13 1H5* U 13 -14.248 14.565 6.713
132 2H5* U 13 2H5* U 13 -12.733 14.152 7.554
133 H4* U 13 H4* U 13 -12.035 14.981 4.944
134 H3* U 13 H3* U 13 -14.628 13.953 4.679
135 H2* U 13 H2* U 13 -14.115 11.822 5.545
136 2HO* U 13 2HO* U 13 -14.773 11.479 3.354
137 H1* U 13 H1* U 13 -11.456 11.887 4.120
138 H3 U 13 H3 U 13 -9.517 8.462 6.423
139 H5 U 13 H5 U 13 -13.115 9.213 8.471
140 H6 U 13 H6 U 13 -13.481 11.072 7.045
141 1H5* C 14 1H5* C 14 -12.871 12.547 -0.107
142 2H5* C 14 2H5* C 14 -12.750 12.067 1.604
143 H4* C 14 H4* C 14 -10.359 12.012 -0.243
144 H3* C 14 H3* C 14 -12.345 9.772 0.263
145 H2* C 14 H2* C 14 -10.523 8.246 0.011
146 2HO* C 14 2HO* C 14 -8.848 10.446 -0.684
147 H1* C 14 H1* C 14 -8.744 9.870 1.427
148 1H4 C 14 1H4 C 14 -10.744 5.549 5.649
149 2H4 C 14 2H4 C 14 -12.242 6.427 5.882
150 H5 C 14 H5 C 14 -12.855 8.415 4.562
151 H6 C 14 H6 C 14 -12.112 9.881 2.795
152 1H5* A 15 1H5* A 15 -9.834 8.856 -3.088
153 2H5* A 15 2H5* A 15 -10.636 7.779 -4.254
154 H4* A 15 H4* A 15 -8.431 6.961 -3.265
155 H3* A 15 H3* A 15 -10.926 5.277 -2.974
156 H2* A 15 H2* A 15 -9.581 3.559 -1.960
157 2HO* A 15 2HO* A 15 -7.294 3.805 -1.899
158 H1* A 15 H1* A 15 -8.203 5.310 -0.358
159 H8 A 15 H8 A 15 -11.830 6.272 -0.940
160 1H6 A 15 1H6 A 15 -13.020 2.781 4.107
161 2H6 A 15 2H6 A 15 -13.726 3.889 2.950
162 H2 A 15 H2 A 15 -8.676 2.338 2.945
163 1H5* C 16 1H5* C 16 -7.860 2.923 -4.797
164 2H5* C 16 2H5* C 16 -8.509 1.677 -5.898
165 H4* C 16 H4* C 16 -7.089 0.796 -4.016
166 H3* C 16 H3* C 16 -9.986 -0.078 -4.129
167 H2* C 16 H2* C 16 -9.507 -1.584 -2.324
168 2HO* C 16 2HO* C 16 -7.344 -1.861 -1.611
169 H1* C 16 H1* C 16 -8.000 0.279 -0.935
170 1H4 C 16 1H4 C 16 -13.874 0.693 1.513
171 2H4 C 16 2H4 C 16 -14.335 1.818 0.254
172 H5 C 16 H5 C 16 -12.863 2.392 -1.621
173 H6 C 16 H6 C 16 -10.701 1.992 -2.615
174 1H5* G 17 1H5* G 17 -7.358 -3.437 -4.018
175 2H5* G 17 2H5* G 17 -7.879 -4.728 -5.132
176 H4* G 17 H4* G 17 -7.358 -5.540 -2.836
177 H3* G 17 H3* G 17 -10.222 -5.800 -3.772
178 H2* G 17 H2* G 17 -10.721 -6.983 -1.738
179 2HO* G 17 2HO* G 17 -7.894 -6.839 -1.260
180 H1* G 17 H1* G 17 -9.422 -5.180 -0.147
181 H8 G 17 H8 G 17 -10.765 -2.983 -2.830
182 H1 G 17 H1 G 17 -15.388 -5.078 1.059
183 1H2 G 17 1H2 G 17 -14.641 -6.733 2.317
184 2H2 G 17 2H2 G 17 -12.996 -7.320 2.208
185 1H5* G 18 1H5* G 18 -9.238 -9.541 -2.367
186 2H5* G 18 2H5* G 18 -9.826 -10.844 -3.433
187 H4* G 18 H4* G 18 -10.594 -11.025 -1.052
188 H3* G 18 H3* G 18 -12.720 -10.615 -3.166
189 H2* G 18 H2* G 18 -14.364 -10.953 -1.463
190 2HO* G 18 2HO* G 18 -13.171 -12.697 -0.395
191 H1* G 18 H1* G 18 -12.986 -9.430 0.416
192 H8 G 18 H8 G 18 -12.625 -7.487 -2.739
193 H1 G 18 H1 G 18 -18.558 -7.128 -0.356
194 1H2 G 18 1H2 G 18 -18.840 -8.652 1.220
195 2H2 G 18 2H2 G 18 -17.568 -9.757 1.687
196 1H5* G 19 1H5* G 19 -15.044 -12.102 -5.342
197 2H5* G 19 2H5* G 19 -14.452 -11.325 -3.853
198 H4* G 19 H4* G 19 -16.048 -13.322 -2.863
199 H3* G 19 H3* G 19 -17.326 -12.291 -5.405
200 H2* G 19 H2* G 19 -19.452 -12.368 -4.288
201 2HO* G 19 2HO* G 19 -19.522 -13.157 -2.101
202 H1* G 19 H1* G 19 -18.528 -11.087 -2.077
203 H8 G 19 H8 G 19 -16.928 -10.250 -5.510
204 H1 G 19 H1 G 19 -21.674 -6.371 -3.705
205 1H2 G 19 1H2 G 19 -22.568 -7.080 -1.827
206 2H2 G 19 2H2 G 19 -21.997 -8.512 -1.003
207 1H5* U 20 1H5* U 20 -18.869 -13.072 -8.148
208 2H5* U 20 2H5* U 20 -19.003 -13.122 -6.375
209 H4* U 20 H4* U 20 -20.766 -14.338 -8.462
210 H3* U 20 H3* U 20 -21.219 -13.070 -5.750
211 H2* U 20 H2* U 20 -23.331 -14.159 -5.664
212 2HO* U 20 2HO* U 20 -23.884 -13.692 -7.906
213 H1* U 20 H1* U 20 -22.388 -16.513 -6.886
214 H3 U 20 H3 U 20 -22.427 -18.686 -2.980
215 H5 U 20 H5 U 20 -21.061 -14.863 -1.876
216 H6 U 20 H6 U 20 -21.166 -14.222 -4.208
217 1H5* G 21 1H5* G 21 -24.450 -11.152 -7.102
218 2H5* G 21 2H5* G 21 -24.414 -9.418 -6.693
219 H4* G 21 H4* G 21 -26.245 -10.711 -5.566
220 H3* G 21 H3* G 21 -24.146 -9.411 -3.824
221 H2* G 21 H2* G 21 -25.397 -10.101 -1.908
222 2HO* G 21 2HO* G 21 -27.510 -9.694 -2.673
223 H1* G 21 H1* G 21 -25.908 -12.613 -2.855
224 H8 G 21 H8 G 21 -22.418 -11.126 -3.626
225 H1 G 21 H1 G 21 -22.736 -14.660 1.687
226 1H2 G 21 1H2 G 21 -24.825 -15.251 2.094
227 2H2 G 21 2H2 G 21 -26.148 -14.771 1.057
228 1H5* A 22 1H5* A 22 -27.934 -7.346 -2.629
229 2H5* A 22 2H5* A 22 -27.512 -5.882 -1.700
230 H4* A 22 H4* A 22 -28.716 -7.728 -0.423
231 H3* A 22 H3* A 22 -25.989 -6.842 0.541
232 H2* A 22 H2* A 22 -26.400 -8.188 2.502
233 2HO* A 22 2HO* A 22 -28.715 -7.730 2.611
234 H1* A 22 H1* A 22 -27.242 -10.320 0.986
235 H8 A 22 H8 A 22 -24.573 -8.612 -1.030
236 1H6 A 22 1H6 A 22 -20.359 -11.533 2.380
237 2H6 A 22 2H6 A 22 -20.634 -10.560 0.953
238 H2 A 22 H2 A 22 -24.331 -12.118 4.313
239 1H5* C 23 1H5* C 23 -26.897 -6.094 3.388
240 2H5* C 23 2H5* C 23 -26.077 -4.833 4.339
241 H4* C 23 H4* C 23 -25.173 -7.282 4.372
242 H3* C 23 H3* C 23 -23.370 -4.905 3.873
243 H2* C 23 H2* C 23 -21.521 -6.429 3.990
244 2HO* C 23 2HO* C 23 -21.845 -8.585 4.630
245 H1* C 23 H1* C 23 -22.787 -8.343 2.439
246 1H4 C 23 1H4 C 23 -19.213 -4.812 -1.508
247 2H4 C 23 2H4 C 23 -20.575 -3.744 -1.780
248 H5 C 23 H5 C 23 -22.688 -3.933 -0.536
249 H6 C 23 H6 C 23 -23.872 -5.187 1.164
250 1H5* C 24 1H5* C 24 -21.845 -7.162 7.095
251 2H5* C 24 2H5* C 24 -20.986 -6.161 8.296
252 H4* C 24 H4* C 24 -19.614 -8.019 7.299
253 H3* C 24 H3* C 24 -18.678 -5.186 6.774
254 H2* C 24 H2* C 24 -16.684 -6.154 5.849
255 2HO* C 24 2HO* C 24 -16.365 -8.433 5.985
256 H1* C 24 H1* C 24 -18.091 -8.117 4.474
257 1H4 C 24 1H4 C 24 -17.137 -3.360 0.323
258 2H4 C 24 2H4 C 24 -18.569 -2.542 0.909
259 H5 C 24 H5 C 24 -19.866 -3.344 2.832
260 H6 C 24 H6 C 24 -20.023 -5.062 4.516
261 1H5* G 25 1H5* G 25 -15.632 -7.499 8.437
262 2H5* G 25 2H5* G 25 -14.600 -6.608 9.582
263 H4* G 25 H4* G 25 -13.369 -7.807 7.738
264 H3* G 25 H3* G 25 -13.116 -4.800 7.919
265 H2* G 25 H2* G 25 -11.471 -4.915 6.180
266 2HO* G 25 2HO* G 25 -10.782 -6.973 5.404
267 H1* G 25 H1* G 25 -12.951 -6.634 4.633
268 H8 G 25 H8 G 25 -15.603 -4.480 6.094
269 H1 G 25 H1 G 25 -12.099 -1.299 1.778
270 1H2 G 25 1H2 G 25 -10.263 -2.432 1.302
271 2H2 G 25 2H2 G 25 -9.904 -3.980 2.031
272 1H5* U 26 1H5* U 26 -9.290 -6.079 7.706
273 2H5* U 26 2H5* U 26 -8.195 -5.198 8.806
274 H4* U 26 H4* U 26 -7.593 -5.113 6.347
275 H3* U 26 H3* U 26 -8.149 -2.514 7.794
276 H2* U 26 H2* U 26 -7.460 -1.360 5.816
277 2HO* U 26 2HO* U 26 -6.627 -3.915 4.818
278 H1* U 26 H1* U 26 -8.701 -3.181 4.088
279 H3 U 26 H3 U 26 -10.659 1.012 3.845
280 H5 U 26 H5 U 26 -12.763 -1.128 6.807
281 H6 U 26 H6 U 26 -11.047 -2.833 6.701
282 1H5* G 27 1H5* G 27 -4.271 -3.065 5.956
283 2H5* G 27 2H5* G 27 -2.933 -2.093 6.622
284 H4* G 27 H4* G 27 -3.712 -2.055 4.028
285 H3* G 27 H3* G 27 -1.827 -0.608 5.428
286 H2* G 27 H2* G 27 -3.306 1.107 6.115
287 2HO* G 27 2HO* G 27 -2.477 1.958 3.534
288 H1* G 27 H1* G 27 -4.634 1.097 3.394
289 H8 G 27 H8 G 27 -5.846 0.602 7.032
290 H1 G 27 H1 G 27 -8.306 5.688 4.039
291 1H2 G 27 1H2 G 27 -7.381 5.924 2.050
292 2H2 G 27 2H2 G 27 -6.167 4.816 1.446
293 1H5* G 28 1H5* G 28 -2.099 -0.030 0.447
294 2H5* G 28 2H5* G 28 -1.758 -1.627 -0.260
295 H4* G 28 H4* G 28 -0.701 -0.064 -1.671
296 H3* G 28 H3* G 28 1.274 -1.292 0.253
297 H2* G 28 H2* G 28 3.022 0.000 -0.723
298 2HO* G 28 2HO* G 28 2.612 1.286 -2.573
299 H1* G 28 H1* G 28 1.659 2.317 -0.704
300 H8 G 28 H8 G 28 0.350 0.540 2.344
301 H1 G 28 H1 G 28 6.227 2.939 3.177
302 1H2 G 28 1H2 G 28 7.065 3.604 1.244
303 2H2 G 28 2H2 G 28 6.180 3.452 -0.257
304 1H5* U 29 1H5* U 29 2.969 -2.133 -3.876
305 2H5* U 29 2H5* U 29 4.047 -3.545 -3.700
306 H4* U 29 H4* U 29 5.047 -1.284 -4.503
307 H3* U 29 H3* U 29 6.260 -2.820 -2.194
308 H2* U 29 H2* U 29 8.015 -1.217 -2.187
309 2HO* U 29 2HO* U 29 8.256 0.267 -3.895
310 H1* U 29 H1* U 29 6.314 0.934 -2.745
311 H3 U 29 H3 U 29 8.330 1.187 1.505
312 H5 U 29 H5 U 29 4.724 -0.947 1.979
313 H6 U 29 H6 U 29 4.536 -1.036 -0.417
314 1H5* C 30 1H5* C 30 9.426 -1.882 -4.894
315 2H5* C 30 2H5* C 30 10.726 -3.095 -4.754
316 H4* C 30 H4* C 30 11.210 -0.604 -4.111
317 H3* C 30 H3* C 30 11.975 -2.959 -2.381
318 H2* C 30 H2* C 30 12.980 -1.461 -0.825
319 2HO* C 30 2HO* C 30 12.605 0.543 -2.835
320 H1* C 30 H1* C 30 10.996 0.472 -1.025
321 1H4 C 30 1H4 C 30 9.760 -3.181 4.129
322 2H4 C 30 2H4 C 30 8.488 -3.941 3.203
323 H5 C 30 H5 C 30 8.145 -3.532 0.817
324 H6 C 30 H6 C 30 8.963 -2.327 -1.101
325 1H5* C 31 1H5* C 31 15.431 -0.735 -2.245
326 2H5* C 31 2H5* C 31 16.762 -1.724 -2.903
327 H4* C 31 H4* C 31 17.503 -0.830 -0.808
328 H3* C 31 H3* C 31 16.650 -3.720 -0.527
329 H2* C 31 H2* C 31 17.387 -3.661 1.752
330 2HO* C 31 2HO* C 31 18.420 -1.735 2.543
331 H1* C 31 H1* C 31 16.206 -1.246 2.279
332 1H4 C 31 1H4 C 31 11.803 -5.639 3.711
333 2H4 C 31 2H4 C 31 11.207 -5.586 2.069
334 H5 C 31 H5 C 31 12.309 -4.297 0.297
335 H6 C 31 H6 C 31 14.167 -2.837 -0.194
336 1H5* U 32 1H5* U 32 19.890 -4.097 1.647
337 2H5* U 32 2H5* U 32 21.044 -5.091 0.725
338 H4* U 32 H4* U 32 21.005 -6.056 2.866
339 H3* U 32 H3* U 32 19.070 -7.589 1.121
340 H2* U 32 H2* U 32 18.775 -9.103 2.936
341 2HO* U 32 2HO* U 32 20.055 -8.918 4.813
342 H1* U 32 H1* U 32 18.491 -7.161 4.791
343 H3 U 32 H3 U 32 14.427 -8.971 4.015
344 H5 U 32 H5 U 32 14.852 -6.032 1.057
345 H6 U 32 H6 U 32 17.196 -5.781 1.734
346 1H5* C 33 1H5* C 33 21.562 -10.375 3.169
347 2H5* C 33 2H5* C 33 21.843 -11.816 2.160
348 H4* C 33 H4* C 33 20.825 -12.305 4.403
349 H3* C 33 H3* C 33 19.132 -12.974 1.981
350 H2* C 33 H2* C 33 17.630 -14.057 3.490
351 2HO* C 33 2HO* C 33 18.176 -14.280 5.700
352 H1* C 33 H1* C 33 17.721 -12.014 5.336
353 1H4 C 33 1H4 C 33 12.683 -10.846 1.586
354 2H4 C 33 2H4 C 33 13.707 -9.997 0.448
355 H5 C 33 H5 C 33 16.159 -9.889 0.677
356 H6 C 33 H6 C 33 18.032 -10.593 2.032
357 1H5* C 34 1H5* C 34 19.323 -16.378 4.622
358 2H5* C 34 2H5* C 34 19.375 -17.852 3.629
359 H4* C 34 H4* C 34 17.536 -17.774 5.361
360 H3* C 34 H3* C 34 16.757 -18.028 2.445
361 H2* C 34 H2* C 34 14.499 -18.348 3.159
362 2HO* C 34 2HO* C 34 14.036 -18.615 5.400
363 H1* C 34 H1* C 34 14.638 -16.387 5.138
364 1H4 C 34 1H4 C 34 11.992 -13.648 0.004
365 2H4 C 34 2H4 C 34 13.580 -13.188 -0.572
366 H5 C 34 H5 C 34 15.661 -13.920 0.519
367 H6 C 34 H6 C 34 16.567 -15.209 2.350
Start of MODEL 19
1 1H5* G 1 1H5* G 1 -0.575 -6.408 2.578
2 2H5* G 1 2H5* G 1 0.733 -6.586 1.409
3 H4* G 1 H4* G 1 -0.714 -8.870 2.771
4 H3* G 1 H3* G 1 2.001 -7.643 3.305
5 H2* G 1 H2* G 1 2.778 -9.810 3.943
6 2HO* G 1 2HO* G 1 1.376 -11.510 4.274
7 H1* G 1 H1* G 1 1.616 -11.082 1.824
8 H8 G 1 H8 G 1 2.737 -7.801 0.436
9 H1 G 1 H1 G 1 7.626 -11.799 1.429
10 1H2 G 1 1H2 G 1 6.974 -13.520 2.652
11 2H2 G 1 2H2 G 1 5.326 -13.691 3.215
12 1H5* G 2 1H5* G 2 1.300 -10.088 6.706
13 2H5* G 2 2H5* G 2 1.907 -9.253 8.161
14 H4* G 2 H4* G 2 2.890 -11.548 7.714
15 H3* G 2 H3* G 2 4.769 -9.175 7.806
16 H2* G 2 H2* G 2 6.579 -10.726 7.667
17 2HO* G 2 2HO* G 2 6.205 -12.968 7.894
18 H1* G 2 H1* G 2 5.280 -12.356 5.801
19 H8 G 2 H8 G 2 4.592 -9.040 4.395
20 H1 G 2 H1 G 2 10.815 -10.442 3.950
21 1H2 G 2 1H2 G 2 11.308 -12.164 5.246
22 2H2 G 2 2H2 G 2 10.101 -12.978 6.216
23 1H5* A 3 1H5* A 3 6.506 -11.791 10.959
24 2H5* A 3 2H5* A 3 6.475 -10.711 12.380
25 H4* A 3 H4* A 3 8.655 -11.658 12.322
26 H3* A 3 H3* A 3 8.740 -8.911 11.049
27 H2* A 3 H2* A 3 11.146 -9.145 10.990
28 2HO* A 3 2HO* A 3 12.149 -10.880 11.990
29 H1* A 3 H1* A 3 11.003 -11.650 9.896
30 H8 A 3 H8 A 3 8.021 -9.808 8.536
31 1H6 A 3 1H6 A 3 11.863 -7.194 4.464
32 2H6 A 3 2H6 A 3 10.188 -7.440 4.902
33 H2 A 3 H2 A 3 14.317 -9.335 7.542
34 1H5* G 4 1H5* G 4 11.654 -8.566 13.969
35 2H5* G 4 2H5* G 4 11.480 -7.039 14.874
36 H4* G 4 H4* G 4 13.750 -7.271 14.004
37 H3* G 4 H3* G 4 12.143 -5.187 12.498
38 H2* G 4 H2* G 4 14.210 -4.585 11.413
39 2HO* G 4 2HO* G 4 15.617 -4.919 13.241
40 H1* G 4 H1* G 4 14.818 -7.199 10.856
41 H8 G 4 H8 G 4 11.100 -7.099 10.639
42 H1 G 4 H1 G 4 13.929 -4.237 5.675
43 1H2 G 4 1H2 G 4 16.078 -3.933 6.095
44 2H2 G 4 2H2 G 4 16.814 -4.452 7.592
45 1H5* G 5 1H5* G 5 15.439 -2.462 13.722
46 2H5* G 5 2H5* G 5 14.510 -1.040 14.263
47 H4* G 5 H4* G 5 16.225 -0.593 12.457
48 H3* G 5 H3* G 5 13.322 -0.017 11.794
49 H2* G 5 H2* G 5 14.116 1.005 9.771
50 2HO* G 5 2HO* G 5 16.371 1.246 9.431
51 H1* G 5 H1* G 5 15.878 -1.055 9.241
52 H8 G 5 H8 G 5 12.890 -2.776 10.675
53 H1 G 5 H1 G 5 11.855 -0.647 4.725
54 1H2 G 5 1H2 G 5 13.478 0.732 4.114
55 2H2 G 5 2H2 G 5 14.812 1.123 5.174
56 1H5* A 6 1H5* A 6 15.585 3.935 11.091
57 2H5* A 6 2H5* A 6 14.307 5.152 11.356
58 H4* A 6 H4* A 6 15.530 5.056 9.048
59 H3* A 6 H3* A 6 12.507 5.114 9.256
60 H2* A 6 H2* A 6 12.454 5.315 6.875
61 2HO* A 6 2HO* A 6 14.465 5.571 5.725
62 H1* A 6 H1* A 6 14.474 3.459 6.484
63 H8 A 6 H8 A 6 12.342 1.952 9.153
64 1H6 A 6 1H6 A 6 8.316 0.369 4.744
65 2H6 A 6 2H6 A 6 8.772 0.153 6.416
66 H2 A 6 H2 A 6 11.285 3.246 2.983
67 1H5* C 7 1H5* C 7 13.735 8.176 6.465
68 2H5* C 7 2H5* C 7 12.559 9.515 6.523
69 H4* C 7 H4* C 7 12.897 8.328 4.269
70 H3* C 7 H3* C 7 10.128 8.518 5.462
71 H2* C 7 H2* C 7 9.288 7.626 3.402
72 2HO* C 7 2HO* C 7 10.660 7.407 1.600
73 H1* C 7 H1* C 7 11.344 5.764 3.188
74 1H4 C 7 1H4 C 7 6.349 2.764 5.823
75 2H4 C 7 2H4 C 7 6.980 3.139 7.413
76 H5 C 7 H5 C 7 8.934 4.594 7.769
77 H6 C 7 H6 C 7 10.608 5.937 6.650
78 1H5* A 8 1H5* A 8 8.049 11.590 1.376
79 2H5* A 8 2H5* A 8 7.055 10.879 2.676
80 H4* A 8 H4* A 8 7.558 9.927 -0.082
81 H3* A 8 H3* A 8 5.340 9.670 1.945
82 H2* A 8 H2* A 8 4.562 7.649 0.915
83 2HO* A 8 2HO* A 8 5.565 6.898 -1.013
84 H1* A 8 H1* A 8 6.957 6.477 0.784
85 H8 A 8 H8 A 8 7.596 8.565 3.746
86 1H6 A 8 1H6 A 8 4.072 4.709 7.075
87 2H6 A 8 2H6 A 8 5.234 6.014 7.152
88 H2 A 8 H2 A 8 3.405 3.846 2.725
89 1H5* U 9 1H5* U 9 3.773 8.667 -1.163
90 2H5* U 9 2H5* U 9 2.390 9.516 -1.894
91 H4* U 9 H4* U 9 2.025 7.099 -1.811
92 H3* U 9 H3* U 9 0.220 8.963 -0.470
93 H2* U 9 H2* U 9 -0.329 7.620 1.321
94 2HO* U 9 2HO* U 9 -1.630 6.447 -0.321
95 H1* U 9 H1* U 9 1.302 5.298 0.787
96 H3 U 9 H3 U 9 1.002 5.439 5.322
97 H5 U 9 H5 U 9 3.348 8.773 4.284
98 H6 U 9 H6 U 9 2.856 8.322 1.970
99 1H5* U 10 1H5* U 10 -2.124 8.321 0.648
100 2H5* U 10 2H5* U 10 -3.649 8.810 -0.127
101 H4* U 10 H4* U 10 -3.230 11.105 0.343
102 H3* U 10 H3* U 10 -0.543 10.749 0.228
103 H2* U 10 H2* U 10 -0.460 9.488 2.246
104 2HO* U 10 2HO* U 10 0.021 12.204 2.872
105 H1* U 10 H1* U 10 -2.307 11.594 3.419
106 H3 U 10 H3 U 10 -3.594 9.278 7.216
107 H5 U 10 H5 U 10 -0.569 6.923 5.453
108 H6 U 10 H6 U 10 -0.626 8.401 3.554
109 1H5* C 11 1H5* C 11 -4.198 14.199 1.996
110 2H5* C 11 2H5* C 11 -3.442 12.602 2.220
111 H4* C 11 H4* C 11 -6.249 13.247 1.302
112 H3* C 11 H3* C 11 -5.155 12.175 3.810
113 H2* C 11 H2* C 11 -5.503 9.959 3.221
114 2HO* C 11 2HO* C 11 -7.446 10.421 4.452
115 H1* C 11 H1* C 11 -7.463 10.766 1.067
116 1H4 C 11 1H4 C 11 -5.827 5.265 -1.753
117 2H4 C 11 2H4 C 11 -4.836 4.823 -0.383
118 H5 C 11 H5 C 11 -4.446 6.325 1.521
119 H6 C 11 H6 C 11 -4.938 8.502 2.423
120 1H5* C 12 1H5* C 12 -9.459 11.374 3.802
121 2H5* C 12 2H5* C 12 -10.132 12.811 4.631
122 H4* C 12 H4* C 12 -11.576 10.964 5.018
123 H3* C 12 H3* C 12 -10.554 12.321 7.227
124 H2* C 12 H2* C 12 -8.948 10.614 7.738
125 2HO* C 12 2HO* C 12 -10.050 9.132 9.308
126 H1* C 12 H1* C 12 -11.074 8.556 7.013
127 1H4 C 12 1H4 C 12 -6.088 4.700 8.107
128 2H4 C 12 2H4 C 12 -5.282 5.355 6.701
129 H5 C 12 H5 C 12 -6.178 7.250 5.414
130 H6 C 12 H6 C 12 -7.992 8.823 5.263
131 1H5* U 13 1H5* U 13 -15.644 9.713 5.932
132 2H5* U 13 2H5* U 13 -14.217 9.397 6.949
133 H4* U 13 H4* U 13 -13.441 11.017 4.722
134 H3* U 13 H3* U 13 -15.501 9.494 3.720
135 H2* U 13 H2* U 13 -14.551 7.437 4.541
136 2HO* U 13 2HO* U 13 -14.849 7.406 2.164
137 H1* U 13 H1* U 13 -11.911 8.450 3.459
138 H3 U 13 H3 U 13 -9.265 5.195 5.272
139 H5 U 13 H5 U 13 -13.045 4.601 7.038
140 H6 U 13 H6 U 13 -13.807 6.550 5.943
141 1H5* C 14 1H5* C 14 -13.846 8.080 -1.300
142 2H5* C 14 2H5* C 14 -13.546 7.480 0.350
143 H4* C 14 H4* C 14 -11.400 8.743 -1.375
144 H3* C 14 H3* C 14 -12.124 5.819 -1.071
145 H2* C 14 H2* C 14 -9.797 5.284 -1.263
146 2HO* C 14 2HO* C 14 -9.304 8.058 -1.737
147 H1* C 14 H1* C 14 -8.978 7.322 0.407
148 1H4 C 14 1H4 C 14 -9.683 2.151 4.104
149 2H4 C 14 2H4 C 14 -11.329 2.640 4.449
150 H5 C 14 H5 C 14 -12.427 4.543 3.339
151 H6 C 14 H6 C 14 -12.113 6.285 1.704
152 1H5* A 15 1H5* A 15 -9.312 5.888 -3.975
153 2H5* A 15 2H5* A 15 -9.750 4.908 -5.395
154 H4* A 15 H4* A 15 -7.541 4.293 -4.463
155 H3* A 15 H3* A 15 -9.718 2.207 -4.215
156 H2* A 15 H2* A 15 -8.100 0.683 -3.298
157 2HO* A 15 2HO* A 15 -6.326 1.286 -4.684
158 H1* A 15 H1* A 15 -6.990 2.558 -1.625
159 H8 A 15 H8 A 15 -10.727 2.963 -2.150
160 1H6 A 15 1H6 A 15 -11.285 -0.817 2.796
161 2H6 A 15 2H6 A 15 -12.177 0.189 1.674
162 H2 A 15 H2 A 15 -6.945 -0.511 1.590
163 1H5* C 16 1H5* C 16 -6.686 0.151 -6.293
164 2H5* C 16 2H5* C 16 -7.367 -0.883 -7.580
165 H4* C 16 H4* C 16 -6.019 -2.178 -5.979
166 H3* C 16 H3* C 16 -8.995 -2.727 -5.841
167 H2* C 16 H2* C 16 -8.475 -4.532 -4.346
168 2HO* C 16 2HO* C 16 -6.300 -5.108 -3.962
169 H1* C 16 H1* C 16 -6.663 -3.017 -2.907
170 1H4 C 16 1H4 C 16 -12.164 -2.398 0.243
171 2H4 C 16 2H4 C 16 -12.685 -1.142 -0.860
172 H5 C 16 H5 C 16 -11.392 -0.492 -2.842
173 H6 C 16 H6 C 16 -9.384 -0.930 -4.109
174 1H5* G 17 1H5* G 17 -7.274 -6.477 -6.585
175 2H5* G 17 2H5* G 17 -8.158 -7.341 -7.871
176 H4* G 17 H4* G 17 -7.967 -8.800 -5.968
177 H3* G 17 H3* G 17 -10.747 -7.615 -6.165
178 H2* G 17 H2* G 17 -11.391 -9.057 -4.352
179 2HO* G 17 2HO* G 17 -9.911 -10.601 -3.549
180 H1* G 17 H1* G 17 -9.177 -8.434 -2.860
181 H8 G 17 H8 G 17 -10.167 -5.358 -4.839
182 H1 G 17 H1 G 17 -13.718 -6.270 0.403
183 1H2 G 17 1H2 G 17 -13.318 -8.269 1.264
184 2H2 G 17 2H2 G 17 -12.166 -9.374 0.548
185 1H5* G 18 1H5* G 18 -11.430 -11.727 -6.041
186 2H5* G 18 2H5* G 18 -12.769 -12.212 -7.117
187 H4* G 18 H4* G 18 -13.105 -12.862 -4.727
188 H3* G 18 H3* G 18 -15.055 -10.836 -5.855
189 H2* G 18 H2* G 18 -16.294 -11.034 -3.818
190 2HO* G 18 2HO* G 18 -16.057 -13.362 -3.629
191 H1* G 18 H1* G 18 -13.996 -11.104 -2.226
192 H8 G 18 H8 G 18 -13.462 -8.459 -4.848
193 H1 G 18 H1 G 18 -17.349 -6.547 -0.134
194 1H2 G 18 1H2 G 18 -17.936 -8.274 1.116
195 2H2 G 18 2H2 G 18 -17.370 -9.897 0.792
196 1H5* G 19 1H5* G 19 -17.500 -13.940 -4.218
197 2H5* G 19 2H5* G 19 -18.788 -14.302 -5.398
198 H4* G 19 H4* G 19 -19.666 -13.817 -3.124
199 H3* G 19 H3* G 19 -20.361 -11.781 -5.255
200 H2* G 19 H2* G 19 -21.819 -10.748 -3.643
201 2HO* G 19 2HO* G 19 -21.987 -11.743 -1.534
202 H1* G 19 H1* G 19 -19.928 -10.825 -1.666
203 H8 G 19 H8 G 19 -18.653 -10.306 -5.272
204 H1 G 19 H1 G 19 -19.937 -4.921 -2.070
205 1H2 G 19 1H2 G 19 -20.857 -5.391 -0.124
206 2H2 G 19 2H2 G 19 -21.152 -7.034 0.395
207 1H5* U 20 1H5* U 20 -22.370 -10.837 -7.596
208 2H5* U 20 2H5* U 20 -22.192 -11.035 -5.838
209 H4* U 20 H4* U 20 -24.551 -10.217 -7.438
210 H3* U 20 H3* U 20 -23.499 -9.670 -4.661
211 H2* U 20 H2* U 20 -25.671 -9.107 -3.905
212 2HO* U 20 2HO* U 20 -26.271 -7.936 -5.859
213 H1* U 20 H1* U 20 -26.958 -11.168 -5.172
214 H3 U 20 H3 U 20 -26.215 -11.503 -0.481
215 H5 U 20 H5 U 20 -23.780 -14.284 -2.489
216 H6 U 20 H6 U 20 -24.309 -13.134 -4.581
217 1H5* G 21 1H5* G 21 -25.677 -6.516 -4.674
218 2H5* G 21 2H5* G 21 -24.778 -5.071 -4.147
219 H4* G 21 H4* G 21 -26.665 -5.644 -2.638
220 H3* G 21 H3* G 21 -23.896 -5.921 -1.458
221 H2* G 21 H2* G 21 -24.945 -6.345 0.654
222 2HO* G 21 2HO* G 21 -27.166 -6.082 0.921
223 H1* G 21 H1* G 21 -26.776 -8.081 -0.379
224 H8 G 21 H8 G 21 -23.351 -8.319 -2.103
225 H1 G 21 H1 G 21 -23.954 -11.993 3.088
226 1H2 G 21 1H2 G 21 -25.857 -11.550 4.127
227 2H2 G 21 2H2 G 21 -26.977 -10.342 3.544
228 1H5* A 22 1H5* A 22 -26.276 -3.402 0.813
229 2H5* A 22 2H5* A 22 -25.478 -2.086 1.715
230 H4* A 22 H4* A 22 -26.764 -3.539 3.216
231 H3* A 22 H3* A 22 -23.759 -3.729 3.510
232 H2* A 22 H2* A 22 -24.082 -5.225 5.365
233 2HO* A 22 2HO* A 22 -25.949 -4.147 6.271
234 H1* A 22 H1* A 22 -25.967 -6.719 4.098
235 H8 A 22 H8 A 22 -23.462 -5.535 1.516
236 1H6 A 22 1H6 A 22 -20.043 -10.432 3.027
237 2H6 A 22 2H6 A 22 -20.240 -9.108 1.902
238 H2 A 22 H2 A 22 -23.366 -10.096 5.984
239 1H5* C 23 1H5* C 23 -21.466 -2.712 6.344
240 2H5* C 23 2H5* C 23 -22.236 -3.036 4.773
241 H4* C 23 H4* C 23 -22.042 -5.404 6.467
242 H3* C 23 H3* C 23 -19.506 -3.963 5.685
243 H2* C 23 H2* C 23 -18.500 -6.070 5.168
244 2HO* C 23 2HO* C 23 -19.594 -8.014 5.642
245 H1* C 23 H1* C 23 -20.639 -7.003 3.780
246 1H4 C 23 1H4 C 23 -17.109 -3.941 -0.552
247 2H4 C 23 2H4 C 23 -17.926 -2.438 -0.178
248 H5 C 23 H5 C 23 -19.544 -2.225 1.658
249 H6 C 23 H6 C 23 -20.680 -3.412 3.442
250 1H5* C 24 1H5* C 24 -18.574 -7.304 8.078
251 2H5* C 24 2H5* C 24 -17.139 -7.051 9.108
252 H4* C 24 H4* C 24 -16.972 -9.022 7.562
253 H3* C 24 H3* C 24 -15.000 -6.764 7.142
254 H2* C 24 H2* C 24 -13.883 -8.170 5.557
255 2HO* C 24 2HO* C 24 -14.550 -10.364 5.314
256 H1* C 24 H1* C 24 -16.257 -9.082 4.427
257 1H4 C 24 1H4 C 24 -14.364 -4.289 0.663
258 2H4 C 24 2H4 C 24 -15.034 -3.120 1.777
259 H5 C 24 H5 C 24 -15.994 -3.740 3.944
260 H6 C 24 H6 C 24 -16.493 -5.587 5.417
261 1H5* G 25 1H5* G 25 -12.609 -10.075 7.456
262 2H5* G 25 2H5* G 25 -11.380 -9.832 8.725
263 H4* G 25 H4* G 25 -10.221 -10.607 6.799
264 H3* G 25 H3* G 25 -9.975 -7.595 6.993
265 H2* G 25 H2* G 25 -8.487 -7.676 5.120
266 2HO* G 25 2HO* G 25 -7.854 -9.728 4.266
267 H1* G 25 H1* G 25 -10.072 -9.407 3.693
268 H8 G 25 H8 G 25 -12.305 -7.052 5.667
269 H1 G 25 H1 G 25 -10.005 -4.467 0.281
270 1H2 G 25 1H2 G 25 -8.448 -5.776 -0.586
271 2H2 G 25 2H2 G 25 -7.977 -7.287 0.158
272 1H5* U 26 1H5* U 26 -6.137 -8.703 6.465
273 2H5* U 26 2H5* U 26 -5.001 -7.751 7.459
274 H4* U 26 H4* U 26 -4.615 -7.579 4.983
275 H3* U 26 H3* U 26 -5.385 -5.036 6.434
276 H2* U 26 H2* U 26 -4.964 -3.856 4.395
277 2HO* U 26 2HO* U 26 -3.944 -4.896 2.644
278 H1* U 26 H1* U 26 -6.119 -5.837 2.796
279 H3 U 26 H3 U 26 -8.819 -2.188 2.413
280 H5 U 26 H5 U 26 -9.864 -3.903 6.117
281 H6 U 26 H6 U 26 -7.987 -5.414 5.871
282 1H5* G 27 1H5* G 27 -1.699 -4.943 4.266
283 2H5* G 27 2H5* G 27 -0.462 -3.831 4.904
284 H4* G 27 H4* G 27 -1.330 -3.715 2.388
285 H3* G 27 H3* G 27 0.177 -1.944 3.890
286 H2* G 27 H2* G 27 -1.676 -0.693 4.684
287 2HO* G 27 2HO* G 27 -1.892 1.188 3.363
288 H1* G 27 H1* G 27 -2.962 -0.865 1.945
289 H8 G 27 H8 G 27 -4.145 -1.925 5.456
290 H1 G 27 H1 G 27 -7.442 2.926 2.896
291 1H2 G 27 1H2 G 27 -6.518 3.568 0.996
292 2H2 G 27 2H2 G 27 -5.087 2.793 0.347
293 1H5* G 28 1H5* G 28 -0.161 -1.052 -1.079
294 2H5* G 28 2H5* G 28 0.554 -2.412 -1.973
295 H4* G 28 H4* G 28 1.404 -0.483 -3.014
296 H3* G 28 H3* G 28 3.400 -1.578 -1.036
297 H2* G 28 H2* G 28 4.907 0.191 -1.540
298 2HO* G 28 2HO* G 28 4.554 0.295 -3.814
299 H1* G 28 H1* G 28 3.072 2.156 -1.434
300 H8 G 28 H8 G 28 1.854 -0.289 1.140
301 H1 G 28 H1 G 28 6.879 3.121 3.145
302 1H2 G 28 1H2 G 28 7.779 4.226 1.453
303 2H2 G 28 2H2 G 28 7.148 4.116 -0.174
304 1H5* U 29 1H5* U 29 5.847 -1.414 -4.903
305 2H5* U 29 2H5* U 29 7.159 -2.596 -4.636
306 H4* U 29 H4* U 29 7.716 -0.048 -4.940
307 H3* U 29 H3* U 29 8.885 -1.731 -2.711
308 H2* U 29 H2* U 29 10.199 0.165 -2.096
309 2HO* U 29 2HO* U 29 10.398 1.950 -3.472
310 H1* U 29 H1* U 29 8.141 2.006 -2.653
311 H3 U 29 H3 U 29 9.333 1.837 1.902
312 H5 U 29 H5 U 29 6.231 -0.959 1.322
313 H6 U 29 H6 U 29 6.482 -0.646 -1.050
314 1H5* C 30 1H5* C 30 12.190 0.178 -4.375
315 2H5* C 30 2H5* C 30 13.599 -0.917 -4.391
316 H4* C 30 H4* C 30 13.937 1.203 -3.079
317 H3* C 30 H3* C 30 14.083 -1.430 -1.602
318 H2* C 30 H2* C 30 14.685 -0.251 0.374
319 2HO* C 30 2HO* C 30 15.209 2.004 0.248
320 H1* C 30 H1* C 30 12.959 1.900 -0.115
321 1H4 C 30 1H4 C 30 10.015 -1.843 4.154
322 2H4 C 30 2H4 C 30 9.289 -2.749 2.846
323 H5 C 30 H5 C 30 9.862 -2.390 0.490
324 H6 C 30 H6 C 30 11.229 -1.096 -1.024
325 1H5* C 31 1H5* C 31 17.917 0.289 -0.369
326 2H5* C 31 2H5* C 31 19.089 -0.944 -0.910
327 H4* C 31 H4* C 31 19.607 -0.501 1.369
328 H3* C 31 H3* C 31 17.901 -3.000 1.207
329 H2* C 31 H2* C 31 18.303 -3.292 3.558
330 2HO* C 31 2HO* C 31 19.688 -1.765 4.638
331 H1* C 31 H1* C 31 17.754 -0.659 4.132
332 1H4 C 31 1H4 C 31 12.090 -3.542 4.580
333 2H4 C 31 2H4 C 31 11.916 -3.537 2.841
334 H5 C 31 H5 C 31 13.676 -2.759 1.325
335 H6 C 31 H6 C 31 15.913 -1.855 1.224
336 1H5* U 32 1H5* U 32 20.925 -5.185 3.459
337 2H5* U 32 2H5* U 32 21.505 -6.220 2.133
338 H4* U 32 H4* U 32 21.055 -7.699 3.905
339 H3* U 32 H3* U 32 18.614 -7.657 2.116
340 H2* U 32 H2* U 32 17.751 -9.427 3.451
341 2HO* U 32 2HO* U 32 19.036 -10.370 5.088
342 H1* U 32 H1* U 32 18.392 -8.233 5.792
343 H3 U 32 H3 U 32 13.902 -8.184 4.706
344 H5 U 32 H5 U 32 15.488 -4.474 3.600
345 H6 U 32 H6 U 32 17.714 -5.388 3.946
346 1H5* C 33 1H5* C 33 19.687 -11.754 2.852
347 2H5* C 33 2H5* C 33 19.167 -12.768 1.484
348 H4* C 33 H4* C 33 18.194 -13.324 3.794
349 H3* C 33 H3* C 33 16.309 -12.737 1.496
350 H2* C 33 H2* C 33 14.535 -13.424 2.942
351 2HO* C 33 2HO* C 33 15.001 -14.291 5.008
352 H1* C 33 H1* C 33 15.487 -12.006 5.098
353 1H4 C 33 1H4 C 33 11.329 -8.215 2.062
354 2H4 C 33 2H4 C 33 12.649 -7.503 1.157
355 H5 C 33 H5 C 33 14.961 -8.350 1.274
356 H6 C 33 H6 C 33 16.379 -10.029 2.275
357 1H5* C 34 1H5* C 34 15.185 -16.408 3.479
358 2H5* C 34 2H5* C 34 14.581 -17.548 2.255
359 H4* C 34 H4* C 34 13.033 -17.066 4.220
360 H3* C 34 H3* C 34 12.068 -16.546 1.396
361 H2* C 34 H2* C 34 9.903 -16.088 2.306
362 2HO* C 34 2HO* C 34 10.041 -17.841 3.917
363 H1* C 34 H1* C 34 10.894 -14.622 4.452
364 1H4 C 34 1H4 C 34 9.367 -10.474 -0.189
365 2H4 C 34 2H4 C 34 11.032 -10.489 -0.728
366 H5 C 34 H5 C 34 12.721 -12.023 0.194
367 H6 C 34 H6 C 34 13.095 -13.793 1.790
Start of MODEL 20
1 1H5* G 1 1H5* G 1 -2.686 -7.955 2.356
2 2H5* G 1 2H5* G 1 -1.456 -8.379 1.166
3 H4* G 1 H4* G 1 -2.793 -10.322 3.063
4 H3* G 1 H3* G 1 -0.056 -9.031 3.152
5 H2* G 1 H2* G 1 0.771 -11.025 4.174
6 2HO* G 1 2HO* G 1 -0.623 -12.641 4.884
7 H1* G 1 H1* G 1 -0.521 -12.699 2.446
8 H8 G 1 H8 G 1 0.515 -9.753 0.377
9 H1 G 1 H1 G 1 5.427 -13.605 1.762
10 1H2 G 1 1H2 G 1 4.845 -15.056 3.322
11 2H2 G 1 2H2 G 1 3.238 -15.088 4.015
12 1H5* G 2 1H5* G 2 -0.566 -10.591 7.192
13 2H5* G 2 2H5* G 2 0.276 -9.471 8.297
14 H4* G 2 H4* G 2 1.061 -11.915 8.272
15 H3* G 2 H3* G 2 3.045 -9.686 7.743
16 H2* G 2 H2* G 2 4.767 -11.341 7.769
17 2HO* G 2 2HO* G 2 4.306 -13.479 8.439
18 H1* G 2 H1* G 2 3.260 -13.206 6.348
19 H8 G 2 H8 G 2 2.540 -10.165 4.425
20 H1 G 2 H1 G 2 8.650 -11.900 3.703
21 1H2 G 2 1H2 G 2 9.218 -13.380 5.244
22 2H2 G 2 2H2 G 2 8.086 -13.951 6.451
23 1H5* A 3 1H5* A 3 4.867 -11.791 11.270
24 2H5* A 3 2H5* A 3 5.147 -10.439 12.400
25 H4* A 3 H4* A 3 7.168 -11.757 12.247
26 H3* A 3 H3* A 3 7.398 -9.178 10.676
27 H2* A 3 H2* A 3 9.728 -9.713 10.344
28 2HO* A 3 2HO* A 3 10.577 -11.622 11.326
29 H1* A 3 H1* A 3 9.178 -12.278 9.578
30 H8 A 3 H8 A 3 6.245 -10.284 8.353
31 1H6 A 3 1H6 A 3 9.770 -8.512 3.597
32 2H6 A 3 2H6 A 3 8.147 -8.552 4.246
33 H2 A 3 H2 A 3 12.389 -10.543 6.624
34 1H5* G 4 1H5* G 4 10.695 -9.051 13.215
35 2H5* G 4 2H5* G 4 10.903 -7.439 13.941
36 H4* G 4 H4* G 4 12.962 -8.201 12.837
37 H3* G 4 H3* G 4 11.572 -5.926 11.396
38 H2* G 4 H2* G 4 13.496 -5.814 9.956
39 2HO* G 4 2HO* G 4 15.125 -6.274 11.533
40 H1* G 4 H1* G 4 13.544 -8.522 9.558
41 H8 G 4 H8 G 4 9.911 -7.707 9.898
42 H1 G 4 H1 G 4 12.326 -5.878 4.273
43 1H2 G 4 1H2 G 4 14.535 -5.983 4.318
44 2H2 G 4 2H2 G 4 15.410 -6.517 5.734
45 1H5* G 5 1H5* G 5 15.553 -4.055 11.982
46 2H5* G 5 2H5* G 5 15.139 -2.399 12.499
47 H4* G 5 H4* G 5 16.644 -2.536 10.482
48 H3* G 5 H3* G 5 13.935 -1.225 10.127
49 H2* G 5 H2* G 5 14.623 -0.610 7.910
50 2HO* G 5 2HO* G 5 16.777 -1.037 7.234
51 H1* G 5 H1* G 5 15.654 -3.095 7.349
52 H8 G 5 H8 G 5 12.672 -3.897 9.439
53 H1 G 5 H1 G 5 11.032 -1.880 3.595
54 1H2 G 5 1H2 G 5 12.785 -1.011 2.560
55 2H2 G 5 2H2 G 5 14.358 -0.919 3.319
56 1H5* A 6 1H5* A 6 17.051 1.707 8.725
57 2H5* A 6 2H5* A 6 16.359 3.324 9.027
58 H4* A 6 H4* A 6 17.063 2.678 6.602
59 H3* A 6 H3* A 6 14.330 3.830 7.222
60 H2* A 6 H2* A 6 13.931 3.901 4.867
61 2HO* A 6 2HO* A 6 15.630 3.423 3.401
62 H1* A 6 H1* A 6 15.043 1.421 4.404
63 H8 A 6 H8 A 6 13.071 1.095 7.589
64 1H6 A 6 1H6 A 6 8.011 0.570 4.081
65 2H6 A 6 2H6 A 6 8.662 0.403 5.693
66 H2 A 6 H2 A 6 11.405 1.891 1.463
67 1H5* C 7 1H5* C 7 15.910 5.958 3.946
68 2H5* C 7 2H5* C 7 15.386 7.661 3.994
69 H4* C 7 H4* C 7 14.734 6.341 1.917
70 H3* C 7 H3* C 7 12.556 7.589 3.596
71 H2* C 7 H2* C 7 10.993 6.962 1.888
72 2HO* C 7 2HO* C 7 11.749 6.140 -0.106
73 H1* C 7 H1* C 7 12.161 4.462 1.514
74 1H4 C 7 1H4 C 7 7.257 3.624 5.518
75 2H4 C 7 2H4 C 7 8.329 3.882 6.878
76 H5 C 7 H5 C 7 10.674 4.584 6.617
77 H6 C 7 H6 C 7 12.382 5.153 4.999
78 1H5* A 8 1H5* A 8 10.230 11.324 1.096
79 2H5* A 8 2H5* A 8 9.676 10.132 2.302
80 H4* A 8 H4* A 8 9.337 10.031 -0.705
81 H3* A 8 H3* A 8 7.462 10.460 1.593
82 H2* A 8 H2* A 8 5.810 8.968 0.762
83 2HO* A 8 2HO* A 8 6.016 8.078 -1.354
84 H1* A 8 H1* A 8 7.436 6.971 0.082
85 H8 A 8 H8 A 8 9.587 7.906 2.792
86 1H6 A 8 1H6 A 8 5.301 6.165 6.902
87 2H6 A 8 2H6 A 8 6.984 6.582 6.674
88 H2 A 8 H2 A 8 3.343 6.519 2.892
89 1H5* U 9 1H5* U 9 4.856 10.159 -0.650
90 2H5* U 9 2H5* U 9 4.097 11.662 -1.239
91 H4* U 9 H4* U 9 2.352 10.130 -0.709
92 H3* U 9 H3* U 9 2.676 12.475 1.047
93 H2* U 9 H2* U 9 1.819 11.591 2.922
94 2HO* U 9 2HO* U 9 -0.071 10.175 1.348
95 H1* U 9 H1* U 9 1.633 8.793 2.277
96 H3 U 9 H3 U 9 2.869 9.125 6.635
97 H5 U 9 H5 U 9 6.322 10.041 4.439
98 H6 U 9 H6 U 9 5.021 10.036 2.454
99 1H5* U 10 1H5* U 10 0.460 15.552 1.770
100 2H5* U 10 2H5* U 10 0.560 14.714 3.336
101 H4* U 10 H4* U 10 -2.009 15.279 1.827
102 H3* U 10 H3* U 10 -0.863 17.357 2.939
103 H2* U 10 H2* U 10 -0.040 16.321 4.917
104 2HO* U 10 2HO* U 10 -1.354 18.064 5.648
105 H1* U 10 H1* U 10 -2.489 14.828 5.680
106 H3 U 10 H3 U 10 1.518 13.467 7.977
107 H5 U 10 H5 U 10 0.950 11.210 4.454
108 H6 U 10 H6 U 10 -0.734 12.693 3.838
109 1H5* C 11 1H5* C 11 -6.035 18.205 3.640
110 2H5* C 11 2H5* C 11 -5.220 16.627 3.825
111 H4* C 11 H4* C 11 -7.744 17.300 2.314
112 H3* C 11 H3* C 11 -7.526 16.141 4.795
113 H2* C 11 H2* C 11 -6.176 14.318 4.048
114 2HO* C 11 2HO* C 11 -8.841 13.391 3.741
115 H1* C 11 H1* C 11 -8.020 14.027 1.663
116 1H4 C 11 1H4 C 11 -3.508 10.162 -0.602
117 2H4 C 11 2H4 C 11 -2.324 10.778 0.527
118 H5 C 11 H5 C 11 -2.824 12.565 2.128
119 H6 C 11 H6 C 11 -4.523 14.081 2.926
120 1H5* C 12 1H5* C 12 -10.608 12.662 3.772
121 2H5* C 12 2H5* C 12 -11.816 13.969 3.634
122 H4* C 12 H4* C 12 -12.910 12.037 4.554
123 H3* C 12 H3* C 12 -13.161 14.392 5.877
124 H2* C 12 H2* C 12 -11.259 14.050 7.299
125 2HO* C 12 2HO* C 12 -13.444 12.958 8.754
126 H1* C 12 H1* C 12 -12.179 11.224 7.877
127 1H4 C 12 1H4 C 12 -6.349 11.152 10.480
128 2H4 C 12 2H4 C 12 -5.624 11.546 8.941
129 H5 C 12 H5 C 12 -6.949 12.045 6.929
130 H6 C 12 H6 C 12 -9.193 12.250 6.059
131 1H5* U 13 1H5* U 13 -15.983 9.403 5.630
132 2H5* U 13 2H5* U 13 -14.569 10.355 6.144
133 H4* U 13 H4* U 13 -14.754 11.092 3.556
134 H3* U 13 H3* U 13 -16.536 9.172 3.211
135 H2* U 13 H2* U 13 -15.320 7.646 4.690
136 2HO* U 13 2HO* U 13 -14.665 6.867 2.030
137 H1* U 13 H1* U 13 -12.920 8.062 2.904
138 H3 U 13 H3 U 13 -11.046 4.808 5.602
139 H5 U 13 H5 U 13 -11.956 8.043 8.158
140 H6 U 13 H6 U 13 -13.110 9.074 6.341
141 1H5* C 14 1H5* C 14 -12.768 10.597 1.888
142 2H5* C 14 2H5* C 14 -12.709 12.259 1.253
143 H4* C 14 H4* C 14 -11.393 11.505 -0.669
144 H3* C 14 H3* C 14 -11.749 8.744 0.509
145 H2* C 14 H2* C 14 -9.533 8.147 -0.135
146 2HO* C 14 2HO* C 14 -8.289 9.744 -1.381
147 H1* C 14 H1* C 14 -8.371 10.487 0.630
148 1H4 C 14 1H4 C 14 -8.059 6.458 5.596
149 2H4 C 14 2H4 C 14 -9.389 7.323 6.317
150 H5 C 14 H5 C 14 -10.616 9.084 5.144
151 H6 C 14 H6 C 14 -10.808 10.299 3.073
152 1H5* A 15 1H5* A 15 -9.537 7.922 -2.935
153 2H5* A 15 2H5* A 15 -10.275 6.504 -3.714
154 H4* A 15 H4* A 15 -7.779 6.411 -2.877
155 H3* A 15 H3* A 15 -9.833 4.242 -2.455
156 H2* A 15 H2* A 15 -8.239 2.915 -1.241
157 2HO* A 15 2HO* A 15 -6.049 3.571 -1.143
158 H1* A 15 H1* A 15 -7.324 4.962 0.290
159 H8 A 15 H8 A 15 -10.962 5.183 -0.762
160 1H6 A 15 1H6 A 15 -12.189 2.328 4.641
161 2H6 A 15 2H6 A 15 -12.920 3.102 3.251
162 H2 A 15 H2 A 15 -7.734 2.526 4.017
163 1H5* C 16 1H5* C 16 -6.430 2.289 -4.058
164 2H5* C 16 2H5* C 16 -6.868 0.979 -5.189
165 H4* C 16 H4* C 16 -5.447 0.307 -3.197
166 H3* C 16 H3* C 16 -8.144 -1.000 -3.613
167 H2* C 16 H2* C 16 -7.631 -2.462 -1.784
168 2HO* C 16 2HO* C 16 -5.036 -1.248 -1.844
169 H1* C 16 H1* C 16 -6.663 -0.435 -0.195
170 1H4 C 16 1H4 C 16 -12.899 -1.125 1.114
171 2H4 C 16 2H4 C 16 -13.222 0.286 0.131
172 H5 C 16 H5 C 16 -11.498 1.384 -1.226
173 H6 C 16 H6 C 16 -9.175 1.321 -1.875
174 1H5* G 17 1H5* G 17 -5.166 -3.936 -3.105
175 2H5* G 17 2H5* G 17 -5.335 -5.267 -4.277
176 H4* G 17 H4* G 17 -5.077 -6.092 -1.969
177 H3* G 17 H3* G 17 -7.796 -6.553 -3.212
178 H2* G 17 H2* G 17 -8.397 -7.825 -1.262
179 2HO* G 17 2HO* G 17 -6.835 -8.299 0.321
180 H1* G 17 H1* G 17 -7.392 -5.965 0.484
181 H8 G 17 H8 G 17 -8.737 -3.979 -2.410
182 H1 G 17 H1 G 17 -13.343 -6.148 1.460
183 1H2 G 17 1H2 G 17 -12.522 -7.645 2.867
184 2H2 G 17 2H2 G 17 -10.833 -8.099 2.858
185 1H5* G 18 1H5* G 18 -6.713 -10.212 -1.780
186 2H5* G 18 2H5* G 18 -7.035 -11.526 -2.942
187 H4* G 18 H4* G 18 -8.092 -11.894 -0.719
188 H3* G 18 H3* G 18 -9.985 -11.455 -3.040
189 H2* G 18 H2* G 18 -11.788 -11.977 -1.566
190 2HO* G 18 2HO* G 18 -10.745 -13.770 -0.505
191 H1* G 18 H1* G 18 -10.648 -10.604 0.602
192 H8 G 18 H8 G 18 -10.311 -8.514 -2.531
193 H1 G 18 H1 G 18 -16.126 -8.177 0.132
194 1H2 G 18 1H2 G 18 -16.332 -9.715 1.706
195 2H2 G 18 2H2 G 18 -15.040 -10.827 2.100
196 1H5* G 19 1H5* G 19 -12.229 -15.595 -4.802
197 2H5* G 19 2H5* G 19 -12.449 -13.848 -5.093
198 H4* G 19 H4* G 19 -13.820 -15.525 -2.968
199 H3* G 19 H3* G 19 -14.843 -14.192 -5.487
200 H2* G 19 H2* G 19 -16.961 -13.920 -4.403
201 2HO* G 19 2HO* G 19 -17.185 -14.798 -2.222
202 H1* G 19 H1* G 19 -15.844 -13.040 -2.047
203 H8 G 19 H8 G 19 -14.263 -12.083 -5.467
204 H1 G 19 H1 G 19 -18.237 -7.741 -2.961
205 1H2 G 19 1H2 G 19 -19.159 -8.525 -1.124
206 2H2 G 19 2H2 G 19 -18.795 -10.118 -0.502
207 1H5* U 20 1H5* U 20 -16.496 -14.688 -8.145
208 2H5* U 20 2H5* U 20 -16.798 -14.987 -6.417
209 H4* U 20 H4* U 20 -18.309 -16.125 -8.782
210 H3* U 20 H3* U 20 -19.119 -14.365 -6.452
211 H2* U 20 H2* U 20 -21.318 -15.253 -6.631
212 2HO* U 20 2HO* U 20 -21.882 -16.548 -8.473
213 H1* U 20 H1* U 20 -20.424 -17.850 -7.268
214 H3 U 20 H3 U 20 -22.131 -18.882 -3.262
215 H5 U 20 H5 U 20 -19.282 -15.937 -2.318
216 H6 U 20 H6 U 20 -18.852 -15.681 -4.698
217 1H5* G 21 1H5* G 21 -20.729 -10.233 -6.230
218 2H5* G 21 2H5* G 21 -19.797 -11.454 -5.320
219 H4* G 21 H4* G 21 -22.813 -11.446 -5.635
220 H3* G 21 H3* G 21 -21.065 -10.490 -3.364
221 H2* G 21 H2* G 21 -22.686 -11.300 -1.808
222 2HO* G 21 2HO* G 21 -24.584 -10.702 -2.990
223 H1* G 21 H1* G 21 -23.033 -13.682 -3.028
224 H8 G 21 H8 G 21 -19.438 -12.390 -3.368
225 H1 G 21 H1 G 21 -20.541 -15.784 1.933
226 1H2 G 21 1H2 G 21 -22.701 -16.221 2.129
227 2H2 G 21 2H2 G 21 -23.872 -15.672 0.953
228 1H5* A 22 1H5* A 22 -24.864 -8.439 -2.619
229 2H5* A 22 2H5* A 22 -24.636 -7.082 -1.483
230 H4* A 22 H4* A 22 -25.978 -9.066 -0.617
231 H3* A 22 H3* A 22 -23.467 -8.249 0.856
232 H2* A 22 H2* A 22 -24.101 -9.827 2.569
233 2HO* A 22 2HO* A 22 -26.420 -9.466 2.391
234 H1* A 22 H1* A 22 -24.589 -11.796 0.727
235 H8 A 22 H8 A 22 -21.787 -9.898 -0.821
236 1H6 A 22 1H6 A 22 -17.900 -12.745 3.020
237 2H6 A 22 2H6 A 22 -18.036 -11.745 1.592
238 H2 A 22 H2 A 22 -22.060 -13.532 4.427
239 1H5* C 23 1H5* C 23 -24.591 -7.886 3.511
240 2H5* C 23 2H5* C 23 -24.069 -6.645 4.675
241 H4* C 23 H4* C 23 -22.832 -8.878 4.722
242 H3* C 23 H3* C 23 -21.265 -6.332 4.264
243 H2* C 23 H2* C 23 -19.276 -7.655 4.485
244 2HO* C 23 2HO* C 23 -19.403 -9.823 5.150
245 H1* C 23 H1* C 23 -20.275 -9.707 2.909
246 1H4 C 23 1H4 C 23 -16.906 -5.909 -0.963
247 2H4 C 23 2H4 C 23 -18.336 -4.945 -1.269
248 H5 C 23 H5 C 23 -20.459 -5.296 -0.079
249 H6 C 23 H6 C 23 -21.590 -6.641 1.590
250 1H5* C 24 1H5* C 24 -19.686 -8.342 7.659
251 2H5* C 24 2H5* C 24 -19.044 -7.208 8.877
252 H4* C 24 H4* C 24 -17.381 -8.904 8.110
253 H3* C 24 H3* C 24 -16.758 -6.029 7.385
254 H2* C 24 H2* C 24 -14.608 -6.814 6.666
255 2HO* C 24 2HO* C 24 -15.383 -9.350 7.747
256 H1* C 24 H1* C 24 -15.676 -9.067 5.423
257 1H4 C 24 1H4 C 24 -15.009 -4.734 0.788
258 2H4 C 24 2H4 C 24 -16.464 -3.912 1.304
259 H5 C 24 H5 C 24 -17.725 -4.568 3.306
260 H6 C 24 H6 C 24 -17.815 -6.118 5.152
261 1H5* G 25 1H5* G 25 -13.603 -7.758 9.649
262 2H5* G 25 2H5* G 25 -12.718 -6.582 10.653
263 H4* G 25 H4* G 25 -11.301 -7.943 9.062
264 H3* G 25 H3* G 25 -11.325 -4.932 8.750
265 H2* G 25 H2* G 25 -9.594 -5.186 7.110
266 2HO* G 25 2HO* G 25 -8.711 -7.274 6.708
267 H1* G 25 H1* G 25 -10.864 -7.242 5.824
268 H8 G 25 H8 G 25 -13.716 -5.096 6.884
269 H1 G 25 H1 G 25 -10.350 -2.429 2.131
270 1H2 G 25 1H2 G 25 -8.434 -3.504 1.866
271 2H2 G 25 2H2 G 25 -7.986 -4.875 2.854
272 1H5* U 26 1H5* U 26 -7.429 -5.776 8.684
273 2H5* U 26 2H5* U 26 -6.431 -4.590 9.566
274 H4* U 26 H4* U 26 -6.005 -4.880 7.043
275 H3* U 26 H3* U 26 -6.563 -2.160 8.239
276 H2* U 26 H2* U 26 -6.192 -1.185 6.097
277 2HO* U 26 2HO* U 26 -5.277 -2.384 4.408
278 H1* U 26 H1* U 26 -7.503 -3.203 4.697
279 H3 U 26 H3 U 26 -9.613 0.994 4.664
280 H5 U 26 H5 U 26 -11.527 -1.417 7.546
281 H6 U 26 H6 U 26 -9.714 -3.004 7.328
282 1H5* G 27 1H5* G 27 -2.922 -2.642 5.932
283 2H5* G 27 2H5* G 27 -1.638 -1.442 6.231
284 H4* G 27 H4* G 27 -3.099 -1.828 3.864
285 H3* G 27 H3* G 27 -0.792 -0.486 4.428
286 H2* G 27 H2* G 27 -1.891 1.367 5.472
287 2HO* G 27 2HO* G 27 -0.588 2.288 3.884
288 H1* G 27 H1* G 27 -3.876 1.385 3.185
289 H8 G 27 H8 G 27 -4.076 1.312 7.049
290 H1 G 27 H1 G 27 -6.846 6.359 4.269
291 1H2 G 27 1H2 G 27 -6.506 6.320 2.084
292 2H2 G 27 2H2 G 27 -5.609 5.032 1.309
293 1H5* G 28 1H5* G 28 -1.763 2.699 0.201
294 2H5* G 28 2H5* G 28 -1.502 1.053 -0.428
295 H4* G 28 H4* G 28 -0.355 2.659 -1.834
296 H3* G 28 H3* G 28 1.484 1.007 -0.104
297 H2* G 28 H2* G 28 3.359 2.086 -1.101
298 2HO* G 28 2HO* G 28 3.074 3.518 -2.847
299 H1* G 28 H1* G 28 2.359 4.576 -0.849
300 H8 G 28 H8 G 28 0.967 2.804 2.149
301 H1 G 28 H1 G 28 7.161 4.244 2.766
302 1H2 G 28 1H2 G 28 7.996 4.878 0.824
303 2H2 G 28 2H2 G 28 7.025 4.950 -0.629
304 1H5* U 29 1H5* U 29 2.836 0.523 -4.182
305 2H5* U 29 2H5* U 29 3.449 -1.130 -4.468
306 H4* U 29 H4* U 29 5.084 0.684 -5.019
307 H3* U 29 H3* U 29 5.834 -1.191 -2.762
308 H2* U 29 H2* U 29 7.961 -0.136 -2.729
309 2HO* U 29 2HO* U 29 7.156 1.111 -5.173
310 H1* U 29 H1* U 29 6.920 2.412 -3.235
311 H3 U 29 H3 U 29 8.926 2.170 0.987
312 H5 U 29 H5 U 29 4.966 0.810 1.483
313 H6 U 29 H6 U 29 4.731 0.824 -0.914
314 1H5* C 30 1H5* C 30 9.131 -1.125 -5.442
315 2H5* C 30 2H5* C 30 10.017 -2.672 -5.363
316 H4* C 30 H4* C 30 11.232 -0.482 -4.647
317 H3* C 30 H3* C 30 11.209 -2.977 -2.943
318 H2* C 30 H2* C 30 12.632 -1.880 -1.378
319 2HO* C 30 2HO* C 30 13.611 0.121 -1.903
320 H1* C 30 H1* C 30 11.344 0.576 -1.572
321 1H4 C 30 1H4 C 30 9.059 -2.502 3.589
322 2H4 C 30 2H4 C 30 7.631 -2.887 2.657
323 H5 C 30 H5 C 30 7.434 -2.423 0.263
324 H6 C 30 H6 C 30 8.574 -1.520 -1.661
325 1H5* C 31 1H5* C 31 15.239 -2.022 -2.790
326 2H5* C 31 2H5* C 31 16.136 -3.398 -3.487
327 H4* C 31 H4* C 31 17.184 -2.895 -1.408
328 H3* C 31 H3* C 31 15.296 -5.239 -1.077
329 H2* C 31 H2* C 31 16.091 -5.469 1.173
330 2HO* C 31 2HO* C 31 17.798 -4.080 1.903
331 H1* C 31 H1* C 31 15.910 -2.788 1.704
332 1H4 C 31 1H4 C 31 10.232 -5.207 3.314
333 2H4 C 31 2H4 C 31 9.658 -4.974 1.680
334 H5 C 31 H5 C 31 11.112 -4.217 -0.146
335 H6 C 31 H6 C 31 13.364 -3.551 -0.706
336 1H5* U 32 1H5* U 32 18.236 -6.893 0.989
337 2H5* U 32 2H5* U 32 18.871 -8.221 -0.012
338 H4* U 32 H4* U 32 18.569 -9.184 2.105
339 H3* U 32 H3* U 32 16.086 -9.762 0.479
340 H2* U 32 H2* U 32 15.329 -11.108 2.284
341 2HO* U 32 2HO* U 32 16.694 -11.499 4.080
342 H1* U 32 H1* U 32 15.953 -9.301 4.187
343 H3 U 32 H3 U 32 11.466 -9.391 3.676
344 H5 U 32 H5 U 32 12.801 -6.662 0.793
345 H6 U 32 H6 U 32 15.100 -7.364 1.286
346 1H5* C 33 1H5* C 33 17.407 -13.388 2.318
347 2H5* C 33 2H5* C 33 16.963 -14.791 1.313
348 H4* C 33 H4* C 33 16.035 -14.809 3.665
349 H3* C 33 H3* C 33 14.039 -14.778 1.386
350 H2* C 33 H2* C 33 12.349 -15.153 3.033
351 2HO* C 33 2HO* C 33 14.514 -15.432 4.883
352 H1* C 33 H1* C 33 13.371 -13.288 4.778
353 1H4 C 33 1H4 C 33 8.964 -10.266 1.277
354 2H4 C 33 2H4 C 33 10.167 -9.892 0.061
355 H5 C 33 H5 C 33 12.473 -10.755 0.152
356 H6 C 33 H6 C 33 13.999 -12.134 1.420
357 1H5* C 34 1H5* C 34 13.032 -17.923 4.144
358 2H5* C 34 2H5* C 34 12.435 -19.313 3.211
359 H4* C 34 H4* C 34 10.888 -18.485 5.029
360 H3* C 34 H3* C 34 9.892 -18.446 2.169
361 H2* C 34 H2* C 34 7.740 -17.835 3.014
362 2HO* C 34 2HO* C 34 7.363 -17.852 5.292
363 H1* C 34 H1* C 34 8.771 -16.061 4.904
364 1H4 C 34 1H4 C 34 7.104 -12.588 -0.200
365 2H4 C 34 2H4 C 34 8.715 -12.784 -0.858
366 H5 C 34 H5 C 34 10.409 -14.248 0.167
367 H6 C 34 H6 C 34 10.842 -15.763 1.996
Contact the webmaster for help, if required. Saturday, May 18, 2024 7:07:55 PM GMT (wattos1)