NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12436 |
1syz   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 1H5* G 1 -7.426 -13.001 7.665
2 2H5* G 1 2H5* G 1 -6.498 -11.492 7.794
3 H4* G 1 H4* G 1 -5.238 -13.258 8.871
4 H3* G 1 H3* G 1 -4.206 -12.203 6.232
5 H2* G 1 H2* G 1 -2.440 -13.769 6.212
6 2HO* G 1 2HO G 1 -2.736 -13.557 8.929
7 H1* G 1 H1* G 1 -3.768 -15.943 7.204
8 H8 G 1 8H G 1 -6.109 -14.276 4.814
9 H1 G 1 1H G 1 -1.409 -17.360 1.798
10 1H2 G 1 1H2 G 1 0.131 -18.005 3.274
11 2H2 G 1 2H2 G 1 0.059 -17.550 4.959
12 H5T G 1 H5T G 1 -7.452 -12.046 5.681
13 1H5* G 2 1H5* G 2 -0.730 -11.963 9.007
14 2H5* G 2 2H5* G 2 -0.168 -10.280 8.980
15 H4* G 2 H4* G 2 1.749 -11.708 8.639
16 H3* G 2 H3* G 2 0.740 -10.142 6.264
17 H2* G 2 H2* G 2 2.327 -11.139 4.822
18 2HO* G 2 2HO G 2 4.000 -12.563 5.855
19 H1* G 2 H1* G 2 2.167 -13.699 5.715
20 H8 G 2 8H G 2 -1.222 -12.000 5.822
21 H1 G 2 1H G 2 0.285 -14.182 0.025
22 1H2 G 2 1H2 G 2 2.377 -14.940 0.022
23 2H2 G 2 2H2 G 2 3.474 -14.630 1.351
24 1H5* U 3 1H5* U 3 4.985 -9.979 6.471
25 2H5* U 3 2H5* U 3 5.656 -8.367 6.154
26 H4* U 3 H4* U 3 6.668 -10.073 4.676
27 H3* U 3 H3* U 3 4.958 -7.864 3.501
28 H2* U 3 H2* U 3 5.291 -8.729 1.318
29 2HO* U 3 2HO U 3 7.125 -10.683 2.244
30 H1* U 3 H1* U 3 4.986 -11.376 1.901
31 H3 U 3 3H U 3 1.203 -10.235 -0.308
32 H5 U 3 5H U 3 0.713 -8.520 3.515
33 H6 U 3 6H U 3 2.983 -9.204 4.037
34 1H5* U 4 1H5* U 4 8.360 -7.967 1.065
35 2H5* U 4 2H5* U 4 8.904 -6.331 0.646
36 H4* U 4 H4* U 4 8.325 -7.643 -1.372
37 H3* U 4 H3* U 4 6.598 -5.242 -0.653
38 H2* U 4 H2* U 4 5.349 -5.607 -2.612
39 2HO* U 4 2HO U 4 7.749 -6.769 -3.478
40 H1* U 4 H1* U 4 5.554 -8.409 -2.661
41 H3 U 4 3H U 4 1.124 -7.554 -2.631
42 H5 U 4 5H U 4 2.391 -6.424 1.227
43 H6 U 4 6H U 4 4.681 -6.783 0.509
44 1H5* C 5 1H5* C 5 8.472 -5.033 -4.971
45 2H5* C 5 2H5* C 5 8.930 -3.324 -5.109
46 H4* C 5 H4* C 5 7.783 -4.051 -7.148
47 H3* C 5 H3* C 5 6.351 -2.090 -5.325
48 H2* C 5 H2* C 5 4.519 -2.034 -6.821
49 2HO* C 5 2HO C 5 6.344 -3.187 -8.687
50 H1* C 5 H1* C 5 4.487 -4.702 -7.506
51 1H4 C 5 1H4 C 5 0.058 -3.850 -3.004
52 2H4 C 5 2H4 C 5 1.291 -3.864 -1.761
53 H5 C 5 5H C 5 3.654 -3.913 -2.246
54 H6 C 5 6H C 5 5.334 -3.962 -4.026
55 1H5* C 6 1H5* C 6 6.963 0.199 -9.052
56 2H5* C 6 2H5* C 6 6.552 1.905 -8.786
57 H4* C 6 H4* C 6 4.804 0.395 -9.973
58 H3* C 6 H3* C 6 4.320 2.326 -7.697
59 H2* C 6 H2* C 6 2.045 1.680 -7.547
60 2HO* C 6 2HO C 6 1.012 0.519 -9.194
61 H1* C 6 H1* C 6 2.355 -1.003 -7.836
62 1H4 C 6 1H4 C 6 4.203 0.470 -1.663
63 2H4 C 6 2H4 C 6 2.463 0.316 -1.587
64 H5 C 6 5H C 6 5.452 0.325 -3.718
65 H6 C 6 6H C 6 5.293 0.104 -6.152
66 1H5* C 7 1H5* C 7 1.676 4.105 -11.014
67 2H5* C 7 2H5* C 7 2.076 5.834 -11.025
68 H4* C 7 H4* C 7 -0.318 5.592 -10.687
69 H3* C 7 H3* C 7 1.307 6.455 -8.270
70 H2* C 7 H2* C 7 -0.678 6.594 -7.000
71 2HO* C 7 2HO C 7 -2.025 6.580 -9.522
72 H1* C 7 H1* C 7 -1.997 4.411 -8.110
73 1H4 C 7 1H4 C 7 0.272 2.554 -2.461
74 2H4 C 7 2H4 C 7 1.853 2.303 -3.162
75 H5 C 7 5H C 7 2.448 3.094 -5.365
76 H6 C 7 6H C 7 1.589 4.026 -7.461
77 1H5* C 8 1H5* C 8 -1.906 9.334 -9.003
78 2H5* C 8 2H5* C 8 -1.370 10.995 -8.680
79 H4* C 8 H4* C 8 -3.399 10.423 -7.378
80 H3* C 8 H3* C 8 -0.793 10.954 -5.916
81 H2* C 8 H2* C 8 -1.906 10.646 -3.852
82 2HO* C 8 2HO C 8 -4.263 11.034 -5.404
83 H1* C 8 H1* C 8 -3.508 8.532 -4.602
84 1H4 C 8 1H4 C 8 1.522 6.107 -1.541
85 2H4 C 8 2H4 C 8 2.506 6.271 -2.978
86 H5 C 8 5H C 8 1.748 7.394 -4.973
87 H6 C 8 6H C 8 -0.157 8.490 -6.061
88 1H5* U 9 1H5* U 9 -4.122 12.650 -4.449
89 2H5* U 9 2H5* U 9 -4.076 14.301 -3.801
90 H4* U 9 H4* U 9 -5.048 12.696 -2.177
91 H3* U 9 H3* U 9 -2.387 14.015 -1.508
92 H2* U 9 H2* U 9 -2.443 12.924 0.592
93 2HO* U 9 2HO U 9 -4.313 12.250 1.545
94 H1* U 9 H1* U 9 -3.622 10.545 -0.284
95 H3 U 9 3H U 9 0.396 9.277 1.341
96 H5 U 9 5H U 9 1.356 11.353 -2.196
97 H6 U 9 6H U 9 -0.983 11.976 -2.385
98 1H5* G 10 1H5* G 10 -4.872 15.715 1.658
99 2H5* G 10 2H5* G 10 -4.018 17.139 2.285
100 H4* G 10 H4* G 10 -3.983 15.054 3.766
101 H3* G 10 H3* G 10 -1.569 16.651 2.904
102 H2* G 10 H2* G 10 -0.081 15.124 3.958
103 2HO* G 10 2HO G 10 -0.669 14.114 5.727
104 H1* G 10 H1* G 10 -1.238 12.813 3.166
105 H8 G 10 8H G 10 -1.755 15.136 0.290
106 H1 G 10 1H G 10 4.269 13.096 0.655
107 1H2 G 10 1H2 G 10 4.504 11.846 2.530
108 2H2 G 10 2H2 G 10 3.512 12.270 3.908
109 1H5* C 11 1H5* C 11 -1.739 18.609 7.070
110 2H5* C 11 2H5* C 11 -1.413 20.292 6.610
111 H4* C 11 H4* C 11 0.835 19.946 6.430
112 H3* C 11 H3* C 11 0.008 17.757 4.764
113 H2* C 11 H2* C 11 0.856 15.898 5.830
114 2HO* C 11 2HO C 11 2.969 16.413 5.291
115 H1* C 11 H1* C 11 1.636 16.739 8.350
116 1H4 C 11 1H4 C 11 -3.983 14.076 9.882
117 2H4 C 11 2H4 C 11 -4.053 13.451 8.250
118 H5 C 11 5H C 11 -3.320 15.351 6.646
119 H6 C 11 6H C 11 -1.323 16.664 6.108
120 1H5* A 12 1H5* A 12 3.813 18.709 6.029
121 2H5* A 12 2H5* A 12 5.286 18.871 5.050
122 H4* A 12 H4* A 12 6.172 17.948 6.973
123 H3* A 12 H3* A 12 5.736 16.022 4.836
124 H2* A 12 H2* A 12 4.565 14.486 6.172
125 2HO* A 12 2HO A 12 6.162 13.436 7.723
126 H1* A 12 H1* A 12 5.824 15.675 8.649
127 H8 A 12 8H A 12 2.282 14.784 7.297
128 1H6 A 12 1H6 A 12 0.706 12.582 11.337
129 2H6 A 12 2H6 A 12 1.589 11.849 12.657
130 H2 A 12 2H A 12 5.695 13.724 12.594
131 1H5* U 13 1H5* U 13 8.563 12.538 5.169
132 2H5* U 13 2H5* U 13 7.483 13.596 6.099
133 H4* U 13 H4* U 13 10.521 13.535 6.173
134 H3* U 13 H3* U 13 8.463 12.232 7.726
135 H2* U 13 H2* U 13 8.108 13.965 9.248
136 2HO* U 13 2HO U 13 10.622 13.965 10.312
137 H1* U 13 H1* U 13 10.819 15.175 8.722
138 H3 U 13 3H U 13 8.086 17.375 12.014
139 H5 U 13 5H U 13 7.654 19.215 8.245
140 H6 U 13 6H U 13 8.845 17.338 7.267
141 1H5* A 14 1H5* A 14 9.695 9.974 9.815
142 2H5* A 14 2H5* A 14 9.404 8.366 9.121
143 H4* A 14 H4* A 14 7.568 9.554 10.623
144 H3* A 14 H3* A 14 7.445 7.628 8.412
145 H2* A 14 H2* A 14 5.766 8.735 7.236
146 2HO* A 14 2HO A 14 3.891 8.829 9.190
147 H1* A 14 H1* A 14 5.020 10.440 9.595
148 H8 A 14 8H A 14 6.771 11.533 6.374
149 1H6 A 14 1H6 A 14 3.014 13.541 4.131
150 2H6 A 14 2H6 A 14 1.320 13.693 4.540
151 H2 A 14 2H A 14 0.712 11.479 8.378
152 1H5* A 15 1H5* A 15 3.593 6.900 11.206
153 2H5* A 15 2H5* A 15 3.178 5.202 10.902
154 H4* A 15 H4* A 15 1.282 6.774 10.460
155 H3* A 15 H3* A 15 2.460 5.071 8.239
156 H2* A 15 H2* A 15 0.881 5.954 6.732
157 2HO* A 15 2HO A 15 -0.590 7.102 8.885
158 H1* A 15 H1* A 15 0.763 8.541 7.756
159 H8 A 15 8H A 15 4.254 7.091 7.200
160 1H6 A 15 1H6 A 15 3.820 9.157 1.405
161 2H6 A 15 2H6 A 15 4.908 8.508 2.614
162 H2 A 15 2H A 15 -0.131 9.808 3.415
163 1H5* G 16 1H5* G 16 -1.843 4.865 8.920
164 2H5* G 16 2H5* G 16 -2.540 3.237 8.794
165 H4* G 16 H4* G 16 -3.890 4.914 7.560
166 H3* G 16 H3* G 16 -2.472 2.718 6.019
167 H2* G 16 H2* G 16 -3.351 3.567 4.013
168 2HO* G 16 2HO G 16 -5.160 5.374 5.091
169 H1* G 16 H1* G 16 -3.435 6.291 4.745
170 H8 G 16 8H G 16 -0.150 4.368 5.140
171 H1 G 16 1H G 16 -0.981 6.889 -0.657
172 1H2 G 16 1H2 G 16 -2.950 8.075 -0.628
173 2H2 G 16 2H2 G 16 -4.247 7.356 0.298
174 1H5* G 17 1H5* G 17 -6.574 3.394 5.507
175 2H5* G 17 2H5* G 17 -7.707 2.058 5.214
176 H4* G 17 H4* G 17 -7.976 3.909 3.570
177 H3* G 17 H3* G 17 -7.154 1.128 2.726
178 H2* G 17 H2* G 17 -6.836 1.784 0.502
179 2HO* G 17 2HO G 17 -8.913 3.497 1.151
180 H1* G 17 H1* G 17 -6.110 4.469 0.913
181 H8 G 17 8H G 17 -4.217 1.751 2.807
182 H1 G 17 1H G 17 -1.747 3.133 -2.907
183 1H2 G 17 1H2 G 17 -3.113 4.486 -4.016
184 2H2 G 17 2H2 G 17 -4.661 4.986 -3.374
185 1H5* A 18 1H5* A 18 -8.498 2.469 -0.974
186 2H5* A 18 2H5* A 18 -10.099 1.706 -1.076
187 H4* A 18 H4* A 18 -9.237 0.753 -2.945
188 H3* A 18 H3* A 18 -8.697 -0.935 -0.634
189 H2* A 18 H2* A 18 -6.436 -1.206 -1.087
190 2HO* A 18 2HO A 18 -6.072 -2.752 -2.759
191 H1* A 18 H1* A 18 -6.877 -0.435 -3.987
192 H8 A 18 8H A 18 -4.742 0.218 -0.821
193 1H6 A 18 1H6 A 18 0.115 0.227 -4.613
194 2H6 A 18 2H6 A 18 -0.399 0.290 -2.942
195 H2 A 18 2H A 18 -3.593 -0.284 -7.099
196 1H5* U 19 1H5* U 19 -8.667 -5.587 -2.288
197 2H5* U 19 2H5* U 19 -7.796 -5.516 -3.834
198 H4* U 19 H4* U 19 -9.446 -6.707 -4.784
199 H3* U 19 H3* U 19 -10.927 -4.177 -4.090
200 H2* U 19 H2* U 19 -13.028 -5.198 -4.306
201 2HO* U 19 2HO U 19 -12.286 -6.228 -6.368
202 H1* U 19 H1* U 19 -12.454 -7.683 -3.282
203 H3 U 19 3H U 19 -15.395 -5.254 -0.667
204 H5 U 19 5H U 19 -11.522 -4.398 0.763
205 H6 U 19 6H U 19 -10.623 -5.522 -1.190
206 1H5* G 20 1H5* G 20 -9.233 -2.234 -9.059
207 2H5* G 20 2H5* G 20 -9.854 -3.884 -9.263
208 H4* G 20 H4* G 20 -7.605 -3.534 -10.299
209 H3* G 20 H3* G 20 -8.337 -5.647 -8.391
210 H2* G 20 H2* G 20 -6.380 -5.583 -7.192
211 2HO* G 20 2HO G 20 -4.952 -5.962 -9.613
212 H1* G 20 H1* G 20 -4.943 -3.929 -9.257
213 H8 G 20 8H G 20 -6.248 -2.947 -5.780
214 H1 G 20 1H G 20 0.048 -3.943 -5.993
215 1H2 G 20 1H2 G 20 0.602 -4.815 -7.975
216 2H2 G 20 2H2 G 20 -0.498 -4.745 -9.332
217 1H5* A 21 1H5* A 21 -5.120 -6.858 -11.143
218 2H5* A 21 2H5* A 21 -5.322 -8.508 -11.766
219 H4* A 21 H4* A 21 -3.091 -8.443 -11.006
220 H3* A 21 H3* A 21 -4.868 -9.609 -8.820
221 H2* A 21 H2* A 21 -2.914 -9.953 -7.566
222 2HO* A 21 2HO A 21 -0.811 -9.626 -8.958
223 H1* A 21 H1* A 21 -1.460 -7.763 -8.671
224 H8 A 21 8H A 21 -4.746 -6.967 -6.935
225 1H6 A 21 1H6 A 21 -1.519 -6.564 -1.708
226 2H6 A 21 2H6 A 21 -3.088 -6.328 -2.446
227 H2 A 21 2H A 21 1.208 -8.145 -4.902
228 1H5* A 22 1H5* A 22 -1.589 -12.312 -10.577
229 2H5* A 22 2H5* A 22 -2.045 -14.019 -10.418
230 H4* A 22 H4* A 22 0.283 -13.596 -9.658
231 H3* A 22 H3* A 22 -1.788 -14.507 -7.627
232 H2* A 22 H2* A 22 -0.149 -14.476 -5.956
233 2HO* A 22 2HO A 22 2.010 -14.280 -7.760
234 H1* A 22 H1* A 22 1.464 -12.415 -7.049
235 H8 A 22 8H A 22 -2.199 -11.618 -6.405
236 1H6 A 22 1H6 A 22 -0.520 -10.044 -0.696
237 2H6 A 22 2H6 A 22 -1.818 -10.017 -1.866
238 H2 A 22 2H A 22 3.006 -11.980 -2.718
239 1H5* C 23 1H5* C 23 1.950 -16.946 -8.193
240 2H5* C 23 2H5* C 23 1.723 -18.662 -7.803
241 H4* C 23 H4* C 23 3.739 -17.746 -6.710
242 H3* C 23 H3* C 23 1.413 -18.634 -4.971
243 H2* C 23 H2* C 23 2.708 -18.121 -3.046
244 2HO* C 23 2HO C 23 4.754 -18.731 -4.704
245 H1* C 23 H1* C 23 3.786 -15.766 -3.954
246 1H4 C 23 1H4 C 23 -1.499 -14.592 -0.506
247 2H4 C 23 2H4 C 23 -2.346 -14.316 -2.011
248 H5 C 23 5H C 23 -1.609 -15.797 -3.907
249 H6 C 23 6H C 23 0.398 -16.472 -5.124
250 1H5* C 24 1H5* C 24 4.477 -20.950 -3.326
251 2H5* C 24 2H5* C 24 3.895 -22.595 -2.997
252 H4* C 24 H4* C 24 4.514 -21.432 -0.908
253 H3* C 24 H3* C 24 1.598 -22.066 -1.426
254 H2* C 24 H2* C 24 1.019 -21.200 0.672
255 2HO* C 24 2HO C 24 2.566 -20.807 2.291
256 H1* C 24 H1* C 24 2.772 -19.056 0.642
257 1H4 C 24 1H4 C 24 -2.952 -16.807 -0.970
258 2H4 C 24 2H4 C 24 -2.705 -17.325 -2.625
259 H5 C 24 5H C 24 -0.802 -18.629 -3.332
260 H6 C 24 6H C 24 1.275 -19.707 -2.604
261 H3T C 24 H3T C 24 3.711 -23.139 0.172
Start of MODEL 2
1 1H5* G 1 1H5* G 1 -6.410 -13.851 8.459
2 2H5* G 1 2H5* G 1 -5.423 -12.378 8.531
3 H4* G 1 H4* G 1 -4.090 -14.325 9.202
4 H3* G 1 H3* G 1 -3.428 -12.924 6.598
5 H2* G 1 H2* G 1 -1.692 -14.458 6.173
6 2HO* G 1 2HO G 1 -0.467 -15.059 7.783
7 H1* G 1 H1* G 1 -2.875 -16.734 7.209
8 H8 G 1 8H G 1 -5.394 -14.998 5.068
9 H1 G 1 1H G 1 -0.926 -17.932 1.581
10 1H2 G 1 1H2 G 1 0.842 -18.392 2.889
11 2H2 G 1 2H2 G 1 0.666 -18.462 4.627
12 H5T G 1 H5T G 1 -6.670 -12.512 6.620
13 1H5* G 2 1H5* G 2 0.343 -13.152 9.058
14 2H5* G 2 2H5* G 2 0.905 -11.476 9.209
15 H4* G 2 H4* G 2 2.819 -12.800 8.625
16 H3* G 2 H3* G 2 1.659 -11.089 6.425
17 H2* G 2 H2* G 2 3.187 -11.946 4.838
18 2HO* G 2 2HO G 2 4.945 -13.380 5.648
19 H1* G 2 H1* G 2 3.115 -14.563 5.546
20 H8 G 2 8H G 2 -0.259 -12.836 5.924
21 H1 G 2 1H G 2 0.916 -14.836 -0.015
22 1H2 G 2 1H2 G 2 3.024 -15.505 -0.188
23 2H2 G 2 2H2 G 2 4.125 -15.500 1.172
24 1H5* U 3 1H5* U 3 5.813 -10.901 6.232
25 2H5* U 3 2H5* U 3 6.458 -9.276 5.921
26 H4* U 3 H4* U 3 7.218 -10.902 4.213
27 H3* U 3 H3* U 3 5.397 -8.609 3.419
28 H2* U 3 H2* U 3 5.439 -9.345 1.163
29 2HO* U 3 2HO U 3 7.572 -11.087 1.949
30 H1* U 3 H1* U 3 5.207 -12.030 1.635
31 H3 U 3 3H U 3 1.204 -10.832 -0.088
32 H5 U 3 5H U 3 1.132 -9.263 3.824
33 H6 U 3 6H U 3 3.454 -9.933 4.062
34 1H5* U 4 1H5* U 4 8.660 -8.602 0.638
35 2H5* U 4 2H5* U 4 9.167 -6.944 0.258
36 H4* U 4 H4* U 4 8.488 -8.186 -1.779
37 H3* U 4 H3* U 4 6.822 -5.811 -0.870
38 H2* U 4 H2* U 4 5.421 -6.100 -2.739
39 2HO* U 4 2HO U 4 7.700 -7.382 -3.822
40 H1* U 4 H1* U 4 5.583 -8.898 -2.907
41 H3 U 4 3H U 4 1.180 -8.055 -2.392
42 H5 U 4 5H U 4 2.836 -7.022 1.342
43 H6 U 4 6H U 4 5.040 -7.347 0.380
44 1H5* C 5 1H5* C 5 8.297 -5.595 -5.235
45 2H5* C 5 2H5* C 5 8.789 -3.908 -5.486
46 H4* C 5 H4* C 5 7.406 -4.718 -7.363
47 H3* C 5 H3* C 5 6.334 -2.538 -5.547
48 H2* C 5 H2* C 5 4.332 -2.456 -6.776
49 2HO* C 5 2HO C 5 5.582 -3.964 -8.856
50 H1* C 5 H1* C 5 4.142 -5.158 -7.451
51 1H4 C 5 1H4 C 5 -0.114 -4.084 -2.841
52 2H4 C 5 2H4 C 5 1.157 -4.064 -1.640
53 H5 C 5 5H C 5 3.498 -4.249 -2.192
54 H6 C 5 6H C 5 5.123 -4.348 -4.020
55 1H5* C 6 1H5* C 6 6.920 -0.420 -9.460
56 2H5* C 6 2H5* C 6 6.657 1.317 -9.205
57 H4* C 6 H4* C 6 4.711 -0.085 -10.205
58 H3* C 6 H3* C 6 4.554 1.915 -7.940
59 H2* C 6 H2* C 6 2.249 1.455 -7.627
60 2HO* C 6 2HO C 6 1.038 0.985 -9.300
61 H1* C 6 H1* C 6 2.346 -1.251 -7.854
62 1H4 C 6 1H4 C 6 4.753 0.256 -1.884
63 2H4 C 6 2H4 C 6 3.016 0.267 -1.680
64 H5 C 6 5H C 6 5.828 0.062 -4.029
65 H6 C 6 6H C 6 5.471 -0.239 -6.433
66 1H5* C 7 1H5* C 7 1.798 3.887 -11.141
67 2H5* C 7 2H5* C 7 2.258 5.599 -11.055
68 H4* C 7 H4* C 7 -0.163 5.298 -10.655
69 H3* C 7 H3* C 7 1.585 6.266 -8.364
70 H2* C 7 H2* C 7 -0.341 6.450 -7.015
71 2HO* C 7 2HO C 7 -2.008 6.119 -9.304
72 H1* C 7 H1* C 7 -1.728 4.248 -8.038
73 1H4 C 7 1H4 C 7 0.553 2.651 -2.303
74 2H4 C 7 2H4 C 7 2.080 2.214 -3.036
75 H5 C 7 5H C 7 2.704 2.984 -5.248
76 H6 C 7 6H C 7 1.852 3.843 -7.377
77 1H5* C 8 1H5* C 8 -1.745 9.038 -9.165
78 2H5* C 8 2H5* C 8 -1.268 10.724 -8.885
79 H4* C 8 H4* C 8 -3.292 10.106 -7.585
80 H3* C 8 H3* C 8 -0.730 10.790 -6.103
81 H2* C 8 H2* C 8 -1.879 10.521 -4.054
82 2HO* C 8 2HO C 8 -4.408 10.167 -5.220
83 H1* C 8 H1* C 8 -3.432 8.350 -4.789
84 1H4 C 8 1H4 C 8 1.425 6.133 -1.336
85 2H4 C 8 2H4 C 8 2.504 6.280 -2.704
86 H5 C 8 5H C 8 1.865 7.329 -4.779
87 H6 C 8 6H C 8 0.018 8.345 -6.031
88 1H5* U 9 1H5* U 9 -4.201 12.498 -4.834
89 2H5* U 9 2H5* U 9 -4.193 14.178 -4.264
90 H4* U 9 H4* U 9 -5.251 12.655 -2.620
91 H3* U 9 H3* U 9 -2.622 13.990 -1.858
92 H2* U 9 H2* U 9 -2.850 13.024 0.297
93 2HO* U 9 2HO U 9 -5.045 11.835 0.599
94 H1* U 9 H1* U 9 -3.917 10.592 -0.541
95 H3 U 9 3H U 9 0.036 9.517 1.373
96 H5 U 9 5H U 9 1.139 11.410 -2.225
97 H6 U 9 6H U 9 -1.195 11.976 -2.569
98 1H5* G 10 1H5* G 10 -5.243 15.412 1.209
99 2H5* G 10 2H5* G 10 -4.539 16.876 1.926
100 H4* G 10 H4* G 10 -4.457 14.775 3.373
101 H3* G 10 H3* G 10 -2.112 16.546 2.694
102 H2* G 10 H2* G 10 -0.573 15.093 3.769
103 2HO* G 10 2HO G 10 -1.593 14.609 5.667
104 H1* G 10 H1* G 10 -1.532 12.723 2.887
105 H8 G 10 8H G 10 -2.066 15.062 0.028
106 H1 G 10 1H G 10 4.058 13.427 0.656
107 1H2 G 10 1H2 G 10 4.212 12.026 2.512
108 2H2 G 10 2H2 G 10 3.283 12.625 3.868
109 1H5* C 11 1H5* C 11 -2.814 18.565 6.789
110 2H5* C 11 2H5* C 11 -2.519 20.235 6.267
111 H4* C 11 H4* C 11 -0.257 19.927 6.094
112 H3* C 11 H3* C 11 -1.035 17.600 4.596
113 H2* C 11 H2* C 11 -0.147 15.844 5.798
114 2HO* C 11 2HO C 11 2.006 16.621 7.015
115 H1* C 11 H1* C 11 0.568 16.877 8.259
116 1H4 C 11 1H4 C 11 -4.758 13.228 8.743
117 2H4 C 11 2H4 C 11 -5.408 14.641 9.543
118 H5 C 11 5H C 11 -4.250 15.114 6.538
119 H6 C 11 6H C 11 -2.261 16.400 5.924
120 1H5* A 12 1H5* A 12 2.684 18.937 5.806
121 2H5* A 12 2H5* A 12 4.208 19.022 4.900
122 H4* A 12 H4* A 12 4.910 18.516 7.082
123 H3* A 12 H3* A 12 5.107 16.422 5.113
124 H2* A 12 H2* A 12 3.825 14.850 6.319
125 2HO* A 12 2HO A 12 5.674 14.574 8.327
126 H1* A 12 H1* A 12 4.599 16.224 8.900
127 H8 A 12 8H A 12 1.477 14.829 7.036
128 1H6 A 12 1H6 A 12 -0.618 13.187 12.136
129 2H6 A 12 2H6 A 12 0.054 11.860 11.216
130 H2 A 12 2H A 12 3.847 14.661 12.967
131 1H5* U 13 1H5* U 13 8.054 13.332 6.024
132 2H5* U 13 2H5* U 13 6.821 14.353 6.791
133 H4* U 13 H4* U 13 9.824 14.447 7.250
134 H3* U 13 H3* U 13 7.760 12.919 8.494
135 H2* U 13 H2* U 13 6.885 14.645 9.828
136 2HO* U 13 2HO U 13 8.944 13.376 11.023
137 H1* U 13 H1* U 13 9.558 16.051 9.911
138 H3 U 13 3H U 13 6.084 18.006 12.608
139 H5 U 13 5H U 13 6.285 19.890 8.841
140 H6 U 13 6H U 13 7.765 18.109 8.105
141 1H5* A 14 1H5* A 14 9.026 10.749 10.693
142 2H5* A 14 2H5* A 14 8.884 9.163 9.909
143 H4* A 14 H4* A 14 6.814 10.400 11.137
144 H3* A 14 H3* A 14 7.069 8.286 9.099
145 H2* A 14 H2* A 14 5.511 9.243 7.650
146 2HO* A 14 2HO A 14 3.991 8.572 9.945
147 H1* A 14 H1* A 14 4.449 11.027 9.831
148 H8 A 14 8H A 14 6.331 12.157 6.716
149 1H6 A 14 1H6 A 14 2.587 13.737 4.124
150 2H6 A 14 2H6 A 14 0.856 13.599 4.323
151 H2 A 14 2H A 14 0.158 11.447 8.179
152 1H5* A 15 1H5* A 15 2.949 7.805 11.519
153 2H5* A 15 2H5* A 15 2.509 6.092 11.360
154 H4* A 15 H4* A 15 0.709 7.658 10.594
155 H3* A 15 H3* A 15 2.002 5.668 8.705
156 H2* A 15 H2* A 15 0.681 6.442 6.941
157 2HO* A 15 2HO A 15 -1.089 7.587 8.874
158 H1* A 15 H1* A 15 0.349 9.112 7.808
159 H8 A 15 8H A 15 3.904 7.759 7.391
160 1H6 A 15 1H6 A 15 3.555 9.549 1.512
161 2H6 A 15 2H6 A 15 4.655 9.126 2.807
162 H2 A 15 2H A 15 -0.457 10.213 3.402
163 1H5* G 16 1H5* G 16 -2.327 5.761 9.043
164 2H5* G 16 2H5* G 16 -3.142 4.184 9.025
165 H4* G 16 H4* G 16 -4.258 5.813 7.523
166 H3* G 16 H3* G 16 -2.915 3.365 6.339
167 H2* G 16 H2* G 16 -3.524 4.063 4.186
168 2HO* G 16 2HO G 16 -5.304 6.065 4.763
169 H1* G 16 H1* G 16 -3.548 6.859 4.671
170 H8 G 16 8H G 16 -0.379 4.852 5.401
171 H1 G 16 1H G 16 -0.806 6.904 -0.616
172 1H2 G 16 1H2 G 16 -2.725 8.178 -0.777
173 2H2 G 16 2H2 G 16 -4.096 7.540 0.102
174 1H5* G 17 1H5* G 17 -6.790 4.334 5.347
175 2H5* G 17 2H5* G 17 -8.065 3.119 5.127
176 H4* G 17 H4* G 17 -8.040 4.677 3.230
177 H3* G 17 H3* G 17 -7.205 1.801 2.780
178 H2* G 17 H2* G 17 -6.684 2.238 0.540
179 2HO* G 17 2HO G 17 -8.527 4.402 0.811
180 H1* G 17 H1* G 17 -6.021 4.985 0.788
181 H8 G 17 8H G 17 -4.192 2.397 2.917
182 H1 G 17 1H G 17 -1.451 3.509 -2.735
183 1H2 G 17 1H2 G 17 -2.771 4.781 -3.981
184 2H2 G 17 2H2 G 17 -4.351 5.307 -3.442
185 1H5* A 18 1H5* A 18 -8.394 2.709 -1.235
186 2H5* A 18 2H5* A 18 -9.896 1.764 -1.319
187 H4* A 18 H4* A 18 -8.725 0.704 -2.976
188 H3* A 18 H3* A 18 -8.484 -0.651 -0.408
189 H2* A 18 H2* A 18 -6.182 -0.868 -0.503
190 2HO* A 18 2HO A 18 -5.671 -2.475 -2.386
191 H1* A 18 H1* A 18 -6.244 -0.507 -3.513
192 H8 A 18 8H A 18 -4.496 0.488 -0.198
193 1H6 A 18 1H6 A 18 0.756 0.223 -3.398
194 2H6 A 18 2H6 A 18 0.046 0.610 -1.848
195 H2 A 18 2H A 18 -2.651 -0.395 -6.266
196 1H5* U 19 1H5* U 19 -11.534 -4.489 -1.387
197 2H5* U 19 2H5* U 19 -10.840 -5.483 -2.685
198 H4* U 19 H4* U 19 -13.242 -5.259 -3.037
199 H3* U 19 H3* U 19 -11.380 -3.822 -4.945
200 H2* U 19 H2* U 19 -13.205 -2.914 -6.119
201 2HO* U 19 2HO U 19 -14.416 -5.236 -5.240
202 H1* U 19 H1* U 19 -14.936 -2.531 -3.983
203 H3 U 19 3H U 19 -13.780 1.381 -6.145
204 H5 U 19 5H U 19 -10.940 0.820 -3.087
205 H6 U 19 6H U 19 -11.811 -1.431 -2.775
206 1H5* G 20 1H5* G 20 -9.807 -3.224 -6.384
207 2H5* G 20 2H5* G 20 -10.595 -3.881 -7.832
208 H4* G 20 H4* G 20 -8.563 -3.844 -8.798
209 H3* G 20 H3* G 20 -8.602 -6.255 -7.130
210 H2* G 20 H2* G 20 -6.553 -5.915 -6.148
211 2HO* G 20 2HO G 20 -5.311 -5.711 -8.668
212 H1* G 20 H1* G 20 -5.728 -3.802 -8.125
213 H8 G 20 8H G 20 -6.742 -2.960 -4.604
214 H1 G 20 1H G 20 -0.473 -3.993 -5.116
215 1H2 G 20 1H2 G 20 -0.010 -4.876 -7.101
216 2H2 G 20 2H2 G 20 -1.203 -4.957 -8.379
217 1H5* A 21 1H5* A 21 -5.632 -6.767 -10.262
218 2H5* A 21 2H5* A 21 -5.807 -8.306 -11.126
219 H4* A 21 H4* A 21 -3.555 -8.337 -10.532
220 H3* A 21 H3* A 21 -5.111 -9.690 -8.289
221 H2* A 21 H2* A 21 -3.048 -10.102 -7.246
222 2HO* A 21 2HO A 21 -1.999 -9.864 -9.880
223 H1* A 21 H1* A 21 -1.716 -7.808 -8.281
224 H8 A 21 8H A 21 -4.876 -7.217 -6.274
225 1H6 A 21 1H6 A 21 -1.301 -7.067 -1.268
226 2H6 A 21 2H6 A 21 -2.941 -6.915 -1.860
227 H2 A 21 2H A 21 1.206 -8.448 -4.726
228 1H5* A 22 1H5* A 22 -1.946 -12.114 -10.399
229 2H5* A 22 2H5* A 22 -2.324 -13.848 -10.395
230 H4* A 22 H4* A 22 0.012 -13.408 -9.679
231 H3* A 22 H3* A 22 -1.947 -14.566 -7.660
232 H2* A 22 H2* A 22 -0.234 -14.634 -6.065
233 2HO* A 22 2HO A 22 2.045 -14.177 -7.244
234 H1* A 22 H1* A 22 1.260 -12.425 -7.027
235 H8 A 22 8H A 22 -2.398 -11.836 -6.150
236 1H6 A 22 1H6 A 22 -0.470 -10.410 -0.521
237 2H6 A 22 2H6 A 22 -1.895 -10.933 -1.387
238 H2 A 22 2H A 22 2.989 -12.317 -2.744
239 1H5* C 23 1H5* C 23 1.816 -16.815 -8.573
240 2H5* C 23 2H5* C 23 1.665 -18.564 -8.320
241 H4* C 23 H4* C 23 3.688 -17.662 -7.230
242 H3* C 23 H3* C 23 1.474 -18.766 -5.463
243 H2* C 23 H2* C 23 2.859 -18.361 -3.574
244 2HO* C 23 2HO C 23 4.866 -18.501 -5.498
245 H1* C 23 H1* C 23 3.804 -15.905 -4.348
246 1H4 C 23 1H4 C 23 -1.288 -15.118 -0.535
247 2H4 C 23 2H4 C 23 -2.267 -14.885 -1.966
248 H5 C 23 5H C 23 -1.578 -16.114 -4.012
249 H6 C 23 6H C 23 0.376 -16.643 -5.384
250 1H5* C 24 1H5* C 24 4.695 -21.097 -4.154
251 2H5* C 24 2H5* C 24 4.169 -22.772 -3.895
252 H4* C 24 H4* C 24 4.885 -21.702 -1.776
253 H3* C 24 H3* C 24 1.977 -22.451 -2.167
254 H2* C 24 H2* C 24 1.462 -21.706 -0.011
255 2HO* C 24 2HO C 24 3.662 -21.006 1.183
256 H1* C 24 H1* C 24 3.173 -19.516 0.021
257 1H4 C 24 1H4 C 24 -2.691 -17.293 -1.036
258 2H4 C 24 2H4 C 24 -2.506 -17.604 -2.748
259 H5 C 24 5H C 24 -0.656 -18.863 -3.669
260 H6 C 24 6H C 24 1.466 -19.971 -3.155
261 H3T C 24 H3T C 24 4.316 -23.525 -0.998
Start of MODEL 3
1 1H5* G 1 1H5* G 1 -7.037 -13.450 7.762
2 2H5* G 1 2H5* G 1 -5.952 -12.056 7.602
3 H4* G 1 H4* G 1 -4.838 -13.915 8.775
4 H3* G 1 H3* G 1 -3.859 -12.992 6.071
5 H2* G 1 H2* G 1 -2.222 -14.691 5.988
6 2HO* G 1 2HO G 1 -2.309 -14.392 8.684
7 H1* G 1 H1* G 1 -3.667 -16.749 7.023
8 H8 G 1 8H G 1 -6.029 -14.848 4.846
9 H1 G 1 1H G 1 -1.855 -18.235 1.414
10 1H2 G 1 1H2 G 1 -0.376 -19.206 2.815
11 2H2 G 1 2H2 G 1 -0.068 -18.483 4.377
12 H5T G 1 H5T G 1 -7.163 -12.659 5.681
13 1H5* G 2 1H5* G 2 -0.244 -12.893 8.679
14 2H5* G 2 2H5* G 2 0.445 -11.262 8.559
15 H4* G 2 H4* G 2 2.211 -12.869 8.154
16 H3* G 2 H3* G 2 1.208 -11.253 5.807
17 H2* G 2 H2* G 2 2.619 -12.409 4.302
18 2HO* G 2 2HO G 2 4.528 -13.094 4.926
19 H1* G 2 H1* G 2 2.272 -14.928 5.244
20 H8 G 2 8H G 2 -0.958 -12.978 5.544
21 H1 G 2 1H G 2 0.078 -15.174 -0.345
22 1H2 G 2 1H2 G 2 2.120 -16.025 -0.492
23 2H2 G 2 2H2 G 2 3.260 -15.959 0.832
24 1H5* U 3 1H5* U 3 5.551 -11.257 5.803
25 2H5* U 3 2H5* U 3 6.211 -9.644 5.462
26 H4* U 3 H4* U 3 7.146 -11.356 3.933
27 H3* U 3 H3* U 3 5.412 -9.118 2.854
28 H2* U 3 H2* U 3 5.615 -9.974 0.649
29 2HO* U 3 2HO U 3 7.341 -12.071 1.287
30 H1* U 3 H1* U 3 5.257 -12.608 1.227
31 H3 U 3 3H U 3 1.421 -11.188 -0.737
32 H5 U 3 5H U 3 1.169 -9.742 3.216
33 H6 U 3 6H U 3 3.444 -10.519 3.572
34 1H5* U 4 1H5* U 4 9.009 -8.936 0.400
35 2H5* U 4 2H5* U 4 9.481 -7.239 0.183
36 H4* U 4 H4* U 4 9.123 -8.313 -1.996
37 H3* U 4 H3* U 4 7.168 -6.168 -1.104
38 H2* U 4 H2* U 4 5.992 -6.394 -3.145
39 2HO* U 4 2HO U 4 6.936 -7.053 -4.973
40 H1* U 4 H1* U 4 6.168 -9.142 -3.385
41 H3 U 4 3H U 4 1.777 -8.328 -2.701
42 H5 U 4 5H U 4 3.542 -7.575 1.052
43 H6 U 4 6H U 4 5.715 -7.865 0.016
44 1H5* C 5 1H5* C 5 8.608 -5.430 -5.306
45 2H5* C 5 2H5* C 5 9.113 -3.728 -5.335
46 H4* C 5 H4* C 5 7.699 -4.249 -7.281
47 H3* C 5 H3* C 5 6.588 -2.389 -5.149
48 H2* C 5 H2* C 5 4.639 -2.092 -6.463
49 2HO* C 5 2HO C 5 6.313 -3.034 -8.547
50 H1* C 5 H1* C 5 4.397 -4.701 -7.346
51 1H4 C 5 1H4 C 5 0.364 -3.945 -2.474
52 2H4 C 5 2H4 C 5 1.680 -4.091 -1.328
53 H5 C 5 5H C 5 3.996 -4.239 -1.992
54 H6 C 5 6H C 5 5.542 -4.268 -3.890
55 1H5* C 6 1H5* C 6 7.295 0.033 -8.773
56 2H5* C 6 2H5* C 6 7.017 1.770 -8.538
57 H4* C 6 H4* C 6 5.113 0.355 -9.595
58 H3* C 6 H3* C 6 4.848 2.341 -7.319
59 H2* C 6 H2* C 6 2.523 1.892 -7.182
60 2HO* C 6 2HO C 6 2.853 1.320 -9.820
61 H1* C 6 H1* C 6 2.644 -0.821 -7.473
62 1H4 C 6 1H4 C 6 4.376 0.498 -1.237
63 2H4 C 6 2H4 C 6 2.629 0.591 -1.234
64 H5 C 6 5H C 6 5.680 0.229 -3.247
65 H6 C 6 6H C 6 5.590 0.041 -5.687
66 1H5* C 7 1H5* C 7 2.388 4.442 -10.681
67 2H5* C 7 2H5* C 7 2.881 6.141 -10.521
68 H4* C 7 H4* C 7 0.429 5.886 -10.305
69 H3* C 7 H3* C 7 2.038 6.776 -7.886
70 H2* C 7 H2* C 7 0.042 6.966 -6.652
71 2HO* C 7 2HO C 7 -2.033 6.759 -8.009
72 H1* C 7 H1* C 7 -1.341 4.838 -7.830
73 1H4 C 7 1H4 C 7 0.430 2.970 -2.005
74 2H4 C 7 2H4 C 7 2.023 2.575 -2.608
75 H5 C 7 5H C 7 2.819 3.324 -4.765
76 H6 C 7 6H C 7 2.161 4.270 -6.925
77 1H5* C 8 1H5* C 8 -1.183 9.550 -8.756
78 2H5* C 8 2H5* C 8 -0.730 11.237 -8.440
79 H4* C 8 H4* C 8 -2.781 10.587 -7.203
80 H3* C 8 H3* C 8 -0.259 11.296 -5.676
81 H2* C 8 H2* C 8 -1.384 10.929 -3.635
82 2HO* C 8 2HO C 8 -3.624 11.493 -5.207
83 H1* C 8 H1* C 8 -2.888 8.743 -4.397
84 1H4 C 8 1H4 C 8 2.125 6.589 -1.120
85 2H4 C 8 2H4 C 8 3.130 6.701 -2.548
86 H5 C 8 5H C 8 2.429 7.847 -4.554
87 H6 C 8 6H C 8 0.529 8.859 -5.725
88 1H5* U 9 1H5* U 9 -3.927 13.106 -4.519
89 2H5* U 9 2H5* U 9 -3.860 14.784 -3.941
90 H4* U 9 H4* U 9 -5.099 13.316 -2.372
91 H3* U 9 H3* U 9 -2.475 14.563 -1.481
92 H2* U 9 H2* U 9 -2.746 13.556 0.645
93 2HO* U 9 2HO U 9 -4.673 13.328 1.508
94 H1* U 9 H1* U 9 -3.866 11.162 -0.218
95 H3 U 9 3H U 9 0.054 9.928 1.649
96 H5 U 9 5H U 9 1.210 11.908 -1.886
97 H6 U 9 6H U 9 -1.106 12.547 -2.208
98 1H5* G 10 1H5* G 10 -5.015 16.052 1.562
99 2H5* G 10 2H5* G 10 -4.282 17.523 2.233
100 H4* G 10 H4* G 10 -4.151 15.492 3.734
101 H3* G 10 H3* G 10 -1.760 17.107 2.847
102 H2* G 10 H2* G 10 -0.246 15.613 3.917
103 2HO* G 10 2HO G 10 -2.588 14.696 5.254
104 H1* G 10 H1* G 10 -1.365 13.275 3.159
105 H8 G 10 8H G 10 -1.916 15.679 0.321
106 H1 G 10 1H G 10 4.023 13.389 0.456
107 1H2 G 10 1H2 G 10 4.284 12.127 2.308
108 2H2 G 10 2H2 G 10 3.304 12.497 3.709
109 1H5* C 11 1H5* C 11 -1.932 19.104 6.990
110 2H5* C 11 2H5* C 11 -1.760 20.807 6.526
111 H4* C 11 H4* C 11 0.503 20.661 6.316
112 H3* C 11 H3* C 11 -0.140 18.494 4.590
113 H2* C 11 H2* C 11 0.683 16.625 5.649
114 2HO* C 11 2HO C 11 2.925 17.306 6.828
115 H1* C 11 H1* C 11 1.557 17.453 8.160
116 1H4 C 11 1H4 C 11 -4.084 14.769 9.777
117 2H4 C 11 2H4 C 11 -3.807 13.749 8.382
118 H5 C 11 5H C 11 -3.318 15.731 6.568
119 H6 C 11 6H C 11 -1.408 17.142 5.967
120 1H5* A 12 1H5* A 12 4.067 19.439 5.478
121 2H5* A 12 2H5* A 12 5.356 19.256 4.270
122 H4* A 12 H4* A 12 6.328 18.114 6.026
123 H3* A 12 H3* A 12 4.637 16.188 4.427
124 H2* A 12 H2* A 12 4.757 14.558 6.066
125 2HO* A 12 2HO A 12 6.640 14.029 6.984
126 H1* A 12 H1* A 12 5.594 16.235 8.263
127 H8 A 12 8H A 12 2.366 15.389 6.291
128 1H6 A 12 1H6 A 12 0.357 12.804 10.948
129 2H6 A 12 2H6 A 12 -0.351 14.399 10.835
130 H2 A 12 2H A 12 4.360 15.080 12.352
131 1H5* U 13 1H5* U 13 9.436 16.044 5.010
132 2H5* U 13 2H5* U 13 10.270 14.504 4.726
133 H4* U 13 H4* U 13 10.958 14.742 6.877
134 H3* U 13 H3* U 13 8.388 13.361 6.862
135 H2* U 13 H2* U 13 7.363 14.714 8.454
136 2HO* U 13 2HO U 13 8.558 12.874 9.668
137 H1* U 13 H1* U 13 9.999 15.798 9.440
138 H3 U 13 3H U 13 6.130 17.507 11.681
139 H5 U 13 5H U 13 7.193 20.039 8.483
140 H6 U 13 6H U 13 8.717 18.313 7.711
141 1H5* A 14 1H5* A 14 9.439 10.670 9.769
142 2H5* A 14 2H5* A 14 9.131 9.073 9.060
143 H4* A 14 H4* A 14 7.355 10.289 10.660
144 H3* A 14 H3* A 14 7.177 8.245 8.568
145 H2* A 14 H2* A 14 5.455 9.256 7.382
146 2HO* A 14 2HO A 14 4.331 8.488 9.838
147 H1* A 14 H1* A 14 4.719 11.082 9.648
148 H8 A 14 8H A 14 6.395 11.927 6.304
149 1H6 A 14 1H6 A 14 2.558 13.708 4.001
150 2H6 A 14 2H6 A 14 0.890 13.945 4.470
151 H2 A 14 2H A 14 0.405 12.065 8.492
152 1H5* A 15 1H5* A 15 3.396 7.653 11.495
153 2H5* A 15 2H5* A 15 2.962 5.946 11.277
154 H4* A 15 H4* A 15 1.056 7.480 10.812
155 H3* A 15 H3* A 15 2.203 5.764 8.580
156 H2* A 15 H2* A 15 0.543 6.604 7.124
157 2HO* A 15 2HO A 15 -1.288 7.775 7.975
158 H1* A 15 H1* A 15 0.495 9.212 8.068
159 H8 A 15 8H A 15 3.939 7.626 7.498
160 1H6 A 15 1H6 A 15 3.538 9.625 1.690
161 2H6 A 15 2H6 A 15 4.620 8.998 2.915
162 H2 A 15 2H A 15 -0.361 10.495 3.727
163 1H5* G 16 1H5* G 16 -1.957 5.653 9.162
164 2H5* G 16 2H5* G 16 -2.763 4.075 9.067
165 H4* G 16 H4* G 16 -3.935 5.790 7.712
166 H3* G 16 H3* G 16 -2.618 3.437 6.317
167 H2* G 16 H2* G 16 -3.316 4.274 4.242
168 2HO* G 16 2HO G 16 -5.172 6.043 5.465
169 H1* G 16 H1* G 16 -3.332 7.030 4.918
170 H8 G 16 8H G 16 -0.118 5.013 5.389
171 H1 G 16 1H G 16 -0.793 7.454 -0.453
172 1H2 G 16 1H2 G 16 -2.745 8.622 -0.529
173 2H2 G 16 2H2 G 16 -4.063 8.054 0.470
174 1H5* G 17 1H5* G 17 -6.537 4.450 5.546
175 2H5* G 17 2H5* G 17 -7.812 3.247 5.277
176 H4* G 17 H4* G 17 -7.863 4.962 3.518
177 H3* G 17 H3* G 17 -7.095 2.124 2.818
178 H2* G 17 H2* G 17 -6.661 2.708 0.585
179 2HO* G 17 2HO G 17 -8.082 5.157 0.975
180 H1* G 17 H1* G 17 -5.776 5.335 0.973
181 H8 G 17 8H G 17 -4.268 2.502 3.060
182 H1 G 17 1H G 17 -1.195 3.627 -2.412
183 1H2 G 17 1H2 G 17 -2.391 5.006 -3.679
184 2H2 G 17 2H2 G 17 -3.833 5.800 -3.088
185 1H5* A 18 1H5* A 18 -8.322 3.523 -0.937
186 2H5* A 18 2H5* A 18 -9.924 2.769 -1.089
187 H4* A 18 H4* A 18 -8.997 1.918 -2.987
188 H3* A 18 H3* A 18 -8.661 0.095 -0.737
189 H2* A 18 H2* A 18 -6.392 -0.257 -1.101
190 2HO* A 18 2HO A 18 -6.646 -1.371 -3.586
191 H1* A 18 H1* A 18 -6.688 0.662 -3.977
192 H8 A 18 8H A 18 -4.601 1.235 -0.748
193 1H6 A 18 1H6 A 18 0.346 0.622 -4.367
194 2H6 A 18 2H6 A 18 -0.208 0.931 -2.737
195 H2 A 18 2H A 18 -3.317 0.314 -6.954
196 1H5* U 19 1H5* U 19 -7.457 -2.631 0.140
197 2H5* U 19 2H5* U 19 -7.124 -2.651 -1.602
198 H4* U 19 H4* U 19 -6.989 -4.907 -1.184
199 H3* U 19 H3* U 19 -9.928 -4.308 -1.664
200 H2* U 19 H2* U 19 -10.438 -6.551 -1.205
201 2HO* U 19 2HO U 19 -7.965 -7.699 -1.174
202 H1* U 19 H1* U 19 -8.312 -7.057 0.609
203 H3 U 19 3H U 19 -12.013 -8.241 2.912
204 H5 U 19 5H U 19 -12.421 -4.074 2.439
205 H6 U 19 6H U 19 -10.423 -4.105 1.044
206 1H5* G 20 1H5* G 20 -9.797 -3.180 -6.957
207 2H5* G 20 2H5* G 20 -9.928 -4.949 -6.889
208 H4* G 20 H4* G 20 -8.235 -3.937 -8.553
209 H3* G 20 H3* G 20 -8.041 -6.274 -6.803
210 H2* G 20 H2* G 20 -5.898 -5.892 -6.076
211 2HO* G 20 2HO G 20 -5.020 -5.767 -8.760
212 H1* G 20 H1* G 20 -5.292 -3.830 -8.172
213 H8 G 20 8H G 20 -6.041 -2.866 -4.621
214 H1 G 20 1H G 20 0.171 -3.933 -5.549
215 1H2 G 20 1H2 G 20 0.511 -4.759 -7.574
216 2H2 G 20 2H2 G 20 -0.796 -5.053 -8.699
217 1H5* A 21 1H5* A 21 -5.447 -6.846 -10.176
218 2H5* A 21 2H5* A 21 -5.725 -8.366 -11.050
219 H4* A 21 H4* A 21 -3.416 -8.404 -10.719
220 H3* A 21 H3* A 21 -4.724 -9.822 -8.361
221 H2* A 21 H2* A 21 -2.566 -10.259 -7.542
222 2HO* A 21 2HO A 21 -0.941 -10.737 -8.847
223 H1* A 21 H1* A 21 -1.342 -7.925 -8.603
224 H8 A 21 8H A 21 -4.326 -7.293 -6.396
225 1H6 A 21 1H6 A 21 -0.491 -7.425 -1.596
226 2H6 A 21 2H6 A 21 -2.159 -7.230 -2.087
227 H2 A 21 2H A 21 1.760 -8.864 -5.205
228 1H5* A 22 1H5* A 22 -1.971 -12.586 -10.757
229 2H5* A 22 2H5* A 22 -2.585 -14.248 -10.649
230 H4* A 22 H4* A 22 -0.176 -14.108 -10.063
231 H3* A 22 H3* A 22 -2.174 -14.911 -7.918
232 H2* A 22 H2* A 22 -0.413 -15.168 -6.393
233 2HO* A 22 2HO A 22 1.255 -15.366 -8.703
234 H1* A 22 H1* A 22 1.276 -13.163 -7.418
235 H8 A 22 8H A 22 -2.314 -12.179 -6.598
236 1H6 A 22 1H6 A 22 -0.342 -11.063 -0.873
237 2H6 A 22 2H6 A 22 -1.670 -10.869 -1.995
238 H2 A 22 2H A 22 2.990 -13.066 -3.150
239 1H5* C 23 1H5* C 23 1.236 -17.642 -8.743
240 2H5* C 23 2H5* C 23 0.868 -19.347 -8.410
241 H4* C 23 H4* C 23 2.983 -18.649 -7.343
242 H3* C 23 H3* C 23 0.645 -19.395 -5.554
243 H2* C 23 H2* C 23 2.065 -19.087 -3.671
244 2HO* C 23 2HO C 23 4.427 -18.422 -4.705
245 H1* C 23 H1* C 23 3.295 -16.791 -4.529
246 1H4 C 23 1H4 C 23 -1.782 -15.422 -0.827
247 2H4 C 23 2H4 C 23 -2.595 -14.890 -2.282
248 H5 C 23 5H C 23 -2.083 -16.422 -4.258
249 H6 C 23 6H C 23 -0.181 -17.197 -5.581
250 1H5* C 24 1H5* C 24 3.541 -22.041 -4.117
251 2H5* C 24 2H5* C 24 2.818 -23.634 -3.811
252 H4* C 24 H4* C 24 3.642 -22.590 -1.721
253 H3* C 24 H3* C 24 0.662 -22.975 -2.111
254 H2* C 24 H2* C 24 0.257 -22.134 0.037
255 2HO* C 24 2HO C 24 2.871 -21.821 0.872
256 H1* C 24 H1* C 24 2.183 -20.142 -0.012
257 1H4 C 24 1H4 C 24 -3.483 -17.491 -1.223
258 2H4 C 24 2H4 C 24 -3.244 -17.775 -2.934
259 H5 C 24 5H C 24 -1.519 -19.256 -3.782
260 H6 C 24 6H C 24 0.496 -20.520 -3.199
261 H3T C 24 H3T C 24 2.581 -24.610 -1.689
Start of MODEL 4
1 1H5* G 1 1H5* G 1 -6.423 -13.067 8.019
2 2H5* G 1 2H5* G 1 -5.382 -11.632 8.116
3 H4* G 1 H4* G 1 -4.214 -13.528 9.097
4 H3* G 1 H3* G 1 -3.219 -12.431 6.465
5 H2* G 1 H2* G 1 -1.570 -14.105 6.296
6 2HO* G 1 2HO G 1 -1.633 -15.492 8.530
7 H1* G 1 H1* G 1 -2.980 -16.229 7.306
8 H8 G 1 8H G 1 -5.367 -14.499 5.061
9 H1 G 1 1H G 1 -0.817 -17.490 1.738
10 1H2 G 1 1H2 G 1 0.912 -17.942 3.091
11 2H2 G 1 2H2 G 1 0.700 -17.974 4.827
12 H5T G 1 H5T G 1 -6.535 -12.245 6.035
13 1H5* G 2 1H5* G 2 0.382 -12.568 9.100
14 2H5* G 2 2H5* G 2 0.978 -10.899 9.196
15 H4* G 2 H4* G 2 2.875 -12.283 8.710
16 H3* G 2 H3* G 2 1.799 -10.635 6.423
17 H2* G 2 H2* G 2 3.333 -11.584 4.896
18 2HO* G 2 2HO G 2 4.708 -13.015 6.909
19 H1* G 2 H1* G 2 3.192 -14.172 5.699
20 H8 G 2 8H G 2 -0.182 -12.463 5.998
21 H1 G 2 1H G 2 1.073 -14.503 0.092
22 1H2 G 2 1H2 G 2 3.164 -15.243 -0.025
23 2H2 G 2 2H2 G 2 4.300 -15.039 1.289
24 1H5* U 3 1H5* U 3 5.972 -10.431 6.287
25 2H5* U 3 2H5* U 3 6.597 -8.801 5.963
26 H4* U 3 H4* U 3 7.397 -10.433 4.283
27 H3* U 3 H3* U 3 5.548 -8.179 3.444
28 H2* U 3 H2* U 3 5.622 -8.938 1.197
29 2HO* U 3 2HO U 3 8.077 -9.659 1.840
30 H1* U 3 H1* U 3 5.422 -11.620 1.696
31 H3 U 3 3H U 3 1.432 -10.444 -0.080
32 H5 U 3 5H U 3 1.289 -8.916 3.846
33 H6 U 3 6H U 3 3.612 -9.570 4.112
34 1H5* U 4 1H5* U 4 8.653 -8.218 0.597
35 2H5* U 4 2H5* U 4 9.191 -6.568 0.226
36 H4* U 4 H4* U 4 8.433 -7.728 -1.814
37 H3* U 4 H3* U 4 6.749 -5.406 -0.794
38 H2* U 4 H2* U 4 5.370 -5.648 -2.692
39 2HO* U 4 2HO U 4 7.039 -7.486 -4.005
40 H1* U 4 H1* U 4 5.573 -8.444 -2.919
41 H3 U 4 3H U 4 1.153 -7.670 -2.456
42 H5 U 4 5H U 4 2.735 -6.711 1.330
43 H6 U 4 6H U 4 4.960 -7.001 0.400
44 1H5* C 5 1H5* C 5 8.063 -5.123 -4.946
45 2H5* C 5 2H5* C 5 8.795 -3.540 -5.276
46 H4* C 5 H4* C 5 7.369 -4.045 -7.140
47 H3* C 5 H3* C 5 6.208 -2.030 -5.183
48 H2* C 5 H2* C 5 4.302 -1.822 -6.560
49 2HO* C 5 2HO C 5 5.938 -1.929 -8.502
50 H1* C 5 H1* C 5 4.109 -4.480 -7.343
51 1H4 C 5 1H4 C 5 -0.255 -3.456 -2.820
52 2H4 C 5 2H4 C 5 0.978 -3.511 -1.577
53 H5 C 5 5H C 5 3.336 -3.698 -2.066
54 H6 C 5 6H C 5 5.010 -3.817 -3.849
55 1H5* C 6 1H5* C 6 7.147 0.408 -8.861
56 2H5* C 6 2H5* C 6 6.840 2.124 -8.521
57 H4* C 6 H4* C 6 5.012 0.773 -9.783
58 H3* C 6 H3* C 6 4.612 2.622 -7.417
59 H2* C 6 H2* C 6 2.289 2.134 -7.388
60 2HO* C 6 2HO C 6 2.794 1.176 -10.013
61 H1* C 6 H1* C 6 2.447 -0.550 -7.771
62 1H4 C 6 1H4 C 6 2.397 0.649 -1.485
63 2H4 C 6 2H4 C 6 4.147 0.598 -1.484
64 H5 C 6 5H C 6 5.462 0.520 -3.503
65 H6 C 6 6H C 6 5.382 0.369 -5.948
66 1H5* C 7 1H5* C 7 2.172 4.663 -10.803
67 2H5* C 7 2H5* C 7 2.546 6.390 -10.633
68 H4* C 7 H4* C 7 0.106 5.971 -10.546
69 H3* C 7 H3* C 7 1.519 6.995 -8.057
70 H2* C 7 H2* C 7 -0.555 7.066 -6.936
71 2HO* C 7 2HO C 7 -2.549 6.983 -8.125
72 H1* C 7 H1* C 7 -1.716 4.826 -8.148
73 1H4 C 7 1H4 C 7 -0.124 3.134 -2.222
74 2H4 C 7 2H4 C 7 1.522 2.847 -2.738
75 H5 C 7 5H C 7 2.363 3.548 -4.887
76 H6 C 7 6H C 7 1.756 4.447 -7.086
77 1H5* C 8 1H5* C 8 -1.641 9.792 -8.829
78 2H5* C 8 2H5* C 8 -1.096 11.457 -8.541
79 H4* C 8 H4* C 8 -3.052 10.870 -7.127
80 H3* C 8 H3* C 8 -0.373 11.467 -5.838
81 H2* C 8 H2* C 8 -1.256 11.033 -3.720
82 2HO* C 8 2HO C 8 -3.387 12.264 -4.771
83 H1* C 8 H1* C 8 -3.209 9.136 -4.453
84 1H4 C 8 1H4 C 8 1.253 6.094 -1.106
85 2H4 C 8 2H4 C 8 2.377 6.198 -2.443
86 H5 C 8 5H C 8 1.881 7.369 -4.495
87 H6 C 8 6H C 8 0.203 8.688 -5.701
88 1H5* U 9 1H5* U 9 -4.009 13.957 -4.516
89 2H5* U 9 2H5* U 9 -3.495 15.540 -3.897
90 H4* U 9 H4* U 9 -5.051 14.401 -2.337
91 H3* U 9 H3* U 9 -2.173 14.857 -1.461
92 H2* U 9 H2* U 9 -2.745 13.964 0.670
93 2HO* U 9 2HO U 9 -5.076 13.476 1.061
94 H1* U 9 H1* U 9 -4.342 11.911 -0.247
95 H3 U 9 3H U 9 -0.717 9.850 1.499
96 H5 U 9 5H U 9 0.731 11.594 -2.053
97 H6 U 9 6H U 9 -1.422 12.688 -2.313
98 1H5* G 10 1H5* G 10 -4.125 16.847 1.666
99 2H5* G 10 2H5* G 10 -3.093 18.159 2.268
100 H4* G 10 H4* G 10 -3.307 16.262 3.883
101 H3* G 10 H3* G 10 -0.655 17.151 2.749
102 H2* G 10 H2* G 10 0.508 15.370 3.800
103 2HO* G 10 2HO G 10 -0.638 14.024 5.372
104 H1* G 10 H1* G 10 -1.236 13.364 3.307
105 H8 G 10 8H G 10 -1.324 15.714 0.360
106 H1 G 10 1H G 10 3.681 11.779 0.243
107 1H2 G 10 1H2 G 10 3.766 10.622 2.158
108 2H2 G 10 2H2 G 10 2.956 11.235 3.583
109 1H5* C 11 1H5* C 11 -0.033 19.357 6.759
110 2H5* C 11 2H5* C 11 0.606 20.895 6.145
111 H4* C 11 H4* C 11 2.701 20.051 5.814
112 H3* C 11 H3* C 11 1.294 17.979 4.427
113 H2* C 11 H2* C 11 1.754 16.073 5.634
114 2HO* C 11 2HO C 11 3.842 15.897 4.953
115 H1* C 11 H1* C 11 2.943 16.905 7.996
116 1H4 C 11 1H4 C 11 -3.417 15.267 8.592
117 2H4 C 11 2H4 C 11 -2.913 15.682 10.215
118 H5 C 11 5H C 11 -2.308 16.502 6.740
119 H6 C 11 6H C 11 -0.115 17.242 5.937
120 1H5* A 12 1H5* A 12 5.440 17.817 5.116
121 2H5* A 12 2H5* A 12 6.687 17.369 3.936
122 H4* A 12 H4* A 12 7.459 16.015 5.592
123 H3* A 12 H3* A 12 5.090 14.535 4.431
124 H2* A 12 H2* A 12 5.031 13.071 6.225
125 2HO* A 12 2HO A 12 7.801 13.328 5.985
126 H1* A 12 H1* A 12 6.572 14.653 8.082
127 H8 A 12 8H A 12 2.971 14.548 6.637
128 1H6 A 12 1H6 A 12 1.038 14.604 12.180
129 2H6 A 12 2H6 A 12 0.880 13.170 11.192
130 H2 A 12 2H A 12 5.718 14.241 12.400
131 1H5* U 13 1H5* U 13 9.710 13.051 4.406
132 2H5* U 13 2H5* U 13 10.016 11.312 4.232
133 H4* U 13 H4* U 13 11.089 11.563 6.224
134 H3* U 13 H3* U 13 8.286 10.910 6.685
135 H2* U 13 H2* U 13 7.866 12.597 8.225
136 2HO* U 13 2HO U 13 9.347 12.194 10.233
137 H1* U 13 H1* U 13 10.792 13.070 8.759
138 H3 U 13 3H U 13 7.686 15.873 11.122
139 H5 U 13 5H U 13 9.097 17.800 7.647
140 H6 U 13 6H U 13 10.030 15.675 6.928
141 1H5* A 14 1H5* A 14 8.573 8.647 9.801
142 2H5* A 14 2H5* A 14 7.942 7.060 9.321
143 H4* A 14 H4* A 14 6.434 8.734 10.696
144 H3* A 14 H3* A 14 5.841 6.687 8.675
145 H2* A 14 H2* A 14 4.385 8.014 7.434
146 2HO* A 14 2HO A 14 3.051 6.973 9.292
147 H1* A 14 H1* A 14 4.092 10.038 9.626
148 H8 A 14 8H A 14 5.759 10.141 6.139
149 1H6 A 14 1H6 A 14 2.519 12.971 3.949
150 2H6 A 14 2H6 A 14 0.906 13.482 4.388
151 H2 A 14 2H A 14 0.319 12.277 8.659
152 1H5* A 15 1H5* A 15 1.978 7.044 11.481
153 2H5* A 15 2H5* A 15 1.227 5.440 11.355
154 H4* A 15 H4* A 15 -0.338 7.270 10.723
155 H3* A 15 H3* A 15 0.525 5.252 8.615
156 H2* A 15 H2* A 15 -0.931 6.306 7.083
157 2HO* A 15 2HO A 15 -2.291 8.130 8.344
158 H1* A 15 H1* A 15 -0.547 8.924 7.957
159 H8 A 15 8H A 15 2.594 6.811 7.412
160 1H6 A 15 1H6 A 15 2.479 8.793 1.576
161 2H6 A 15 2H6 A 15 3.373 7.849 2.750
162 H2 A 15 2H A 15 -1.280 10.166 3.594
163 1H5* G 16 1H5* G 16 -3.704 5.613 8.948
164 2H5* G 16 2H5* G 16 -4.597 4.084 8.819
165 H4* G 16 H4* G 16 -5.468 5.796 7.247
166 H3* G 16 H3* G 16 -4.131 3.316 6.101
167 H2* G 16 H2* G 16 -4.602 4.112 3.944
168 2HO* G 16 2HO G 16 -6.436 6.053 4.886
169 H1* G 16 H1* G 16 -4.529 6.886 4.561
170 H8 G 16 8H G 16 -1.475 4.698 5.294
171 H1 G 16 1H G 16 -1.603 7.095 -0.609
172 1H2 G 16 1H2 G 16 -3.802 7.721 -1.040
173 2H2 G 16 2H2 G 16 -4.568 8.531 0.308
174 1H5* G 17 1H5* G 17 -7.871 4.454 4.873
175 2H5* G 17 2H5* G 17 -9.174 3.297 4.533
176 H4* G 17 H4* G 17 -8.971 4.884 2.679
177 H3* G 17 H3* G 17 -8.160 2.001 2.220
178 H2* G 17 H2* G 17 -7.464 2.479 0.037
179 2HO* G 17 2HO G 17 -8.789 4.971 -0.072
180 H1* G 17 H1* G 17 -6.775 5.208 0.401
181 H8 G 17 8H G 17 -5.165 2.504 2.572
182 H1 G 17 1H G 17 -1.957 3.793 -2.789
183 1H2 G 17 1H2 G 17 -3.200 5.062 -4.124
184 2H2 G 17 2H2 G 17 -4.716 5.761 -3.600
185 1H5* A 18 1H5* A 18 -8.986 3.123 -1.749
186 2H5* A 18 2H5* A 18 -10.533 2.298 -2.027
187 H4* A 18 H4* A 18 -9.351 1.279 -3.686
188 H3* A 18 H3* A 18 -9.232 -0.272 -1.222
189 H2* A 18 H2* A 18 -6.928 -0.553 -1.261
190 2HO* A 18 2HO A 18 -7.058 -1.928 -3.696
191 H1* A 18 H1* A 18 -6.870 0.043 -4.235
192 H8 A 18 8H A 18 -5.259 0.796 -0.789
193 1H6 A 18 1H6 A 18 0.131 0.698 -3.771
194 2H6 A 18 2H6 A 18 -0.641 0.811 -2.205
195 H2 A 18 2H A 18 -3.147 0.173 -6.802
196 1H5* U 19 1H5* U 19 -9.010 -3.992 -1.093
197 2H5* U 19 2H5* U 19 -7.990 -3.068 -2.216
198 H4* U 19 H4* U 19 -7.262 -4.939 -3.284
199 H3* U 19 H3* U 19 -10.161 -5.781 -3.110
200 H2* U 19 H2* U 19 -9.584 -8.059 -3.264
201 2HO* U 19 2HO U 19 -6.899 -7.906 -3.733
202 H1* U 19 H1* U 19 -7.259 -8.023 -1.779
203 H3 U 19 3H U 19 -10.651 -10.503 0.148
204 H5 U 19 5H U 19 -11.037 -6.581 1.641
205 H6 U 19 6H U 19 -9.398 -5.865 -0.002
206 1H5* G 20 1H5* G 20 -9.617 -2.809 -7.655
207 2H5* G 20 2H5* G 20 -10.330 -3.922 -8.841
208 H4* G 20 H4* G 20 -8.231 -3.877 -9.725
209 H3* G 20 H3* G 20 -8.430 -6.037 -7.746
210 H2* G 20 H2* G 20 -6.402 -5.647 -6.738
211 2HO* G 20 2HO G 20 -5.138 -5.821 -9.264
212 H1* G 20 H1* G 20 -5.425 -3.820 -8.919
213 H8 G 20 8H G 20 -6.598 -2.588 -5.553
214 H1 G 20 1H G 20 -0.321 -3.685 -5.691
215 1H2 G 20 1H2 G 20 0.228 -4.699 -7.585
216 2H2 G 20 2H2 G 20 -0.928 -4.976 -8.867
217 1H5* A 21 1H5* A 21 -5.371 -6.932 -10.627
218 2H5* A 21 2H5* A 21 -5.512 -8.539 -11.367
219 H4* A 21 H4* A 21 -3.273 -8.487 -10.714
220 H3* A 21 H3* A 21 -4.872 -9.694 -8.416
221 H2* A 21 H2* A 21 -2.825 -10.008 -7.300
222 2HO* A 21 2HO A 21 -0.911 -10.312 -8.357
223 H1* A 21 H1* A 21 -1.504 -7.768 -8.465
224 H8 A 21 8H A 21 -4.687 -6.952 -6.603
225 1H6 A 21 1H6 A 21 -1.288 -6.691 -1.471
226 2H6 A 21 2H6 A 21 -2.878 -6.423 -2.151
227 H2 A 21 2H A 21 1.276 -8.355 -4.750
228 1H5* A 22 1H5* A 22 -1.633 -12.245 -10.322
229 2H5* A 22 2H5* A 22 -2.035 -13.969 -10.216
230 H4* A 22 H4* A 22 0.306 -13.516 -9.526
231 H3* A 22 H3* A 22 -1.664 -14.542 -7.453
232 H2* A 22 H2* A 22 0.044 -14.541 -5.850
233 2HO* A 22 2HO A 22 2.132 -14.940 -6.345
234 H1* A 22 H1* A 22 1.562 -12.402 -6.922
235 H8 A 22 8H A 22 -2.080 -11.679 -6.135
236 1H6 A 22 1H6 A 22 -0.207 -9.988 -0.567
237 2H6 A 22 2H6 A 22 -1.632 -10.559 -1.404
238 H2 A 22 2H A 22 3.225 -12.150 -2.602
239 1H5* C 23 1H5* C 23 2.078 -16.898 -8.308
240 2H5* C 23 2H5* C 23 1.888 -18.634 -7.997
241 H4* C 23 H4* C 23 3.954 -17.763 -6.973
242 H3* C 23 H3* C 23 1.731 -18.751 -5.157
243 H2* C 23 H2* C 23 3.107 -18.308 -3.278
244 2HO* C 23 2HO C 23 5.028 -19.170 -4.601
245 H1* C 23 H1* C 23 4.137 -15.916 -4.123
246 1H4 C 23 1H4 C 23 -0.967 -14.882 -0.383
247 2H4 C 23 2H4 C 23 -1.928 -14.661 -1.828
248 H5 C 23 5H C 23 -1.252 -15.942 -3.840
249 H6 C 23 6H C 23 0.698 -16.563 -5.177
250 1H5* C 24 1H5* C 24 4.898 -21.099 -3.772
251 2H5* C 24 2H5* C 24 4.347 -22.763 -3.484
252 H4* C 24 H4* C 24 5.068 -21.681 -1.383
253 H3* C 24 H3* C 24 2.137 -22.333 -1.775
254 H2* C 24 H2* C 24 1.654 -21.557 0.382
255 2HO* C 24 2HO C 24 4.241 -22.335 0.849
256 H1* C 24 H1* C 24 3.408 -19.407 0.369
257 1H4 C 24 1H4 C 24 -2.376 -17.044 -0.814
258 2H4 C 24 2H4 C 24 -2.205 -17.454 -2.507
259 H5 C 24 5H C 24 -0.374 -18.767 -3.369
260 H6 C 24 6H C 24 1.717 -19.907 -2.806
261 H3T C 24 H3T C 24 2.748 -24.163 -0.822
Start of MODEL 5
1 1H5* G 1 1H5* G 1 -6.653 -13.697 7.522
2 2H5* G 1 2H5* G 1 -5.766 -12.278 8.114
3 H4* G 1 H4* G 1 -4.453 -14.035 8.913
4 H3* G 1 H3* G 1 -3.435 -13.010 6.260
5 H2* G 1 H2* G 1 -1.805 -14.711 6.132
6 2HO* G 1 2HO G 1 -2.357 -15.519 8.806
7 H1* G 1 H1* G 1 -3.265 -16.799 7.095
8 H8 G 1 8H G 1 -5.647 -14.949 4.934
9 H1 G 1 1H G 1 -1.224 -17.960 1.461
10 1H2 G 1 1H2 G 1 0.471 -18.573 2.776
11 2H2 G 1 2H2 G 1 0.358 -18.502 4.520
12 H5T G 1 H5T G 1 -6.118 -11.852 6.023
13 1H5* G 2 1H5* G 2 0.137 -13.209 8.930
14 2H5* G 2 2H5* G 2 0.836 -11.578 8.953
15 H4* G 2 H4* G 2 2.619 -13.161 8.531
16 H3* G 2 H3* G 2 1.733 -11.396 6.248
17 H2* G 2 H2* G 2 3.216 -12.457 4.741
18 2HO* G 2 2HO G 2 4.480 -13.339 7.123
19 H1* G 2 H1* G 2 2.827 -15.031 5.504
20 H8 G 2 8H G 2 -0.410 -13.085 5.762
21 H1 G 2 1H G 2 0.879 -14.981 -0.184
22 1H2 G 2 1H2 G 2 2.919 -15.851 -0.279
23 2H2 G 2 2H2 G 2 4.027 -15.781 1.074
24 1H5* U 3 1H5* U 3 5.911 -11.339 6.066
25 2H5* U 3 2H5* U 3 6.544 -9.707 5.767
26 H4* U 3 H4* U 3 7.232 -11.292 3.993
27 H3* U 3 H3* U 3 5.385 -8.980 3.328
28 H2* U 3 H2* U 3 5.314 -9.663 1.061
29 2HO* U 3 2HO U 3 6.797 -11.534 0.479
30 H1* U 3 H1* U 3 5.129 -12.361 1.470
31 H3 U 3 3H U 3 1.084 -11.075 -0.108
32 H5 U 3 5H U 3 1.103 -9.723 3.884
33 H6 U 3 6H U 3 3.428 -10.410 4.034
34 1H5* U 4 1H5* U 4 8.769 -8.769 0.506
35 2H5* U 4 2H5* U 4 9.226 -7.071 0.262
36 H4* U 4 H4* U 4 8.690 -8.184 -1.884
37 H3* U 4 H3* U 4 6.885 -5.955 -0.882
38 H2* U 4 H2* U 4 5.577 -6.154 -2.833
39 2HO* U 4 2HO U 4 7.605 -7.783 -4.013
40 H1* U 4 H1* U 4 5.787 -8.921 -3.154
41 H3 U 4 3H U 4 1.371 -8.167 -2.582
42 H5 U 4 5H U 4 3.026 -7.374 1.212
43 H6 U 4 6H U 4 5.230 -7.643 0.234
44 1H5* C 5 1H5* C 5 8.170 -5.441 -5.152
45 2H5* C 5 2H5* C 5 8.763 -3.773 -5.288
46 H4* C 5 H4* C 5 7.313 -4.255 -7.183
47 H3* C 5 H3* C 5 6.211 -2.375 -5.067
48 H2* C 5 H2* C 5 4.251 -2.093 -6.372
49 2HO* C 5 2HO C 5 5.193 -1.775 -8.395
50 H1* C 5 H1* C 5 3.990 -4.713 -7.207
51 1H4 C 5 1H4 C 5 0.081 -3.942 -2.237
52 2H4 C 5 2H4 C 5 1.428 -4.052 -1.127
53 H5 C 5 5H C 5 3.726 -4.187 -1.849
54 H6 C 5 6H C 5 5.222 -4.218 -3.789
55 1H5* C 6 1H5* C 6 7.271 0.073 -8.720
56 2H5* C 6 2H5* C 6 6.990 1.811 -8.495
57 H4* C 6 H4* C 6 5.135 0.413 -9.656
58 H3* C 6 H3* C 6 4.758 2.383 -7.381
59 H2* C 6 H2* C 6 2.429 1.942 -7.371
60 2HO* C 6 2HO C 6 1.521 1.706 -9.266
61 H1* C 6 H1* C 6 2.551 -0.772 -7.719
62 1H4 C 6 1H4 C 6 3.824 0.378 -1.346
63 2H4 C 6 2H4 C 6 2.087 0.524 -1.472
64 H5 C 6 5H C 6 5.276 0.207 -3.266
65 H6 C 6 6H C 6 5.363 0.055 -5.710
66 1H5* C 7 1H5* C 7 2.726 4.631 -10.951
67 2H5* C 7 2H5* C 7 3.210 6.322 -10.711
68 H4* C 7 H4* C 7 0.750 6.088 -10.703
69 H3* C 7 H3* C 7 2.136 6.864 -8.107
70 H2* C 7 H2* C 7 0.016 7.075 -7.093
71 2HO* C 7 2HO C 7 -0.956 8.343 -8.720
72 H1* C 7 H1* C 7 -1.240 4.974 -8.438
73 1H4 C 7 1H4 C 7 0.024 3.133 -2.458
74 2H4 C 7 2H4 C 7 1.599 2.577 -2.978
75 H5 C 7 5H C 7 2.620 3.422 -5.018
76 H6 C 7 6H C 7 2.160 4.363 -7.228
77 1H5* C 8 1H5* C 8 -0.753 10.058 -9.333
78 2H5* C 8 2H5* C 8 -0.116 11.650 -8.872
79 H4* C 8 H4* C 8 -2.398 11.270 -7.967
80 H3* C 8 H3* C 8 -0.058 11.538 -6.050
81 H2* C 8 H2* C 8 -1.562 11.334 -4.230
82 2HO* C 8 2HO C 8 -3.673 11.839 -4.373
83 H1* C 8 H1* C 8 -3.183 9.385 -5.305
84 1H4 C 8 1H4 C 8 1.007 6.610 -1.377
85 2H4 C 8 2H4 C 8 2.132 6.438 -2.705
86 H5 C 8 5H C 8 1.899 7.695 -4.757
87 H6 C 8 6H C 8 0.349 8.982 -6.147
88 1H5* U 9 1H5* U 9 -3.396 13.498 -5.103
89 2H5* U 9 2H5* U 9 -3.316 15.131 -4.408
90 H4* U 9 H4* U 9 -4.650 13.587 -2.995
91 H3* U 9 H3* U 9 -2.029 14.682 -1.908
92 H2* U 9 H2* U 9 -2.461 13.560 0.135
93 2HO* U 9 2HO U 9 -5.141 13.519 -0.816
94 H1* U 9 H1* U 9 -3.611 11.272 -0.956
95 H3 U 9 3H U 9 0.132 9.804 1.108
96 H5 U 9 5H U 9 1.587 11.889 -2.251
97 H6 U 9 6H U 9 -0.686 12.613 -2.704
98 1H5* G 10 1H5* G 10 -4.722 16.439 0.983
99 2H5* G 10 2H5* G 10 -3.883 17.820 1.717
100 H4* G 10 H4* G 10 -4.074 15.758 3.185
101 H3* G 10 H3* G 10 -1.483 17.162 2.520
102 H2* G 10 H2* G 10 -0.209 15.528 3.694
103 2HO* G 10 2HO G 10 -2.723 14.638 4.734
104 H1* G 10 H1* G 10 -1.464 13.312 2.801
105 H8 G 10 8H G 10 -1.555 15.746 -0.051
106 H1 G 10 1H G 10 4.159 13.017 0.617
107 1H2 G 10 1H2 G 10 4.137 11.726 2.479
108 2H2 G 10 2H2 G 10 3.100 12.225 3.798
109 1H5* C 11 1H5* C 11 -1.858 19.164 6.657
110 2H5* C 11 2H5* C 11 -1.498 20.846 6.223
111 H4* C 11 H4* C 11 0.755 20.503 6.209
112 H3* C 11 H3* C 11 0.086 18.367 4.445
113 H2* C 11 H2* C 11 0.684 16.456 5.581
114 2HO* C 11 2HO C 11 2.836 16.977 6.973
115 H1* C 11 H1* C 11 1.348 17.241 8.164
116 1H4 C 11 1H4 C 11 -4.959 15.232 8.162
117 2H4 C 11 2H4 C 11 -4.030 13.920 8.855
118 H5 C 11 5H C 11 -3.465 15.934 6.068
119 H6 C 11 6H C 11 -1.380 17.154 5.667
120 1H5* A 12 1H5* A 12 4.086 18.955 5.857
121 2H5* A 12 2H5* A 12 5.539 18.845 4.842
122 H4* A 12 H4* A 12 6.317 17.538 6.543
123 H3* A 12 H3* A 12 4.560 15.746 4.860
124 H2* A 12 H2* A 12 4.564 14.074 6.468
125 2HO* A 12 2HO A 12 7.156 15.045 6.898
126 H1* A 12 H1* A 12 5.180 15.675 8.754
127 H8 A 12 8H A 12 2.232 15.101 6.307
128 1H6 A 12 1H6 A 12 -1.216 14.286 10.270
129 2H6 A 12 2H6 A 12 -0.647 12.682 10.674
130 H2 A 12 2H A 12 3.228 14.691 12.604
131 1H5* U 13 1H5* U 13 9.051 15.466 5.906
132 2H5* U 13 2H5* U 13 10.041 14.039 5.536
133 H4* U 13 H4* U 13 10.507 13.940 7.737
134 H3* U 13 H3* U 13 7.943 12.651 7.409
135 H2* U 13 H2* U 13 6.753 14.066 8.846
136 2HO* U 13 2HO U 13 8.288 13.239 11.029
137 H1* U 13 H1* U 13 9.276 14.849 10.314
138 H3 U 13 3H U 13 5.270 16.696 12.161
139 H5 U 13 5H U 13 6.950 19.371 9.372
140 H6 U 13 6H U 13 8.429 17.587 8.649
141 1H5* A 14 1H5* A 14 8.521 9.881 10.402
142 2H5* A 14 2H5* A 14 8.217 8.320 9.615
143 H4* A 14 H4* A 14 6.324 9.589 11.020
144 H3* A 14 H3* A 14 6.298 7.632 8.835
145 H2* A 14 H2* A 14 4.774 8.780 7.506
146 2HO* A 14 2HO A 14 2.626 8.727 8.338
147 H1* A 14 H1* A 14 3.888 10.559 9.756
148 H8 A 14 8H A 14 5.957 11.455 6.648
149 1H6 A 14 1H6 A 14 0.810 13.889 4.373
150 2H6 A 14 2H6 A 14 2.451 13.425 3.986
151 H2 A 14 2H A 14 -0.214 11.849 8.213
152 1H5* A 15 1H5* A 15 2.174 7.115 11.261
153 2H5* A 15 2H5* A 15 1.718 5.430 10.943
154 H4* A 15 H4* A 15 -0.051 7.090 10.293
155 H3* A 15 H3* A 15 1.222 5.226 8.268
156 H2* A 15 H2* A 15 -0.054 6.168 6.546
157 2HO* A 15 2HO A 15 -1.820 6.773 8.658
158 H1* A 15 H1* A 15 -0.234 8.786 7.522
159 H8 A 15 8H A 15 3.253 7.221 7.292
160 1H6 A 15 1H6 A 15 3.442 9.347 1.512
161 2H6 A 15 2H6 A 15 4.380 8.635 2.807
162 H2 A 15 2H A 15 -0.669 10.091 3.135
163 1H5* G 16 1H5* G 16 -3.073 5.486 8.454
164 2H5* G 16 2H5* G 16 -3.973 3.967 8.286
165 H4* G 16 H4* G 16 -4.935 5.772 6.879
166 H3* G 16 H3* G 16 -3.697 3.340 5.547
167 H2* G 16 H2* G 16 -4.209 4.230 3.434
168 2HO* G 16 2HO G 16 -6.175 5.708 4.864
169 H1* G 16 H1* G 16 -3.967 6.960 4.084
170 H8 G 16 8H G 16 -1.064 4.633 4.939
171 H1 G 16 1H G 16 -0.847 6.933 -0.999
172 1H2 G 16 1H2 G 16 -2.916 7.731 -1.526
173 2H2 G 16 2H2 G 16 -3.842 8.452 -0.229
174 1H5* G 17 1H5* G 17 -7.548 4.614 4.539
175 2H5* G 17 2H5* G 17 -8.832 3.468 4.111
176 H4* G 17 H4* G 17 -8.633 5.273 2.431
177 H3* G 17 H3* G 17 -8.032 2.406 1.693
178 H2* G 17 H2* G 17 -7.353 3.010 -0.466
179 2HO* G 17 2HO G 17 -9.434 4.363 -0.556
180 H1* G 17 H1* G 17 -6.379 5.591 0.067
181 H8 G 17 8H G 17 -5.118 2.629 2.129
182 H1 G 17 1H G 17 -1.691 3.790 -3.123
183 1H2 G 17 1H2 G 17 -2.771 5.231 -4.427
184 2H2 G 17 2H2 G 17 -4.204 6.078 -3.888
185 1H5* A 18 1H5* A 18 -8.728 3.904 -2.132
186 2H5* A 18 2H5* A 18 -10.358 3.291 -2.479
187 H4* A 18 H4* A 18 -9.278 2.314 -4.234
188 H3* A 18 H3* A 18 -9.411 0.529 -1.937
189 H2* A 18 H2* A 18 -7.161 -0.049 -1.985
190 2HO* A 18 2HO A 18 -8.530 -1.525 -3.720
191 H1* A 18 H1* A 18 -6.958 0.822 -4.884
192 H8 A 18 8H A 18 -5.341 1.166 -1.369
193 1H6 A 18 1H6 A 18 0.045 0.371 -4.241
194 2H6 A 18 2H6 A 18 -0.715 0.766 -2.718
195 H2 A 18 2H A 18 -3.195 0.459 -7.360
196 1H5* U 19 1H5* U 19 -11.152 -2.804 -1.353
197 2H5* U 19 2H5* U 19 -9.698 -1.813 -1.588
198 H4* U 19 H4* U 19 -8.843 -3.805 -3.031
199 H3* U 19 H3* U 19 -11.286 -4.974 -1.677
200 H2* U 19 H2* U 19 -10.118 -6.953 -1.126
201 2HO* U 19 2HO U 19 -8.922 -7.627 -2.762
202 H1* U 19 H1* U 19 -7.753 -5.825 -0.367
203 H3 U 19 3H U 19 -10.135 -7.491 3.215
204 H5 U 19 5H U 19 -11.372 -3.488 2.742
205 H6 U 19 6H U 19 -10.165 -3.433 0.638
206 1H5* G 20 1H5* G 20 -9.551 -3.252 -5.911
207 2H5* G 20 2H5* G 20 -10.462 -3.743 -7.352
208 H4* G 20 H4* G 20 -8.523 -3.759 -8.481
209 H3* G 20 H3* G 20 -8.445 -6.214 -6.890
210 H2* G 20 H2* G 20 -6.346 -5.894 -6.017
211 2HO* G 20 2HO G 20 -5.853 -7.134 -7.944
212 H1* G 20 H1* G 20 -5.616 -3.739 -7.980
213 H8 G 20 8H G 20 -6.457 -2.919 -4.427
214 H1 G 20 1H G 20 -0.238 -4.087 -5.196
215 1H2 G 20 1H2 G 20 0.136 -4.886 -7.228
216 2H2 G 20 2H2 G 20 -1.136 -5.069 -8.415
217 1H5* A 21 1H5* A 21 -5.655 -6.696 -10.195
218 2H5* A 21 2H5* A 21 -5.916 -8.220 -11.067
219 H4* A 21 H4* A 21 -3.632 -8.306 -10.596
220 H3* A 21 H3* A 21 -5.101 -9.668 -8.298
221 H2* A 21 H2* A 21 -2.995 -10.146 -7.371
222 2HO* A 21 2HO A 21 -2.299 -10.303 -10.018
223 H1* A 21 H1* A 21 -1.670 -7.850 -8.401
224 H8 A 21 8H A 21 -4.749 -7.225 -6.308
225 1H6 A 21 1H6 A 21 -1.093 -7.304 -1.369
226 2H6 A 21 2H6 A 21 -2.732 -7.075 -1.934
227 H2 A 21 2H A 21 1.314 -8.682 -4.898
228 1H5* A 22 1H5* A 22 -2.087 -12.151 -10.444
229 2H5* A 22 2H5* A 22 -2.510 -13.874 -10.453
230 H4* A 22 H4* A 22 -0.174 -13.491 -9.699
231 H3* A 22 H3* A 22 -2.184 -14.622 -7.713
232 H2* A 22 H2* A 22 -0.486 -14.746 -6.106
233 2HO* A 22 2HO A 22 1.112 -15.082 -8.379
234 H1* A 22 H1* A 22 1.072 -12.569 -7.047
235 H8 A 22 8H A 22 -2.564 -11.873 -6.157
236 1H6 A 22 1H6 A 22 -0.577 -10.592 -0.512
237 2H6 A 22 2H6 A 22 -2.022 -11.065 -1.378
238 H2 A 22 2H A 22 2.806 -12.595 -2.768
239 1H5* C 23 1H5* C 23 1.533 -17.044 -8.672
240 2H5* C 23 2H5* C 23 1.279 -18.781 -8.419
241 H4* C 23 H4* C 23 3.362 -17.998 -7.344
242 H3* C 23 H3* C 23 1.099 -18.994 -5.578
243 H2* C 23 H2* C 23 2.499 -18.671 -3.683
244 2HO* C 23 2HO C 23 4.449 -19.474 -4.268
245 H1* C 23 H1* C 23 3.571 -16.265 -4.433
246 1H4 C 23 1H4 C 23 -1.516 -15.229 -0.671
247 2H4 C 23 2H4 C 23 -2.469 -14.954 -2.111
248 H5 C 23 5H C 23 -1.818 -16.188 -4.157
249 H6 C 23 6H C 23 0.121 -16.814 -5.509
250 1H5* C 24 1H5* C 24 4.179 -21.484 -4.255
251 2H5* C 24 2H5* C 24 3.567 -23.135 -4.011
252 H4* C 24 H4* C 24 4.304 -22.120 -1.879
253 H3* C 24 H3* C 24 1.360 -22.683 -2.313
254 H2* C 24 H2* C 24 0.867 -21.925 -0.157
255 2HO* C 24 2HO C 24 3.186 -21.395 1.000
256 H1* C 24 H1* C 24 2.725 -19.855 -0.082
257 1H4 C 24 1H4 C 24 -2.951 -17.202 -1.157
258 2H4 C 24 2H4 C 24 -2.804 -17.556 -2.864
259 H5 C 24 5H C 24 -1.042 -18.931 -3.782
260 H6 C 24 6H C 24 0.999 -20.183 -3.267
261 H3T C 24 H3T C 24 2.178 -24.238 -0.536
Start of MODEL 6
1 1H5* G 1 1H5* G 1 -6.760 -13.805 7.878
2 2H5* G 1 2H5* G 1 -5.934 -12.265 8.191
3 H4* G 1 H4* G 1 -4.540 -13.918 9.167
4 H3* G 1 H3* G 1 -3.601 -12.908 6.479
5 H2* G 1 H2* G 1 -1.801 -14.441 6.439
6 2HO* G 1 2HO G 1 -1.168 -15.587 8.326
7 H1* G 1 H1* G 1 -3.082 -16.631 7.410
8 H8 G 1 8H G 1 -5.552 -14.871 5.215
9 H1 G 1 1H G 1 -1.099 -17.931 1.827
10 1H2 G 1 1H2 G 1 0.480 -18.712 3.199
11 2H2 G 1 2H2 G 1 0.599 -18.175 4.859
12 H5T G 1 H5T G 1 -6.763 -12.728 5.979
13 1H5* G 2 1H5* G 2 -0.029 -12.499 9.090
14 2H5* G 2 2H5* G 2 0.477 -10.800 9.011
15 H4* G 2 H4* G 2 2.418 -12.167 8.576
16 H3* G 2 H3* G 2 1.218 -10.684 6.234
17 H2* G 2 H2* G 2 2.752 -11.659 4.722
18 2HO* G 2 2HO G 2 4.670 -12.558 5.359
19 H1* G 2 H1* G 2 2.719 -14.203 5.663
20 H8 G 2 8H G 2 -0.710 -12.610 5.964
21 H1 G 2 1H G 2 0.513 -14.800 0.105
22 1H2 G 2 1H2 G 2 2.637 -15.417 -0.049
23 2H2 G 2 2H2 G 2 3.768 -15.232 1.275
24 1H5* U 3 1H5* U 3 5.463 -10.275 6.176
25 2H5* U 3 2H5* U 3 6.013 -8.631 5.795
26 H4* U 3 H4* U 3 7.019 -10.306 4.274
27 H3* U 3 H3* U 3 5.147 -8.182 3.206
28 H2* U 3 H2* U 3 5.308 -9.065 1.012
29 2HO* U 3 2HO U 3 7.751 -9.839 1.899
30 H1* U 3 H1* U 3 5.156 -11.715 1.630
31 H3 U 3 3H U 3 1.168 -10.680 -0.238
32 H5 U 3 5H U 3 0.929 -9.074 3.652
33 H6 U 3 6H U 3 3.265 -9.662 3.965
34 1H5* U 4 1H5* U 4 8.578 -8.040 0.584
35 2H5* U 4 2H5* U 4 8.999 -6.352 0.229
36 H4* U 4 H4* U 4 8.510 -7.630 -1.839
37 H3* U 4 H3* U 4 6.666 -5.360 -1.015
38 H2* U 4 H2* U 4 5.352 -5.733 -2.929
39 2HO* U 4 2HO U 4 6.188 -6.970 -4.718
40 H1* U 4 H1* U 4 5.671 -8.512 -3.092
41 H3 U 4 3H U 4 1.219 -7.884 -2.700
42 H5 U 4 5H U 4 2.720 -6.800 1.086
43 H6 U 4 6H U 4 4.963 -7.050 0.195
44 1H5* C 5 1H5* C 5 8.270 -5.040 -5.347
45 2H5* C 5 2H5* C 5 8.638 -3.319 -5.574
46 H4* C 5 H4* C 5 7.352 -4.255 -7.481
47 H3* C 5 H3* C 5 6.140 -2.095 -5.731
48 H2* C 5 H2* C 5 4.171 -2.120 -7.024
49 2HO* C 5 2HO C 5 4.454 -3.610 -9.090
50 H1* C 5 H1* C 5 4.084 -4.843 -7.586
51 1H4 C 5 1H4 C 5 -0.190 -3.757 -2.995
52 2H4 C 5 2H4 C 5 1.084 -3.599 -1.807
53 H5 C 5 5H C 5 3.426 -3.836 -2.350
54 H6 C 5 6H C 5 5.049 -3.957 -4.177
55 1H5* C 6 1H5* C 6 6.778 -0.029 -9.650
56 2H5* C 6 2H5* C 6 6.464 1.707 -9.451
57 H4* C 6 H4* C 6 4.572 0.224 -10.434
58 H3* C 6 H3* C 6 4.320 2.273 -8.219
59 H2* C 6 H2* C 6 2.019 1.760 -7.956
60 2HO* C 6 2HO C 6 1.815 -0.089 -10.016
61 H1* C 6 H1* C 6 2.197 -0.949 -8.131
62 1H4 C 6 1H4 C 6 4.320 0.777 -2.107
63 2H4 C 6 2H4 C 6 2.582 0.648 -1.959
64 H5 C 6 5H C 6 5.493 0.458 -4.188
65 H6 C 6 6H C 6 5.241 0.103 -6.600
66 1H5* C 7 1H5* C 7 1.482 4.258 -11.424
67 2H5* C 7 2H5* C 7 1.999 5.947 -11.255
68 H4* C 7 H4* C 7 -0.435 5.690 -10.861
69 H3* C 7 H3* C 7 1.337 6.506 -8.524
70 H2* C 7 H2* C 7 -0.616 6.740 -7.210
71 2HO* C 7 2HO C 7 -2.159 6.574 -9.611
72 H1* C 7 H1* C 7 -2.030 4.594 -8.300
73 1H4 C 7 1H4 C 7 0.155 2.852 -2.567
74 2H4 C 7 2H4 C 7 1.687 2.408 -3.285
75 H5 C 7 5H C 7 2.351 3.205 -5.478
76 H6 C 7 6H C 7 1.538 4.107 -7.606
77 1H5* C 8 1H5* C 8 -1.808 9.511 -9.352
78 2H5* C 8 2H5* C 8 -1.236 11.156 -9.010
79 H4* C 8 H4* C 8 -3.349 10.639 -7.808
80 H3* C 8 H3* C 8 -0.820 11.103 -6.183
81 H2* C 8 H2* C 8 -2.138 10.915 -4.212
82 2HO* C 8 2HO C 8 -4.592 10.579 -4.778
83 H1* C 8 H1* C 8 -3.690 8.804 -5.052
84 1H4 C 8 1H4 C 8 1.051 6.493 -1.474
85 2H4 C 8 2H4 C 8 2.087 6.423 -2.882
86 H5 C 8 5H C 8 1.541 7.531 -4.957
87 H6 C 8 6H C 8 -0.238 8.631 -6.232
88 1H5* U 9 1H5* U 9 -4.002 12.779 -4.817
89 2H5* U 9 2H5* U 9 -3.983 14.415 -4.131
90 H4* U 9 H4* U 9 -4.890 12.733 -2.536
91 H3* U 9 H3* U 9 -2.272 14.134 -1.853
92 H2* U 9 H2* U 9 -2.277 12.987 0.215
93 2HO* U 9 2HO U 9 -4.167 13.101 1.175
94 H1* U 9 H1* U 9 -3.491 10.620 -0.710
95 H3 U 9 3H U 9 0.475 9.430 1.150
96 H5 U 9 5H U 9 1.535 11.207 -2.518
97 H6 U 9 6H U 9 -0.778 11.882 -2.786
98 1H5* G 10 1H5* G 10 -4.845 15.643 1.360
99 2H5* G 10 2H5* G 10 -4.051 17.075 2.046
100 H4* G 10 H4* G 10 -3.965 14.913 3.439
101 H3* G 10 H3* G 10 -1.669 16.733 2.749
102 H2* G 10 H2* G 10 -0.048 15.258 3.629
103 2HO* G 10 2HO G 10 -1.939 13.490 4.740
104 H1* G 10 H1* G 10 -1.087 12.878 2.817
105 H8 G 10 8H G 10 -1.657 15.222 -0.036
106 H1 G 10 1H G 10 4.418 13.350 0.390
107 1H2 G 10 1H2 G 10 4.614 12.018 2.260
108 2H2 G 10 2H2 G 10 3.688 12.572 3.638
109 1H5* C 11 1H5* C 11 -1.653 16.873 7.208
110 2H5* C 11 2H5* C 11 -1.473 18.548 7.771
111 H4* C 11 H4* C 11 0.434 17.022 8.407
112 H3* C 11 H3* C 11 0.546 19.677 7.268
113 H2* C 11 H2* C 11 2.063 19.284 5.587
114 2HO* C 11 2HO C 11 3.557 19.979 7.141
115 H1* C 11 H1* C 11 3.044 16.681 6.591
116 1H4 C 11 1H4 C 11 2.758 17.381 0.015
117 2H4 C 11 2H4 C 11 3.649 15.902 0.302
118 H5 C 11 5H C 11 0.963 17.833 1.727
119 H6 C 11 6H C 11 0.618 18.013 4.134
120 1H5* A 12 1H5* A 12 3.454 17.231 9.011
121 2H5* A 12 2H5* A 12 4.135 17.748 10.567
122 H4* A 12 H4* A 12 6.424 17.695 9.482
123 H3* A 12 H3* A 12 5.016 17.473 7.073
124 H2* A 12 H2* A 12 4.579 15.217 6.758
125 2HO* A 12 2HO A 12 6.596 13.809 7.514
126 H1* A 12 H1* A 12 5.380 13.887 9.019
127 H8 A 12 8H A 12 2.600 14.692 7.199
128 1H6 A 12 1H6 A 12 -1.014 15.640 10.609
129 2H6 A 12 2H6 A 12 -1.022 14.500 11.935
130 H2 A 12 2H A 12 3.242 15.345 13.518
131 1H5* U 13 1H5* U 13 10.058 16.519 7.380
132 2H5* U 13 2H5* U 13 10.665 15.138 6.444
133 H4* U 13 H4* U 13 11.237 14.519 8.614
134 H3* U 13 H3* U 13 8.912 13.173 7.524
135 H2* U 13 H2* U 13 7.501 13.603 9.335
136 2HO* U 13 2HO U 13 7.636 11.958 10.702
137 H1* U 13 H1* U 13 9.837 14.072 11.185
138 H3 U 13 3H U 13 5.835 14.385 13.627
139 H5 U 13 5H U 13 6.535 18.094 11.749
140 H6 U 13 6H U 13 8.284 17.029 10.446
141 1H5* A 14 1H5* A 14 9.432 10.395 10.104
142 2H5* A 14 2H5* A 14 9.129 8.758 9.490
143 H4* A 14 H4* A 14 7.261 10.087 10.836
144 H3* A 14 H3* A 14 7.194 8.008 8.767
145 H2* A 14 H2* A 14 5.629 9.079 7.422
146 2HO* A 14 2HO A 14 4.270 8.341 9.760
147 H1* A 14 H1* A 14 4.792 10.932 9.647
148 H8 A 14 8H A 14 6.671 11.891 6.461
149 1H6 A 14 1H6 A 14 1.239 13.701 4.208
150 2H6 A 14 2H6 A 14 2.965 13.656 3.927
151 H2 A 14 2H A 14 0.510 11.719 8.151
152 1H5* A 15 1H5* A 15 3.128 7.657 11.314
153 2H5* A 15 2H5* A 15 2.649 5.962 11.107
154 H4* A 15 H4* A 15 0.877 7.599 10.411
155 H3* A 15 H3* A 15 2.082 5.625 8.443
156 H2* A 15 H2* A 15 0.711 6.468 6.739
157 2HO* A 15 2HO A 15 -0.955 7.119 8.903
158 H1* A 15 H1* A 15 0.575 9.136 7.600
159 H8 A 15 8H A 15 4.050 7.579 7.248
160 1H6 A 15 1H6 A 15 3.857 9.267 1.328
161 2H6 A 15 2H6 A 15 4.915 8.780 2.636
162 H2 A 15 2H A 15 -0.123 10.207 3.168
163 1H5* G 16 1H5* G 16 -2.243 5.765 8.791
164 2H5* G 16 2H5* G 16 -3.052 4.186 8.790
165 H4* G 16 H4* G 16 -4.185 5.801 7.285
166 H3* G 16 H3* G 16 -2.846 3.345 6.108
167 H2* G 16 H2* G 16 -3.458 4.026 3.954
168 2HO* G 16 2HO G 16 -5.499 4.524 3.770
169 H1* G 16 H1* G 16 -3.479 6.824 4.410
170 H8 G 16 8H G 16 -0.299 4.857 5.179
171 H1 G 16 1H G 16 -0.724 6.809 -0.872
172 1H2 G 16 1H2 G 16 -2.926 7.315 -1.285
173 2H2 G 16 2H2 G 16 -3.785 8.078 0.031
174 1H5* G 17 1H5* G 17 -6.873 4.265 5.189
175 2H5* G 17 2H5* G 17 -8.061 2.969 4.945
176 H4* G 17 H4* G 17 -8.133 4.621 3.104
177 H3* G 17 H3* G 17 -7.280 1.767 2.581
178 H2* G 17 H2* G 17 -6.812 2.237 0.334
179 2HO* G 17 2HO G 17 -8.579 4.465 0.655
180 H1* G 17 H1* G 17 -6.120 4.963 0.591
181 H8 G 17 8H G 17 -4.335 2.343 2.727
182 H1 G 17 1H G 17 -1.547 3.445 -2.903
183 1H2 G 17 1H2 G 17 -2.829 4.775 -4.134
184 2H2 G 17 2H2 G 17 -4.429 5.263 -3.624
185 1H5* A 18 1H5* A 18 -8.578 2.885 -1.326
186 2H5* A 18 2H5* A 18 -10.134 2.031 -1.393
187 H4* A 18 H4* A 18 -9.186 1.031 -3.199
188 H3* A 18 H3* A 18 -8.652 -0.512 -0.785
189 H2* A 18 H2* A 18 -6.372 -0.724 -1.175
190 2HO* A 18 2HO A 18 -5.913 -2.366 -2.702
191 H1* A 18 H1* A 18 -6.787 -0.130 -4.120
192 H8 A 18 8H A 18 -4.699 0.773 -0.974
193 1H6 A 18 1H6 A 18 0.187 0.668 -4.722
194 2H6 A 18 2H6 A 18 -0.337 0.752 -3.055
195 H2 A 18 2H A 18 -3.485 -0.111 -7.198
196 1H5* U 19 1H5* U 19 -9.326 -3.742 -4.513
197 2H5* U 19 2H5* U 19 -10.686 -4.576 -3.736
198 H4* U 19 H4* U 19 -8.224 -5.690 -4.723
199 H3* U 19 H3* U 19 -10.772 -6.734 -3.448
200 H2* U 19 H2* U 19 -9.738 -8.806 -3.025
201 2HO* U 19 2HO U 19 -8.703 -9.500 -4.755
202 H1* U 19 H1* U 19 -7.188 -7.883 -2.434
203 H3 U 19 3H U 19 -8.995 -9.972 1.220
204 H5 U 19 5H U 19 -10.512 -6.041 1.308
205 H6 U 19 6H U 19 -9.570 -5.699 -0.902
206 1H5* G 20 1H5* G 20 -9.823 -2.979 -7.353
207 2H5* G 20 2H5* G 20 -10.538 -4.324 -8.266
208 H4* G 20 H4* G 20 -8.509 -4.037 -9.366
209 H3* G 20 H3* G 20 -8.562 -6.254 -7.448
210 H2* G 20 H2* G 20 -6.470 -5.877 -6.565
211 2HO* G 20 2HO G 20 -5.064 -5.899 -8.915
212 H1* G 20 H1* G 20 -5.641 -4.001 -8.764
213 H8 G 20 8H G 20 -6.591 -2.880 -5.285
214 H1 G 20 1H G 20 -0.320 -3.837 -5.915
215 1H2 G 20 1H2 G 20 0.108 -4.798 -7.867
216 2H2 G 20 2H2 G 20 -1.134 -5.065 -9.070
217 1H5* A 21 1H5* A 21 -5.701 -7.153 -10.534
218 2H5* A 21 2H5* A 21 -5.937 -8.744 -11.285
219 H4* A 21 H4* A 21 -3.672 -8.792 -10.730
220 H3* A 21 H3* A 21 -5.232 -9.964 -8.392
221 H2* A 21 H2* A 21 -3.177 -10.348 -7.326
222 2HO* A 21 2HO A 21 -1.630 -9.873 -9.633
223 H1* A 21 H1* A 21 -1.791 -8.160 -8.504
224 H8 A 21 8H A 21 -4.964 -7.407 -6.546
225 1H6 A 21 1H6 A 21 -1.394 -6.966 -1.553
226 2H6 A 21 2H6 A 21 -3.024 -6.800 -2.169
227 H2 A 21 2H A 21 1.125 -8.523 -4.926
228 1H5* A 22 1H5* A 22 -2.125 -12.531 -10.361
229 2H5* A 22 2H5* A 22 -2.498 -14.263 -10.268
230 H4* A 22 H4* A 22 -0.159 -13.780 -9.592
231 H3* A 22 H3* A 22 -2.099 -14.854 -7.509
232 H2* A 22 H2* A 22 -0.378 -14.836 -5.920
233 2HO* A 22 2HO A 22 1.490 -14.715 -8.083
234 H1* A 22 H1* A 22 1.104 -12.673 -7.001
235 H8 A 22 8H A 22 -2.541 -12.030 -6.128
236 1H6 A 22 1H6 A 22 -0.571 -10.485 -0.514
237 2H6 A 22 2H6 A 22 -1.994 -10.765 -1.491
238 H2 A 22 2H A 22 2.868 -12.371 -2.740
239 1H5* C 23 1H5* C 23 1.676 -17.100 -8.333
240 2H5* C 23 2H5* C 23 1.536 -18.844 -8.045
241 H4* C 23 H4* C 23 3.555 -17.930 -6.975
242 H3* C 23 H3* C 23 1.331 -18.964 -5.181
243 H2* C 23 H2* C 23 2.709 -18.511 -3.299
244 2HO* C 23 2HO C 23 4.646 -19.266 -4.771
245 H1* C 23 H1* C 23 3.685 -16.087 -4.143
246 1H4 C 23 1H4 C 23 -1.451 -15.232 -0.381
247 2H4 C 23 2H4 C 23 -2.348 -14.821 -1.825
248 H5 C 23 5H C 23 -1.701 -16.239 -3.824
249 H6 C 23 6H C 23 0.255 -16.821 -5.172
250 1H5* C 24 1H5* C 24 4.509 -21.284 -3.785
251 2H5* C 24 2H5* C 24 3.969 -22.953 -3.504
252 H4* C 24 H4* C 24 4.657 -21.860 -1.393
253 H3* C 24 H3* C 24 1.736 -22.551 -1.818
254 H2* C 24 H2* C 24 1.223 -21.780 0.332
255 2HO* C 24 2HO C 24 3.964 -22.249 0.790
256 H1* C 24 H1* C 24 2.963 -19.616 0.344
257 1H4 C 24 1H4 C 24 -2.856 -17.340 -0.820
258 2H4 C 24 2H4 C 24 -2.673 -17.711 -2.521
259 H5 C 24 5H C 24 -0.820 -18.994 -3.400
260 H6 C 24 6H C 24 1.292 -20.103 -2.844
261 H3T C 24 H3T C 24 3.602 -24.101 -1.537
Start of MODEL 7
1 1H5* G 1 1H5* G 1 -5.932 -14.034 8.322
2 2H5* G 1 2H5* G 1 -4.893 -12.596 8.378
3 H4* G 1 H4* G 1 -3.632 -14.537 9.148
4 H3* G 1 H3* G 1 -2.899 -13.277 6.502
5 H2* G 1 H2* G 1 -1.265 -14.916 6.077
6 2HO* G 1 2HO G 1 -0.728 -14.705 8.562
7 H1* G 1 H1* G 1 -2.550 -17.114 7.106
8 H8 G 1 8H G 1 -5.064 -15.151 5.151
9 H1 G 1 1H G 1 -1.040 -18.337 1.362
10 1H2 G 1 1H2 G 1 0.524 -19.339 2.636
11 2H2 G 1 2H2 G 1 0.903 -18.685 4.214
12 H5T G 1 H5T G 1 -4.635 -12.713 6.177
13 1H5* G 2 1H5* G 2 0.917 -13.657 8.817
14 2H5* G 2 2H5* G 2 1.529 -11.999 8.983
15 H4* G 2 H4* G 2 3.392 -13.334 8.298
16 H3* G 2 H3* G 2 2.162 -11.597 6.157
17 H2* G 2 H2* G 2 3.606 -12.468 4.499
18 2HO* G 2 2HO G 2 5.109 -14.015 6.309
19 H1* G 2 H1* G 2 3.517 -15.089 5.191
20 H8 G 2 8H G 2 0.193 -13.327 5.767
21 H1 G 2 1H G 2 1.002 -15.265 -0.250
22 1H2 G 2 1H2 G 2 3.064 -16.041 -0.529
23 2H2 G 2 2H2 G 2 4.289 -15.900 0.712
24 1H5* U 3 1H5* U 3 6.350 -11.379 5.816
25 2H5* U 3 2H5* U 3 6.951 -9.739 5.496
26 H4* U 3 H4* U 3 7.679 -11.337 3.748
27 H3* U 3 H3* U 3 5.812 -9.054 3.054
28 H2* U 3 H2* U 3 5.732 -9.765 0.792
29 2HO* U 3 2HO U 3 7.438 -10.651 -0.099
30 H1* U 3 H1* U 3 5.503 -12.447 1.238
31 H3 U 3 3H U 3 1.396 -11.192 -0.156
32 H5 U 3 5H U 3 1.630 -9.700 3.780
33 H6 U 3 6H U 3 3.952 -10.409 3.839
34 1H5* U 4 1H5* U 4 8.974 -8.853 0.118
35 2H5* U 4 2H5* U 4 9.425 -7.161 -0.169
36 H4* U 4 H4* U 4 8.680 -8.275 -2.255
37 H3* U 4 H3* U 4 7.015 -6.011 -1.095
38 H2* U 4 H2* U 4 5.514 -6.201 -2.896
39 2HO* U 4 2HO U 4 6.175 -6.700 -4.865
40 H1* U 4 H1* U 4 5.694 -8.973 -3.261
41 H3 U 4 3H U 4 1.335 -8.224 -2.358
42 H5 U 4 5H U 4 3.263 -7.439 1.304
43 H6 U 4 6H U 4 5.390 -7.692 0.162
44 1H5* C 5 1H5* C 5 8.173 -5.467 -5.488
45 2H5* C 5 2H5* C 5 8.587 -3.752 -5.689
46 H4* C 5 H4* C 5 7.050 -4.557 -7.469
47 H3* C 5 H3* C 5 6.138 -2.430 -5.508
48 H2* C 5 H2* C 5 4.048 -2.309 -6.597
49 2HO* C 5 2HO C 5 4.827 -3.953 -8.748
50 H1* C 5 H1* C 5 3.778 -5.004 -7.226
51 1H4 C 5 1H4 C 5 0.062 -3.805 -2.193
52 2H4 C 5 2H4 C 5 1.438 -3.956 -1.124
53 H5 C 5 5H C 5 3.709 -4.160 -1.922
54 H6 C 5 6H C 5 5.133 -4.288 -3.909
55 1H5* C 6 1H5* C 6 6.737 -0.279 -9.452
56 2H5* C 6 2H5* C 6 6.494 1.467 -9.247
57 H4* C 6 H4* C 6 4.500 0.047 -10.117
58 H3* C 6 H3* C 6 4.424 2.089 -7.874
59 H2* C 6 H2* C 6 2.105 1.671 -7.572
60 2HO* C 6 2HO C 6 2.191 1.163 -10.188
61 H1* C 6 H1* C 6 2.190 -1.048 -7.774
62 1H4 C 6 1H4 C 6 4.420 0.482 -1.745
63 2H4 C 6 2H4 C 6 2.682 0.620 -1.612
64 H5 C 6 5H C 6 5.563 0.160 -3.843
65 H6 C 6 6H C 6 5.278 -0.155 -6.257
66 1H5* C 7 1H5* C 7 1.953 4.161 -11.217
67 2H5* C 7 2H5* C 7 2.441 5.868 -11.166
68 H4* C 7 H4* C 7 0.004 5.606 -10.816
69 H3* C 7 H3* C 7 1.715 6.639 -8.525
70 H2* C 7 H2* C 7 -0.233 6.890 -7.226
71 2HO* C 7 2HO C 7 -1.274 7.806 -9.359
72 H1* C 7 H1* C 7 -1.652 4.698 -8.248
73 1H4 C 7 1H4 C 7 0.266 3.236 -2.350
74 2H4 C 7 2H4 C 7 1.818 2.735 -2.980
75 H5 C 7 5H C 7 2.555 3.290 -5.212
76 H6 C 7 6H C 7 1.847 4.089 -7.416
77 1H5* C 8 1H5* C 8 -1.456 9.613 -9.463
78 2H5* C 8 2H5* C 8 -0.829 11.257 -9.227
79 H4* C 8 H4* C 8 -2.879 10.851 -7.885
80 H3* C 8 H3* C 8 -0.237 11.345 -6.477
81 H2* C 8 H2* C 8 -1.312 11.155 -4.392
82 2HO* C 8 2HO C 8 -3.527 11.434 -4.139
83 H1* C 8 H1* C 8 -3.141 9.173 -5.063
84 1H4 C 8 1H4 C 8 1.527 6.520 -1.637
85 2H4 C 8 2H4 C 8 2.522 6.390 -3.070
86 H5 C 8 5H C 8 2.012 7.576 -5.114
87 H6 C 8 6H C 8 0.279 8.796 -6.341
88 1H5* U 9 1H5* U 9 -3.663 13.683 -5.294
89 2H5* U 9 2H5* U 9 -3.331 15.352 -4.791
90 H4* U 9 H4* U 9 -4.713 14.146 -3.122
91 H3* U 9 H3* U 9 -1.903 15.020 -2.375
92 H2* U 9 H2* U 9 -2.239 14.155 -0.191
93 2HO* U 9 2HO U 9 -4.621 13.321 0.119
94 H1* U 9 H1* U 9 -3.658 11.890 -0.910
95 H3 U 9 3H U 9 0.208 10.285 0.778
96 H5 U 9 5H U 9 1.357 11.992 -2.897
97 H6 U 9 6H U 9 -0.897 12.867 -3.119
98 1H5* G 10 1H5* G 10 -4.141 17.132 0.639
99 2H5* G 10 2H5* G 10 -3.110 18.437 1.259
100 H4* G 10 H4* G 10 -3.398 16.415 2.792
101 H3* G 10 H3* G 10 -0.739 17.571 1.924
102 H2* G 10 H2* G 10 0.439 15.874 3.117
103 2HO* G 10 2HO G 10 -2.100 15.402 4.322
104 H1* G 10 H1* G 10 -1.005 13.764 2.280
105 H8 G 10 8H G 10 -1.148 16.077 -0.618
106 H1 G 10 1H G 10 4.627 13.464 0.008
107 1H2 G 10 1H2 G 10 4.604 12.162 1.920
108 2H2 G 10 2H2 G 10 3.739 12.892 3.254
109 1H5* C 11 1H5* C 11 -1.050 20.261 6.062
110 2H5* C 11 2H5* C 11 0.395 21.164 5.564
111 H4* C 11 H4* C 11 1.715 19.540 6.378
112 H3* C 11 H3* C 11 0.233 18.003 4.278
113 H2* C 11 H2* C 11 0.383 15.967 5.359
114 2HO* C 11 2HO C 11 2.439 15.474 5.454
115 H1* C 11 H1* C 11 1.061 16.843 8.008
116 1H4 C 11 1H4 C 11 -4.978 14.710 8.842
117 2H4 C 11 2H4 C 11 -4.546 13.516 7.638
118 H5 C 11 5H C 11 -3.757 15.571 5.845
119 H6 C 11 6H C 11 -1.654 16.768 5.455
120 1H5* A 12 1H5* A 12 5.176 17.901 4.757
121 2H5* A 12 2H5* A 12 5.985 16.350 4.454
122 H4* A 12 H4* A 12 5.839 17.576 6.906
123 H3* A 12 H3* A 12 6.311 14.760 5.970
124 H2* A 12 H2* A 12 5.519 13.842 7.948
125 2HO* A 12 2HO A 12 6.405 15.657 9.771
126 H1* A 12 H1* A 12 4.781 16.434 9.156
127 H8 A 12 8H A 12 1.980 14.974 7.326
128 1H6 A 12 1H6 A 12 0.055 12.485 12.119
129 2H6 A 12 2H6 A 12 0.531 11.318 10.907
130 H2 A 12 2H A 12 4.704 13.297 12.866
131 1H5* U 13 1H5* U 13 8.130 15.241 9.277
132 2H5* U 13 2H5* U 13 9.796 15.848 9.200
133 H4* U 13 H4* U 13 10.597 13.681 10.124
134 H3* U 13 H3* U 13 8.214 12.588 9.332
135 H2* U 13 H2* U 13 6.708 13.513 10.860
136 2HO* U 13 2HO U 13 8.100 11.623 12.490
137 H1* U 13 H1* U 13 8.494 13.807 13.184
138 H3 U 13 3H U 13 4.628 16.118 14.050
139 H5 U 13 5H U 13 6.666 18.403 11.156
140 H6 U 13 6H U 13 8.278 16.598 10.960
141 1H5* A 14 1H5* A 14 9.287 8.824 8.743
142 2H5* A 14 2H5* A 14 8.720 9.525 7.213
143 H4* A 14 H4* A 14 7.600 10.061 9.992
144 H3* A 14 H3* A 14 6.978 8.090 7.962
145 H2* A 14 H2* A 14 5.465 9.402 6.768
146 2HO* A 14 2HO A 14 3.416 9.535 7.830
147 H1* A 14 H1* A 14 4.958 11.250 9.064
148 H8 A 14 8H A 14 6.834 12.289 5.971
149 1H6 A 14 1H6 A 14 1.549 14.503 3.792
150 2H6 A 14 2H6 A 14 3.211 14.147 3.376
151 H2 A 14 2H A 14 0.612 12.085 7.446
152 1H5* A 15 1H5* A 15 3.149 8.195 10.805
153 2H5* A 15 2H5* A 15 2.513 6.542 10.699
154 H4* A 15 H4* A 15 0.827 8.266 10.054
155 H3* A 15 H3* A 15 1.792 6.204 8.047
156 H2* A 15 H2* A 15 0.400 7.131 6.403
157 2HO* A 15 2HO A 15 -1.575 7.595 6.975
158 H1* A 15 H1* A 15 0.505 9.806 7.224
159 H8 A 15 8H A 15 3.822 7.950 6.745
160 1H6 A 15 1H6 A 15 3.538 9.669 0.836
161 2H6 A 15 2H6 A 15 4.583 9.033 2.089
162 H2 A 15 2H A 15 -0.269 10.931 2.834
163 1H5* G 16 1H5* G 16 -2.537 6.618 8.644
164 2H5* G 16 2H5* G 16 -3.429 5.084 8.632
165 H4* G 16 H4* G 16 -4.530 6.796 7.214
166 H3* G 16 H3* G 16 -3.355 4.318 5.912
167 H2* G 16 H2* G 16 -4.064 5.092 3.811
168 2HO* G 16 2HO G 16 -5.659 7.032 3.947
169 H1* G 16 H1* G 16 -3.863 7.865 4.328
170 H8 G 16 8H G 16 -0.826 5.626 4.943
171 H1 G 16 1H G 16 -1.276 7.752 -1.044
172 1H2 G 16 1H2 G 16 -3.115 9.096 -1.193
173 2H2 G 16 2H2 G 16 -4.484 8.683 -0.188
174 1H5* G 17 1H5* G 17 -7.180 5.444 5.016
175 2H5* G 17 2H5* G 17 -8.493 4.275 4.760
176 H4* G 17 H4* G 17 -8.352 5.867 2.882
177 H3* G 17 H3* G 17 -7.707 2.944 2.435
178 H2* G 17 H2* G 17 -7.119 3.339 0.204
179 2HO* G 17 2HO G 17 -9.255 4.597 0.052
180 H1* G 17 H1* G 17 -6.256 6.022 0.457
181 H8 G 17 8H G 17 -4.678 3.328 2.654
182 H1 G 17 1H G 17 -1.740 4.156 -2.946
183 1H2 G 17 1H2 G 17 -2.960 5.466 -4.256
184 2H2 G 17 2H2 G 17 -4.464 6.185 -3.724
185 1H5* A 18 1H5* A 18 -8.584 3.977 -1.489
186 2H5* A 18 2H5* A 18 -10.205 3.281 -1.704
187 H4* A 18 H4* A 18 -9.166 2.116 -3.359
188 H3* A 18 H3* A 18 -9.094 0.634 -0.853
189 H2* A 18 H2* A 18 -6.819 0.174 -0.944
190 2HO* A 18 2HO A 18 -7.631 -1.296 -3.262
191 H1* A 18 H1* A 18 -6.808 0.662 -3.937
192 H8 A 18 8H A 18 -5.031 1.496 -0.589
193 1H6 A 18 1H6 A 18 0.228 0.619 -3.679
194 2H6 A 18 2H6 A 18 -0.472 1.028 -2.127
195 H2 A 18 2H A 18 -3.178 0.199 -6.578
196 1H5* U 19 1H5* U 19 -9.508 -2.443 -0.008
197 2H5* U 19 2H5* U 19 -8.199 -2.109 -1.160
198 H4* U 19 H4* U 19 -7.737 -4.324 -1.483
199 H3* U 19 H3* U 19 -10.742 -4.674 -1.351
200 H2* U 19 H2* U 19 -10.508 -6.908 -0.645
201 2HO* U 19 2HO U 19 -9.043 -7.636 -2.172
202 H1* U 19 H1* U 19 -8.257 -6.624 0.944
203 H3 U 19 3H U 19 -11.613 -7.867 3.728
204 H5 U 19 5H U 19 -12.398 -3.809 2.894
205 H6 U 19 6H U 19 -10.609 -3.868 1.257
206 1H5* G 20 1H5* G 20 -10.164 -2.844 -6.636
207 2H5* G 20 2H5* G 20 -10.583 -4.569 -6.636
208 H4* G 20 H4* G 20 -8.711 -3.931 -8.207
209 H3* G 20 H3* G 20 -8.767 -6.122 -6.261
210 H2* G 20 H2* G 20 -6.605 -5.876 -5.522
211 2HO* G 20 2HO G 20 -5.313 -5.963 -7.914
212 H1* G 20 H1* G 20 -5.801 -4.042 -7.764
213 H8 G 20 8H G 20 -6.524 -2.894 -4.238
214 H1 G 20 1H G 20 -0.346 -4.138 -5.190
215 1H2 G 20 1H2 G 20 -0.059 -5.080 -7.175
216 2H2 G 20 2H2 G 20 -1.376 -5.318 -8.299
217 1H5* A 21 1H5* A 21 -6.173 -7.010 -9.522
218 2H5* A 21 2H5* A 21 -6.476 -8.555 -10.342
219 H4* A 21 H4* A 21 -4.169 -8.619 -10.002
220 H3* A 21 H3* A 21 -5.516 -9.948 -7.615
221 H2* A 21 H2* A 21 -3.379 -10.370 -6.745
222 2HO* A 21 2HO A 21 -2.030 -9.761 -9.145
223 H1* A 21 H1* A 21 -2.099 -8.112 -7.913
224 H8 A 21 8H A 21 -5.064 -7.387 -5.667
225 1H6 A 21 1H6 A 21 -1.088 -7.342 -0.964
226 2H6 A 21 2H6 A 21 -2.763 -7.122 -1.423
227 H2 A 21 2H A 21 1.072 -8.854 -4.592
228 1H5* A 22 1H5* A 22 -2.591 -12.446 -10.080
229 2H5* A 22 2H5* A 22 -3.038 -14.163 -10.035
230 H4* A 22 H4* A 22 -0.616 -13.821 -9.609
231 H3* A 22 H3* A 22 -2.366 -14.936 -7.387
232 H2* A 22 H2* A 22 -0.488 -15.089 -5.996
233 2HO* A 22 2HO A 22 0.817 -15.406 -8.439
234 H1* A 22 H1* A 22 0.937 -12.886 -7.018
235 H8 A 22 8H A 22 -2.640 -12.225 -5.922
236 1H6 A 22 1H6 A 22 -0.368 -11.111 -0.317
237 2H6 A 22 2H6 A 22 -1.840 -11.265 -1.249
238 H2 A 22 2H A 22 2.905 -12.937 -2.827
239 1H5* C 23 1H5* C 23 1.210 -17.305 -8.759
240 2H5* C 23 2H5* C 23 1.005 -19.052 -8.534
241 H4* C 23 H4* C 23 3.183 -18.281 -7.669
242 H3* C 23 H3* C 23 1.126 -19.352 -5.711
243 H2* C 23 H2* C 23 2.688 -19.046 -3.946
244 2HO* C 23 2HO C 23 4.545 -19.022 -6.076
245 H1* C 23 H1* C 23 3.672 -16.612 -4.737
246 1H4 C 23 1H4 C 23 -1.053 -15.745 -0.488
247 2H4 C 23 2H4 C 23 -2.101 -15.337 -1.828
248 H5 C 23 5H C 23 -1.664 -16.602 -3.947
249 H6 C 23 6H C 23 0.140 -17.167 -5.496
250 1H5* C 24 1H5* C 24 4.270 -21.726 -4.619
251 2H5* C 24 2H5* C 24 3.736 -23.402 -4.373
252 H4* C 24 H4* C 24 4.507 -22.409 -2.252
253 H3* C 24 H3* C 24 1.555 -22.998 -2.588
254 H2* C 24 H2* C 24 1.145 -22.291 -0.397
255 2HO* C 24 2HO C 24 3.959 -22.595 -0.009
256 H1* C 24 H1* C 24 3.006 -20.214 -0.353
257 1H4 C 24 1H4 C 24 -2.745 -17.582 -1.064
258 2H4 C 24 2H4 C 24 -2.653 -17.839 -2.792
259 H5 C 24 5H C 24 -0.958 -19.218 -3.826
260 H6 C 24 6H C 24 1.115 -20.467 -3.449
261 H3T C 24 H3T C 24 2.173 -24.885 -1.788
Start of MODEL 8
1 1H5* G 1 1H5* G 1 -6.309 -12.814 8.137
2 2H5* G 1 2H5* G 1 -5.256 -11.386 8.076
3 H4* G 1 H4* G 1 -4.104 -13.217 9.216
4 H3* G 1 H3* G 1 -3.115 -12.289 6.517
5 H2* G 1 H2* G 1 -1.458 -13.964 6.451
6 2HO* G 1 2HO G 1 -1.954 -14.714 9.143
7 H1* G 1 H1* G 1 -2.863 -16.032 7.540
8 H8 G 1 8H G 1 -5.253 -14.302 5.263
9 H1 G 1 1H G 1 -0.846 -17.559 1.999
10 1H2 G 1 1H2 G 1 0.765 -18.235 3.375
11 2H2 G 1 2H2 G 1 0.783 -17.823 5.074
12 H5T G 1 H5T G 1 -6.300 -11.820 6.082
13 1H5* G 2 1H5* G 2 0.471 -12.306 9.150
14 2H5* G 2 2H5* G 2 1.132 -10.659 9.114
15 H4* G 2 H4* G 2 2.954 -12.200 8.724
16 H3* G 2 H3* G 2 1.980 -10.575 6.369
17 H2* G 2 H2* G 2 3.488 -11.660 4.902
18 2HO* G 2 2HO G 2 4.888 -13.322 6.431
19 H1* G 2 H1* G 2 3.203 -14.204 5.809
20 H8 G 2 8H G 2 -0.099 -12.345 5.936
21 H1 G 2 1H G 2 1.255 -14.640 0.146
22 1H2 G 2 1H2 G 2 3.318 -15.460 0.118
23 2H2 G 2 2H2 G 2 4.422 -15.254 1.461
24 1H5* U 3 1H5* U 3 6.111 -10.601 6.088
25 2H5* U 3 2H5* U 3 6.781 -8.999 5.721
26 H4* U 3 H4* U 3 7.430 -10.665 4.009
27 H3* U 3 H3* U 3 5.607 -8.362 3.245
28 H2* U 3 H2* U 3 5.566 -9.138 1.007
29 2HO* U 3 2HO U 3 7.682 -10.933 1.715
30 H1* U 3 H1* U 3 5.373 -11.823 1.541
31 H3 U 3 3H U 3 1.360 -10.668 -0.201
32 H5 U 3 5H U 3 1.289 -9.035 3.686
33 H6 U 3 6H U 3 3.610 -9.710 3.936
34 1H5* U 4 1H5* U 4 8.893 -8.266 0.399
35 2H5* U 4 2H5* U 4 9.346 -6.584 0.061
36 H4* U 4 H4* U 4 8.699 -7.794 -2.005
37 H3* U 4 H3* U 4 6.958 -5.497 -1.033
38 H2* U 4 H2* U 4 5.552 -5.794 -2.894
39 2HO* U 4 2HO U 4 6.966 -7.614 -4.358
40 H1* U 4 H1* U 4 5.806 -8.578 -3.131
41 H3 U 4 3H U 4 1.386 -7.883 -2.564
42 H5 U 4 5H U 4 3.044 -6.861 1.173
43 H6 U 4 6H U 4 5.249 -7.136 0.197
44 1H5* C 5 1H5* C 5 8.345 -5.216 -5.368
45 2H5* C 5 2H5* C 5 8.864 -3.539 -5.624
46 H4* C 5 H4* C 5 7.508 -4.248 -7.518
47 H3* C 5 H3* C 5 6.234 -2.255 -5.606
48 H2* C 5 H2* C 5 4.327 -2.178 -7.014
49 2HO* C 5 2HO C 5 4.375 -3.011 -9.142
50 H1* C 5 H1* C 5 4.226 -4.864 -7.635
51 1H4 C 5 1H4 C 5 0.037 -3.790 -2.952
52 2H4 C 5 2H4 C 5 1.325 -3.796 -1.767
53 H5 C 5 5H C 5 3.661 -3.963 -2.360
54 H6 C 5 6H C 5 5.256 -4.085 -4.215
55 1H5* C 6 1H5* C 6 6.398 -0.157 -9.307
56 2H5* C 6 2H5* C 6 6.045 1.572 -9.117
57 H4* C 6 H4* C 6 4.132 0.006 -9.926
58 H3* C 6 H3* C 6 3.961 2.085 -7.724
59 H2* C 6 H2* C 6 1.683 1.516 -7.359
60 2HO* C 6 2HO C 6 1.810 0.844 -9.983
61 H1* C 6 H1* C 6 1.950 -1.192 -7.509
62 1H4 C 6 1H4 C 6 4.210 0.701 -1.585
63 2H4 C 6 2H4 C 6 2.483 0.509 -1.375
64 H5 C 6 5H C 6 5.327 0.274 -3.683
65 H6 C 6 6H C 6 5.007 -0.098 -6.084
66 1H5* C 7 1H5* C 7 1.276 3.947 -10.998
67 2H5* C 7 2H5* C 7 1.716 5.666 -11.034
68 H4* C 7 H4* C 7 -0.664 5.454 -10.547
69 H3* C 7 H3* C 7 1.126 6.331 -8.249
70 H2* C 7 H2* C 7 -0.785 6.536 -6.882
71 2HO* C 7 2HO C 7 -2.288 6.527 -9.315
72 H1* C 7 H1* C 7 -2.247 4.406 -7.959
73 1H4 C 7 1H4 C 7 -0.082 2.565 -2.263
74 2H4 C 7 2H4 C 7 1.484 2.214 -2.958
75 H5 C 7 5H C 7 2.126 2.950 -5.167
76 H6 C 7 6H C 7 1.316 3.878 -7.286
77 1H5* C 8 1H5* C 8 -2.017 9.405 -8.961
78 2H5* C 8 2H5* C 8 -1.352 11.025 -8.662
79 H4* C 8 H4* C 8 -3.387 10.605 -7.309
80 H3* C 8 H3* C 8 -0.714 10.956 -5.909
81 H2* C 8 H2* C 8 -1.802 10.745 -3.821
82 2HO* C 8 2HO C 8 -4.017 11.017 -3.578
83 H1* C 8 H1* C 8 -3.596 8.768 -4.531
84 1H4 C 8 1H4 C 8 1.228 5.982 -1.448
85 2H4 C 8 2H4 C 8 2.200 6.007 -2.903
86 H5 C 8 5H C 8 1.551 7.203 -4.896
87 H6 C 8 6H C 8 -0.257 8.444 -5.994
88 1H5* U 9 1H5* U 9 -3.953 13.062 -4.486
89 2H5* U 9 2H5* U 9 -3.711 14.716 -3.888
90 H4* U 9 H4* U 9 -4.917 13.308 -2.242
91 H3* U 9 H3* U 9 -2.125 14.297 -1.539
92 H2* U 9 H2* U 9 -2.387 13.305 0.603
93 2HO* U 9 2HO U 9 -4.569 12.446 1.161
94 H1* U 9 H1* U 9 -3.723 11.024 -0.235
95 H3 U 9 3H U 9 0.206 9.517 1.411
96 H5 U 9 5H U 9 1.288 11.413 -2.194
97 H6 U 9 6H U 9 -1.003 12.190 -2.396
98 1H5* G 10 1H5* G 10 -4.449 15.981 1.644
99 2H5* G 10 2H5* G 10 -3.580 17.373 2.317
100 H4* G 10 H4* G 10 -3.647 15.346 3.823
101 H3* G 10 H3* G 10 -1.067 16.636 2.894
102 H2* G 10 H2* G 10 0.194 15.022 4.144
103 2HO* G 10 2HO G 10 -1.883 13.508 5.102
104 H1* G 10 H1* G 10 -1.088 12.853 3.239
105 H8 G 10 8H G 10 -1.415 15.304 0.440
106 H1 G 10 1H G 10 4.469 12.900 0.822
107 1H2 G 10 1H2 G 10 4.586 11.562 2.661
108 2H2 G 10 2H2 G 10 3.613 12.036 4.035
109 1H5* C 11 1H5* C 11 -1.061 18.662 7.168
110 2H5* C 11 2H5* C 11 -0.013 20.039 6.785
111 H4* C 11 H4* C 11 1.895 18.839 7.055
112 H3* C 11 H3* C 11 0.757 17.124 5.143
113 H2* C 11 H2* C 11 0.071 15.266 6.326
114 2HO* C 11 2HO C 11 2.609 15.045 6.236
115 H1* C 11 H1* C 11 0.978 15.675 8.984
116 1H4 C 11 1H4 C 11 -5.467 16.243 9.634
117 2H4 C 11 2H4 C 11 -5.425 14.739 8.743
118 H5 C 11 5H C 11 -3.932 16.372 6.783
119 H6 C 11 6H C 11 -1.533 16.672 6.416
120 1H5* A 12 1H5* A 12 5.714 15.095 4.130
121 2H5* A 12 2H5* A 12 4.935 13.628 4.755
122 H4* A 12 H4* A 12 5.419 16.241 6.229
123 H3* A 12 H3* A 12 6.612 13.497 6.273
124 H2* A 12 H2* A 12 6.031 13.096 8.482
125 2HO* A 12 2HO A 12 6.443 15.061 9.955
126 H1* A 12 H1* A 12 4.664 15.696 8.874
127 H8 A 12 8H A 12 1.904 13.902 8.107
128 1H6 A 12 1H6 A 12 1.916 10.114 12.366
129 2H6 A 12 2H6 A 12 1.189 11.620 12.883
130 H2 A 12 2H A 12 6.126 12.368 12.632
131 1H5* U 13 1H5* U 13 9.529 15.315 8.299
132 2H5* U 13 2H5* U 13 11.169 15.343 7.620
133 H4* U 13 H4* U 13 11.714 13.250 8.505
134 H3* U 13 H3* U 13 9.200 12.415 7.701
135 H2* U 13 H2* U 13 7.977 13.211 9.571
136 2HO* U 13 2HO U 13 7.647 11.472 10.938
137 H1* U 13 H1* U 13 10.206 12.520 11.478
138 H3 U 13 3H U 13 7.982 14.469 14.827
139 H5 U 13 5H U 13 6.939 16.869 11.521
140 H6 U 13 6H U 13 8.333 15.443 10.136
141 1H5* A 14 1H5* A 14 9.304 9.696 10.185
142 2H5* A 14 2H5* A 14 9.097 7.978 9.787
143 H4* A 14 H4* A 14 7.138 9.125 10.980
144 H3* A 14 H3* A 14 7.125 7.262 8.716
145 H2* A 14 H2* A 14 5.580 8.482 7.453
146 2HO* A 14 2HO A 14 3.413 8.519 8.618
147 H1* A 14 H1* A 14 4.691 10.076 9.828
148 H8 A 14 8H A 14 6.623 11.264 6.749
149 1H6 A 14 1H6 A 14 1.261 13.480 4.713
150 2H6 A 14 2H6 A 14 2.943 13.222 4.304
151 H2 A 14 2H A 14 0.461 11.069 8.401
152 1H5* A 15 1H5* A 15 3.086 6.686 11.331
153 2H5* A 15 2H5* A 15 2.524 5.052 10.925
154 H4* A 15 H4* A 15 0.821 6.879 10.534
155 H3* A 15 H3* A 15 1.785 5.039 8.320
156 H2* A 15 H2* A 15 0.353 6.115 6.797
157 2HO* A 15 2HO A 15 -1.612 6.411 7.517
158 H1* A 15 H1* A 15 0.495 8.696 7.870
159 H8 A 15 8H A 15 3.851 6.996 7.265
160 1H6 A 15 1H6 A 15 3.531 9.071 1.478
161 2H6 A 15 2H6 A 15 4.605 8.443 2.710
162 H2 A 15 2H A 15 -0.341 10.047 3.512
163 1H5* G 16 1H5* G 16 -2.522 5.356 8.936
164 2H5* G 16 2H5* G 16 -3.379 3.802 8.871
165 H4* G 16 H4* G 16 -4.552 5.548 7.555
166 H3* G 16 H3* G 16 -3.336 3.161 6.127
167 H2* G 16 H2* G 16 -4.078 4.010 4.070
168 2HO* G 16 2HO G 16 -5.752 6.013 4.901
169 H1* G 16 H1* G 16 -3.977 6.766 4.724
170 H8 G 16 8H G 16 -0.832 4.634 5.160
171 H1 G 16 1H G 16 -1.538 7.047 -0.696
172 1H2 G 16 1H2 G 16 -3.432 8.410 -0.645
173 2H2 G 16 2H2 G 16 -4.768 7.677 0.212
174 1H5* G 17 1H5* G 17 -7.279 4.164 5.388
175 2H5* G 17 2H5* G 17 -8.534 2.933 5.140
176 H4* G 17 H4* G 17 -8.570 4.586 3.316
177 H3* G 17 H3* G 17 -7.760 1.729 2.743
178 H2* G 17 H2* G 17 -7.260 2.230 0.511
179 2HO* G 17 2HO G 17 -9.467 3.393 0.478
180 H1* G 17 H1* G 17 -6.520 4.934 0.818
181 H8 G 17 8H G 17 -4.822 2.231 2.927
182 H1 G 17 1H G 17 -1.921 3.412 -2.629
183 1H2 G 17 1H2 G 17 -3.185 4.739 -3.874
184 2H2 G 17 2H2 G 17 -4.719 5.371 -3.318
185 1H5* A 18 1H5* A 18 -8.958 2.851 -1.188
186 2H5* A 18 2H5* A 18 -10.514 1.999 -1.291
187 H4* A 18 H4* A 18 -9.477 0.994 -3.059
188 H3* A 18 H3* A 18 -9.158 -0.552 -0.612
189 H2* A 18 H2* A 18 -6.867 -0.837 -0.838
190 2HO* A 18 2HO A 18 -7.041 -2.840 -1.547
191 H1* A 18 H1* A 18 -7.054 -0.261 -3.809
192 H8 A 18 8H A 18 -5.164 0.563 -0.523
193 1H6 A 18 1H6 A 18 -0.029 0.269 -3.907
194 2H6 A 18 2H6 A 18 -0.681 0.590 -2.315
195 H2 A 18 2H A 18 -3.542 -0.281 -6.657
196 1H5* U 19 1H5* U 19 -12.466 -4.681 -1.508
197 2H5* U 19 2H5* U 19 -11.098 -5.145 -2.539
198 H4* U 19 H4* U 19 -13.343 -5.546 -3.595
199 H3* U 19 H3* U 19 -11.237 -3.750 -4.809
200 H2* U 19 H2* U 19 -12.664 -3.122 -6.572
201 2HO* U 19 2HO U 19 -14.741 -4.890 -6.013
202 H1* U 19 H1* U 19 -15.051 -3.012 -5.200
203 H3 U 19 3H U 19 -14.009 1.208 -6.556
204 H5 U 19 5H U 19 -11.646 0.566 -3.124
205 H6 U 19 6H U 19 -12.350 -1.756 -3.153
206 1H5* G 20 1H5* G 20 -9.310 -3.697 -6.610
207 2H5* G 20 2H5* G 20 -10.143 -3.562 -8.172
208 H4* G 20 H4* G 20 -8.295 -4.155 -9.346
209 H3* G 20 H3* G 20 -8.267 -6.380 -7.438
210 H2* G 20 H2* G 20 -6.182 -5.947 -6.572
211 2HO* G 20 2HO G 20 -4.443 -6.155 -8.276
212 H1* G 20 H1* G 20 -5.427 -4.050 -8.782
213 H8 G 20 8H G 20 -6.330 -2.851 -5.336
214 H1 G 20 1H G 20 -0.085 -3.975 -5.939
215 1H2 G 20 1H2 G 20 0.320 -5.000 -7.861
216 2H2 G 20 2H2 G 20 -0.932 -5.286 -9.051
217 1H5* A 21 1H5* A 21 -5.387 -7.179 -10.542
218 2H5* A 21 2H5* A 21 -5.583 -8.774 -11.295
219 H4* A 21 H4* A 21 -3.312 -8.759 -10.754
220 H3* A 21 H3* A 21 -4.815 -9.976 -8.397
221 H2* A 21 H2* A 21 -2.728 -10.316 -7.374
222 2HO* A 21 2HO A 21 -1.494 -9.947 -9.926
223 H1* A 21 H1* A 21 -1.430 -8.080 -8.564
224 H8 A 21 8H A 21 -4.557 -7.333 -6.571
225 1H6 A 21 1H6 A 21 -0.961 -6.991 -1.593
226 2H6 A 21 2H6 A 21 -2.596 -6.816 -2.194
227 H2 A 21 2H A 21 1.510 -8.588 -4.981
228 1H5* A 22 1H5* A 22 -1.717 -12.622 -10.376
229 2H5* A 22 2H5* A 22 -2.149 -14.337 -10.234
230 H4* A 22 H4* A 22 0.203 -13.904 -9.551
231 H3* A 22 H3* A 22 -1.786 -14.868 -7.460
232 H2* A 22 H2* A 22 -0.079 -14.860 -5.855
233 2HO* A 22 2HO A 22 2.210 -14.534 -7.060
234 H1* A 22 H1* A 22 1.467 -12.759 -6.961
235 H8 A 22 8H A 22 -2.183 -12.020 -6.171
236 1H6 A 22 1H6 A 22 -0.277 -10.181 -0.681
237 2H6 A 22 2H6 A 22 -1.696 -10.894 -1.416
238 H2 A 22 2H A 22 3.157 -12.401 -2.681
239 1H5* C 23 1H5* C 23 1.935 -17.253 -8.194
240 2H5* C 23 2H5* C 23 1.738 -18.982 -7.844
241 H4* C 23 H4* C 23 3.780 -18.077 -6.797
242 H3* C 23 H3* C 23 1.528 -19.022 -4.989
243 H2* C 23 H2* C 23 2.903 -18.544 -3.110
244 2HO* C 23 2HO C 23 4.920 -18.872 -4.992
245 H1* C 23 H1* C 23 3.926 -16.164 -4.007
246 1H4 C 23 1H4 C 23 -1.185 -15.001 -0.321
247 2H4 C 23 2H4 C 23 -2.142 -14.833 -1.774
248 H5 C 23 5H C 23 -1.463 -16.175 -3.746
249 H6 C 23 6H C 23 0.492 -16.843 -5.056
250 1H5* C 24 1H5* C 24 4.630 -21.342 -3.476
251 2H5* C 24 2H5* C 24 4.057 -22.991 -3.148
252 H4* C 24 H4* C 24 4.718 -21.844 -1.062
253 H3* C 24 H3* C 24 1.792 -22.474 -1.526
254 H2* C 24 H2* C 24 1.249 -21.605 0.575
255 2HO* C 24 2HO C 24 3.556 -22.649 1.289
256 H1* C 24 H1* C 24 3.095 -19.518 0.574
257 1H4 C 24 1H4 C 24 -2.592 -16.971 -0.682
258 2H4 C 24 2H4 C 24 -2.422 -17.402 -2.369
259 H5 C 24 5H C 24 -0.644 -18.812 -3.199
260 H6 C 24 6H C 24 1.399 -20.022 -2.603
261 H3T C 24 H3T C 24 2.439 -24.320 -0.714
Start of MODEL 9
1 1H5* G 1 1H5* G 1 -7.230 -13.072 8.497
2 2H5* G 1 2H5* G 1 -6.386 -11.546 8.831
3 H4* G 1 H4* G 1 -4.935 -13.266 9.616
4 H3* G 1 H3* G 1 -4.161 -12.063 6.951
5 H2* G 1 H2* G 1 -2.364 -13.571 6.710
6 2HO* G 1 2HO G 1 -1.941 -14.984 8.715
7 H1* G 1 H1* G 1 -3.538 -15.824 7.735
8 H8 G 1 8H G 1 -6.099 -14.156 5.585
9 H1 G 1 1H G 1 -1.567 -17.011 2.122
10 1H2 G 1 1H2 G 1 0.299 -17.227 3.472
11 2H2 G 1 2H2 G 1 -0.044 -17.658 5.130
12 H5T G 1 H5T G 1 -6.321 -11.159 6.784
13 1H5* G 2 1H5* G 2 -0.505 -11.721 9.441
14 2H5* G 2 2H5* G 2 0.087 -10.052 9.324
15 H4* G 2 H4* G 2 1.897 -11.585 8.771
16 H3* G 2 H3* G 2 0.717 -9.897 6.557
17 H2* G 2 H2* G 2 2.123 -10.908 4.947
18 2HO* G 2 2HO G 2 3.685 -12.581 6.267
19 H1* G 2 H1* G 2 1.972 -13.486 5.813
20 H8 G 2 8H G 2 -1.363 -11.709 6.163
21 H1 G 2 1H G 2 -0.251 -13.833 0.255
22 1H2 G 2 1H2 G 2 1.830 -14.591 0.103
23 2H2 G 2 2H2 G 2 2.988 -14.403 1.401
24 1H5* U 3 1H5* U 3 5.011 -9.875 6.388
25 2H5* U 3 2H5* U 3 5.684 -8.274 6.023
26 H4* U 3 H4* U 3 6.519 -9.995 4.451
27 H3* U 3 H3* U 3 4.771 -7.734 3.439
28 H2* U 3 H2* U 3 4.897 -8.595 1.236
29 2HO* U 3 2HO U 3 6.520 -10.720 1.478
30 H1* U 3 H1* U 3 4.630 -11.246 1.830
31 H3 U 3 3H U 3 0.719 -10.114 -0.138
32 H5 U 3 5H U 3 0.484 -8.334 3.676
33 H6 U 3 6H U 3 2.782 -9.018 4.062
34 1H5* U 4 1H5* U 4 8.317 -7.954 0.899
35 2H5* U 4 2H5* U 4 8.875 -6.325 0.471
36 H4* U 4 H4* U 4 8.429 -7.699 -1.545
37 H3* U 4 H3* U 4 6.677 -5.275 -0.992
38 H2* U 4 H2* U 4 5.508 -5.693 -2.990
39 2HO* U 4 2HO U 4 6.591 -7.464 -4.416
40 H1* U 4 H1* U 4 5.666 -8.489 -2.952
41 H3 U 4 3H U 4 1.245 -7.574 -3.017
42 H5 U 4 5H U 4 2.475 -6.295 0.805
43 H6 U 4 6H U 4 4.768 -6.724 0.139
44 1H5* C 5 1H5* C 5 8.540 -5.199 -5.250
45 2H5* C 5 2H5* C 5 9.008 -3.501 -5.467
46 H4* C 5 H4* C 5 7.772 -4.320 -7.432
47 H3* C 5 H3* C 5 6.480 -2.212 -5.670
48 H2* C 5 H2* C 5 4.593 -2.175 -7.092
49 2HO* C 5 2HO C 5 4.775 -3.434 -9.169
50 H1* C 5 H1* C 5 4.455 -4.876 -7.642
51 1H4 C 5 1H4 C 5 0.202 -3.776 -3.036
52 2H4 C 5 2H4 C 5 1.482 -3.610 -1.854
53 H5 C 5 5H C 5 3.821 -3.802 -2.408
54 H6 C 5 6H C 5 5.438 -3.941 -4.242
55 1H5* C 6 1H5* C 6 7.038 -0.032 -9.507
56 2H5* C 6 2H5* C 6 6.686 1.684 -9.220
57 H4* C 6 H4* C 6 4.852 0.225 -10.344
58 H3* C 6 H3* C 6 4.510 2.171 -8.054
59 H2* C 6 H2* C 6 2.225 1.588 -7.815
60 2HO* C 6 2HO C 6 2.511 0.942 -10.474
61 H1* C 6 H1* C 6 2.451 -1.100 -8.087
62 1H4 C 6 1H4 C 6 4.629 0.417 -2.028
63 2H4 C 6 2H4 C 6 2.894 0.264 -1.865
64 H5 C 6 5H C 6 5.773 0.288 -4.146
65 H6 C 6 6H C 6 5.493 0.041 -6.568
66 1H5* C 7 1H5* C 7 1.736 4.057 -11.354
67 2H5* C 7 2H5* C 7 2.119 5.784 -11.204
68 H4* C 7 H4* C 7 -0.299 5.402 -10.931
69 H3* C 7 H3* C 7 1.304 6.318 -8.517
70 H2* C 7 H2* C 7 -0.677 6.360 -7.234
71 2HO* C 7 2HO C 7 -2.763 6.026 -8.504
72 H1* C 7 H1* C 7 -1.907 4.131 -8.349
73 1H4 C 7 1H4 C 7 0.512 2.363 -2.727
74 2H4 C 7 2H4 C 7 2.068 2.093 -3.479
75 H5 C 7 5H C 7 2.616 2.974 -5.664
76 H6 C 7 6H C 7 1.696 3.897 -7.739
77 1H5* C 8 1H5* C 8 -2.028 9.035 -9.191
78 2H5* C 8 2H5* C 8 -1.574 10.725 -8.891
79 H4* C 8 H4* C 8 -3.551 10.054 -7.550
80 H3* C 8 H3* C 8 -0.956 10.744 -6.131
81 H2* C 8 H2* C 8 -2.036 10.407 -4.048
82 2HO* C 8 2HO C 8 -4.272 10.354 -3.843
83 H1* C 8 H1* C 8 -3.497 8.185 -4.751
84 1H4 C 8 1H4 C 8 1.713 6.080 -1.771
85 2H4 C 8 2H4 C 8 2.676 6.335 -3.211
86 H5 C 8 5H C 8 1.785 7.287 -5.240
87 H6 C 8 6H C 8 -0.197 8.270 -6.298
88 1H5* U 9 1H5* U 9 -4.304 12.212 -4.610
89 2H5* U 9 2H5* U 9 -4.381 13.869 -3.981
90 H4* U 9 H4* U 9 -5.174 12.205 -2.317
91 H3* U 9 H3* U 9 -2.624 13.758 -1.727
92 H2* U 9 H2* U 9 -2.515 12.680 0.368
93 2HO* U 9 2HO U 9 -5.297 12.258 -0.039
94 H1* U 9 H1* U 9 -3.633 10.225 -0.439
95 H3 U 9 3H U 9 0.415 9.195 1.300
96 H5 U 9 5H U 9 1.328 11.122 -2.334
97 H6 U 9 6H U 9 -1.025 11.660 -2.565
98 1H5* G 10 1H5* G 10 -5.314 14.566 1.592
99 2H5* G 10 2H5* G 10 -4.922 16.131 2.332
100 H4* G 10 H4* G 10 -4.553 14.125 3.831
101 H3* G 10 H3* G 10 -2.450 16.182 3.167
102 H2* G 10 H2* G 10 -0.761 14.977 4.326
103 2HO* G 10 2HO G 10 -2.985 13.679 5.516
104 H1* G 10 H1* G 10 -1.343 12.490 3.457
105 H8 G 10 8H G 10 -2.131 14.974 0.705
106 H1 G 10 1H G 10 4.049 13.447 0.999
107 1H2 G 10 1H2 G 10 4.336 11.966 2.726
108 2H2 G 10 2H2 G 10 3.378 12.302 4.150
109 1H5* C 11 1H5* C 11 -1.830 15.509 6.734
110 2H5* C 11 2H5* C 11 -2.641 16.458 7.993
111 H4* C 11 H4* C 11 -0.459 15.875 8.813
112 H3* C 11 H3* C 11 -1.304 18.460 8.786
113 H2* C 11 H2* C 11 -0.262 19.206 6.820
114 2HO* C 11 2HO C 11 1.548 20.346 7.379
115 H1* C 11 H1* C 11 2.267 17.673 7.218
116 1H4 C 11 1H4 C 11 0.482 18.705 0.906
117 2H4 C 11 2H4 C 11 2.215 18.930 0.986
118 H5 C 11 5H C 11 -0.874 18.200 2.842
119 H6 C 11 6H C 11 -0.847 17.705 5.223
120 1H5* A 12 1H5* A 12 4.022 18.327 10.993
121 2H5* A 12 2H5* A 12 4.425 18.198 9.269
122 H4* A 12 H4* A 12 2.299 16.605 10.757
123 H3* A 12 H3* A 12 5.085 15.999 9.716
124 H2* A 12 H2* A 12 4.376 13.814 9.104
125 2HO* A 12 2HO A 12 2.731 12.809 10.069
126 H1* A 12 H1* A 12 1.920 14.493 8.095
127 H8 A 12 8H A 12 2.305 15.857 5.589
128 1H6 A 12 1H6 A 12 6.605 15.398 3.372
129 2H6 A 12 2H6 A 12 7.964 14.368 3.758
130 H2 A 12 2H A 12 7.659 13.549 8.179
131 1H5* U 13 1H5* U 13 7.544 14.671 9.996
132 2H5* U 13 2H5* U 13 5.960 14.124 10.561
133 H4* U 13 H4* U 13 8.666 13.628 11.794
134 H3* U 13 H3* U 13 7.218 12.077 10.067
135 H2* U 13 H2* U 13 5.266 11.790 11.378
136 2HO* U 13 2HO U 13 5.379 9.726 11.852
137 H1* U 13 H1* U 13 6.770 11.550 13.960
138 H3 U 13 3H U 13 2.920 11.830 16.213
139 H5 U 13 5H U 13 2.198 14.291 12.866
140 H6 U 13 6H U 13 4.434 13.772 12.089
141 1H5* A 14 1H5* A 14 9.693 8.814 9.800
142 2H5* A 14 2H5* A 14 9.207 9.201 8.137
143 H4* A 14 H4* A 14 7.626 9.557 10.697
144 H3* A 14 H3* A 14 7.566 7.708 8.419
145 H2* A 14 H2* A 14 5.846 8.800 7.282
146 2HO* A 14 2HO A 14 3.942 8.783 9.174
147 H1* A 14 H1* A 14 5.056 10.390 9.713
148 H8 A 14 8H A 14 6.751 11.685 6.546
149 1H6 A 14 1H6 A 14 2.897 13.631 4.386
150 2H6 A 14 2H6 A 14 1.196 13.664 4.792
151 H2 A 14 2H A 14 0.738 11.368 8.606
152 1H5* A 15 1H5* A 15 3.727 6.811 11.168
153 2H5* A 15 2H5* A 15 3.357 5.109 10.821
154 H4* A 15 H4* A 15 1.425 6.650 10.410
155 H3* A 15 H3* A 15 2.642 5.022 8.153
156 H2* A 15 H2* A 15 1.001 5.875 6.686
157 2HO* A 15 2HO A 15 -0.976 6.346 7.349
158 H1* A 15 H1* A 15 0.856 8.448 7.743
159 H8 A 15 8H A 15 4.390 7.128 7.152
160 1H6 A 15 1H6 A 15 3.836 9.170 1.360
161 2H6 A 15 2H6 A 15 4.946 8.527 2.554
162 H2 A 15 2H A 15 -0.128 9.668 3.393
163 1H5* G 16 1H5* G 16 -1.508 4.759 8.757
164 2H5* G 16 2H5* G 16 -2.257 3.150 8.723
165 H4* G 16 H4* G 16 -3.556 4.789 7.393
166 H3* G 16 H3* G 16 -2.192 2.472 5.988
167 H2* G 16 H2* G 16 -2.984 3.241 3.925
168 2HO* G 16 2HO G 16 -4.795 5.079 4.367
169 H1* G 16 H1* G 16 -3.125 6.003 4.562
170 H8 G 16 8H G 16 0.230 4.224 4.944
171 H1 G 16 1H G 16 -0.863 6.459 -0.929
172 1H2 G 16 1H2 G 16 -3.155 6.782 -1.119
173 2H2 G 16 2H2 G 16 -3.885 7.497 0.299
174 1H5* G 17 1H5* G 17 -6.168 3.325 5.348
175 2H5* G 17 2H5* G 17 -7.409 2.066 5.196
176 H4* G 17 H4* G 17 -7.649 3.698 3.384
177 H3* G 17 H3* G 17 -6.739 0.889 2.730
178 H2* G 17 H2* G 17 -6.430 1.426 0.472
179 2HO* G 17 2HO G 17 -7.502 3.546 -0.254
180 H1* G 17 H1* G 17 -5.822 4.168 0.748
181 H8 G 17 8H G 17 -3.806 1.583 2.705
182 H1 G 17 1H G 17 -1.412 2.919 -3.054
183 1H2 G 17 1H2 G 17 -2.840 4.176 -4.194
184 2H2 G 17 2H2 G 17 -4.374 4.692 -3.533
185 1H5* A 18 1H5* A 18 -8.272 1.991 -0.992
186 2H5* A 18 2H5* A 18 -9.805 1.093 -1.026
187 H4* A 18 H4* A 18 -8.901 0.171 -2.897
188 H3* A 18 H3* A 18 -8.219 -1.416 -0.549
189 H2* A 18 H2* A 18 -5.952 -1.540 -1.028
190 2HO* A 18 2HO A 18 -5.803 -2.906 -3.206
191 H1* A 18 H1* A 18 -6.494 -0.884 -3.941
192 H8 A 18 8H A 18 -4.324 -0.063 -0.833
193 1H6 A 18 1H6 A 18 0.431 0.140 -4.741
194 2H6 A 18 2H6 A 18 -0.045 0.180 -3.058
195 H2 A 18 2H A 18 -3.311 -0.550 -7.135
196 1H5* U 19 1H5* U 19 -7.552 -4.691 -4.332
197 2H5* U 19 2H5* U 19 -8.594 -3.257 -4.255
198 H4* U 19 H4* U 19 -9.250 -4.799 -6.091
199 H3* U 19 H3* U 19 -11.096 -4.110 -3.815
200 H2* U 19 H2* U 19 -12.731 -5.662 -4.482
201 2HO* U 19 2HO U 19 -12.744 -5.055 -6.697
202 H1* U 19 H1* U 19 -11.135 -7.720 -5.295
203 H3 U 19 3H U 19 -13.220 -9.007 -1.455
204 H5 U 19 5H U 19 -10.004 -6.602 -0.176
205 H6 U 19 6H U 19 -9.596 -6.027 -2.498
206 1H5* G 20 1H5* G 20 -9.512 -2.068 -8.716
207 2H5* G 20 2H5* G 20 -9.918 -3.775 -8.446
208 H4* G 20 H4* G 20 -7.840 -3.142 -9.927
209 H3* G 20 H3* G 20 -8.386 -5.376 -8.109
210 H2* G 20 H2* G 20 -6.345 -5.358 -7.059
211 2HO* G 20 2HO G 20 -4.636 -5.583 -9.078
212 H1* G 20 H1* G 20 -5.062 -3.578 -9.113
213 H8 G 20 8H G 20 -6.157 -2.736 -5.550
214 H1 G 20 1H G 20 0.101 -3.839 -6.096
215 1H2 G 20 1H2 G 20 0.549 -4.635 -8.128
216 2H2 G 20 2H2 G 20 -0.630 -4.576 -9.418
217 1H5* A 21 1H5* A 21 -5.389 -6.449 -11.089
218 2H5* A 21 2H5* A 21 -5.675 -8.033 -11.839
219 H4* A 21 H4* A 21 -3.438 -8.186 -11.188
220 H3* A 21 H3* A 21 -5.139 -9.263 -8.899
221 H2* A 21 H2* A 21 -3.129 -9.772 -7.791
222 2HO* A 21 2HO A 21 -1.342 -10.384 -8.836
223 H1* A 21 H1* A 21 -1.617 -7.641 -8.915
224 H8 A 21 8H A 21 -4.826 -6.852 -7.014
225 1H6 A 21 1H6 A 21 -1.335 -6.428 -1.967
226 2H6 A 21 2H6 A 21 -2.959 -6.285 -2.600
227 H2 A 21 2H A 21 1.233 -7.986 -5.302
228 1H5* A 22 1H5* A 22 -2.074 -11.917 -10.532
229 2H5* A 22 2H5* A 22 -2.466 -13.643 -10.403
230 H4* A 22 H4* A 22 -0.209 -13.130 -9.506
231 H3* A 22 H3* A 22 -2.339 -14.088 -7.550
232 H2* A 22 H2* A 22 -0.711 -14.055 -5.858
233 2HO* A 22 2HO A 22 1.213 -14.133 -7.974
234 H1* A 22 H1* A 22 0.851 -11.940 -6.936
235 H8 A 22 8H A 22 -2.830 -11.241 -6.239
236 1H6 A 22 1H6 A 22 -1.098 -9.677 -0.539
237 2H6 A 22 2H6 A 22 -2.440 -9.754 -1.657
238 H2 A 22 2H A 22 2.439 -11.516 -2.628
239 1H5* C 23 1H5* C 23 1.417 -16.402 -8.079
240 2H5* C 23 2H5* C 23 1.267 -18.131 -7.708
241 H4* C 23 H4* C 23 3.240 -17.139 -6.609
242 H3* C 23 H3* C 23 0.966 -18.126 -4.850
243 H2* C 23 H2* C 23 2.282 -17.578 -2.948
244 2HO* C 23 2HO C 23 4.562 -16.747 -3.524
245 H1* C 23 H1* C 23 3.252 -15.182 -3.866
246 1H4 C 23 1H4 C 23 -1.932 -14.002 -0.314
247 2H4 C 23 2H4 C 23 -2.923 -14.117 -1.750
248 H5 C 23 5H C 23 -2.137 -15.366 -3.698
249 H6 C 23 6H C 23 -0.140 -15.995 -4.961
250 1H5* C 24 1H5* C 24 4.177 -20.399 -3.325
251 2H5* C 24 2H5* C 24 3.633 -22.055 -2.983
252 H4* C 24 H4* C 24 4.324 -20.884 -0.915
253 H3* C 24 H3* C 24 1.400 -21.585 -1.302
254 H2* C 24 H2* C 24 0.921 -20.766 0.845
255 2HO* C 24 2HO C 24 2.715 -20.174 2.277
256 H1* C 24 H1* C 24 2.607 -18.574 0.733
257 1H4 C 24 1H4 C 24 -3.270 -16.498 -0.521
258 2H4 C 24 2H4 C 24 -3.049 -16.885 -2.215
259 H5 C 24 5H C 24 -1.167 -18.170 -3.041
260 H6 C 24 6H C 24 0.961 -19.218 -2.434
261 H3T C 24 H3T C 24 2.069 -23.410 -0.433
Start of MODEL 10
1 1H5* G 1 1H5* G 1 -6.280 -15.989 7.623
2 2H5* G 1 2H5* G 1 -5.574 -14.506 8.296
3 H4* G 1 H4* G 1 -4.045 -16.196 8.912
4 H3* G 1 H3* G 1 -3.197 -14.649 6.458
5 H2* G 1 H2* G 1 -1.313 -16.035 6.143
6 2HO* G 1 2HO G 1 -0.529 -17.395 7.791
7 H1* G 1 H1* G 1 -2.436 -18.448 6.777
8 H8 G 1 8H G 1 -4.976 -16.562 4.781
9 H1 G 1 1H G 1 -0.259 -18.825 1.135
10 1H2 G 1 1H2 G 1 1.303 -19.771 2.457
11 2H2 G 1 2H2 G 1 1.445 -19.265 4.124
12 H5T G 1 H5T G 1 -5.975 -15.262 5.681
13 1H5* G 2 1H5* G 2 0.373 -14.503 9.068
14 2H5* G 2 2H5* G 2 0.769 -12.791 9.314
15 H4* G 2 H4* G 2 2.786 -13.891 8.603
16 H3* G 2 H3* G 2 1.412 -12.131 6.569
17 H2* G 2 H2* G 2 2.970 -12.710 4.889
18 2HO* G 2 2HO G 2 4.544 -13.630 7.079
19 H1* G 2 H1* G 2 3.166 -15.371 5.388
20 H8 G 2 8H G 2 -0.360 -14.061 5.961
21 H1 G 2 1H G 2 0.888 -15.354 -0.155
22 1H2 G 2 1H2 G 2 3.028 -15.962 -0.367
23 2H2 G 2 2H2 G 2 4.196 -15.612 0.887
24 1H5* U 3 1H5* U 3 5.570 -11.597 6.426
25 2H5* U 3 2H5* U 3 6.099 -9.912 6.237
26 H4* U 3 H4* U 3 7.023 -11.371 4.457
27 H3* U 3 H3* U 3 5.078 -9.155 3.748
28 H2* U 3 H2* U 3 5.226 -9.741 1.452
29 2HO* U 3 2HO U 3 6.894 -10.923 0.618
30 H1* U 3 H1* U 3 5.132 -12.457 1.749
31 H3 U 3 3H U 3 1.105 -11.352 0.029
32 H5 U 3 5H U 3 0.874 -10.080 4.041
33 H6 U 3 6H U 3 3.228 -10.634 4.280
34 1H5* U 4 1H5* U 4 8.407 -8.621 1.073
35 2H5* U 4 2H5* U 4 8.763 -6.893 0.879
36 H4* U 4 H4* U 4 8.220 -7.970 -1.291
37 H3* U 4 H3* U 4 6.345 -5.856 -0.169
38 H2* U 4 H2* U 4 4.979 -6.069 -2.072
39 2HO* U 4 2HO U 4 5.981 -6.139 -3.926
40 H1* U 4 H1* U 4 5.377 -8.811 -2.524
41 H3 U 4 3H U 4 0.926 -8.387 -1.951
42 H5 U 4 5H U 4 2.498 -7.603 1.876
43 H6 U 4 6H U 4 4.721 -7.679 0.906
44 1H5* C 5 1H5* C 5 7.600 -5.486 -4.260
45 2H5* C 5 2H5* C 5 8.354 -3.912 -4.583
46 H4* C 5 H4* C 5 7.038 -4.438 -6.513
47 H3* C 5 H3* C 5 5.769 -2.405 -4.649
48 H2* C 5 H2* C 5 3.904 -2.244 -6.090
49 2HO* C 5 2HO C 5 5.629 -3.434 -8.030
50 H1* C 5 H1* C 5 3.775 -4.908 -6.865
51 1H4 C 5 1H4 C 5 -0.766 -3.979 -2.502
52 2H4 C 5 2H4 C 5 0.423 -4.013 -1.219
53 H5 C 5 5H C 5 2.797 -4.204 -1.621
54 H6 C 5 6H C 5 4.537 -4.236 -3.342
55 1H5* C 6 1H5* C 6 6.516 -0.369 -8.435
56 2H5* C 6 2H5* C 6 6.231 1.382 -8.376
57 H4* C 6 H4* C 6 4.364 -0.122 -9.365
58 H3* C 6 H3* C 6 4.049 2.081 -7.318
59 H2* C 6 H2* C 6 1.737 1.633 -7.101
60 2HO* C 6 2HO C 6 0.821 1.321 -9.002
61 H1* C 6 H1* C 6 1.836 -1.096 -7.156
62 1H4 C 6 1H4 C 6 3.595 0.665 -1.049
63 2H4 C 6 2H4 C 6 1.862 0.906 -1.076
64 H5 C 6 5H C 6 4.900 0.349 -3.056
65 H6 C 6 6H C 6 4.801 -0.094 -5.466
66 1H5* C 7 1H5* C 7 2.004 4.158 -11.053
67 2H5* C 7 2H5* C 7 2.604 5.821 -10.898
68 H4* C 7 H4* C 7 0.134 5.730 -10.750
69 H3* C 7 H3* C 7 1.724 6.545 -8.290
70 H2* C 7 H2* C 7 -0.305 6.917 -7.146
71 2HO* C 7 2HO C 7 -1.151 8.065 -9.132
72 H1* C 7 H1* C 7 -1.768 4.838 -8.311
73 1H4 C 7 1H4 C 7 -0.254 3.049 -2.383
74 2H4 C 7 2H4 C 7 1.286 2.456 -2.962
75 H5 C 7 5H C 7 2.198 3.117 -5.109
76 H6 C 7 6H C 7 1.657 4.058 -7.306
77 1H5* C 8 1H5* C 8 -1.075 9.835 -9.311
78 2H5* C 8 2H5* C 8 -0.312 11.394 -8.941
79 H4* C 8 H4* C 8 -2.476 11.133 -7.756
80 H3* C 8 H3* C 8 0.095 11.258 -6.148
81 H2* C 8 H2* C 8 -1.163 11.102 -4.155
82 2HO* C 8 2HO C 8 -3.315 11.926 -5.817
83 H1* C 8 H1* C 8 -3.060 9.297 -5.036
84 1H4 C 8 1H4 C 8 1.268 6.099 -1.620
85 2H4 C 8 2H4 C 8 2.332 6.029 -3.006
86 H5 C 8 5H C 8 1.983 7.372 -4.983
87 H6 C 8 6H C 8 0.381 8.772 -6.198
88 1H5* U 9 1H5* U 9 -3.144 13.910 -5.110
89 2H5* U 9 2H5* U 9 -2.681 15.518 -4.515
90 H4* U 9 H4* U 9 -4.330 14.432 -3.021
91 H3* U 9 H3* U 9 -1.518 14.963 -2.003
92 H2* U 9 H2* U 9 -2.140 14.082 0.113
93 2HO* U 9 2HO U 9 -4.600 13.448 0.162
94 H1* U 9 H1* U 9 -3.628 11.963 -0.802
95 H3 U 9 3H U 9 0.056 10.060 0.998
96 H5 U 9 5H U 9 1.453 11.766 -2.593
97 H6 U 9 6H U 9 -0.728 12.802 -2.870
98 1H5* G 10 1H5* G 10 -3.559 17.091 0.939
99 2H5* G 10 2H5* G 10 -2.569 18.472 1.451
100 H4* G 10 H4* G 10 -2.693 16.752 3.214
101 H3* G 10 H3* G 10 -0.034 17.358 1.892
102 H2* G 10 H2* G 10 1.028 15.717 3.303
103 2HO* G 10 2HO G 10 -0.812 16.369 5.027
104 H1* G 10 H1* G 10 -0.699 13.743 2.844
105 H8 G 10 8H G 10 -0.810 15.968 -0.183
106 H1 G 10 1H G 10 4.299 12.166 -0.170
107 1H2 G 10 1H2 G 10 4.460 11.129 1.792
108 2H2 G 10 2H2 G 10 3.506 11.630 3.170
109 1H5* C 11 1H5* C 11 0.356 20.453 5.512
110 2H5* C 11 2H5* C 11 1.228 21.741 4.663
111 H4* C 11 H4* C 11 3.209 20.802 5.143
112 H3* C 11 H3* C 11 2.372 19.003 3.258
113 H2* C 11 H2* C 11 1.340 17.384 4.569
114 2HO* C 11 2HO C 11 2.877 16.005 4.077
115 H1* C 11 H1* C 11 3.047 17.607 6.973
116 1H4 C 11 1H4 C 11 -3.348 16.701 8.491
117 2H4 C 11 2H4 C 11 -2.412 15.628 9.507
118 H5 C 11 5H C 11 -2.354 17.608 6.443
119 H6 C 11 6H C 11 -0.282 18.382 5.447
120 1H5* A 12 1H5* A 12 5.529 15.291 2.173
121 2H5* A 12 2H5* A 12 4.229 15.150 3.368
122 H4* A 12 H4* A 12 6.661 16.907 3.835
123 H3* A 12 H3* A 12 6.956 14.208 3.486
124 H2* A 12 H2* A 12 5.278 13.578 5.084
125 2HO* A 12 2HO A 12 6.647 13.294 7.162
126 H1* A 12 H1* A 12 6.393 15.639 6.989
127 H8 A 12 8H A 12 2.803 15.371 5.720
128 1H6 A 12 1H6 A 12 0.823 14.569 10.370
129 2H6 A 12 2H6 A 12 1.235 12.948 10.884
130 H2 A 12 2H A 12 5.828 13.694 11.100
131 1H5* U 13 1H5* U 13 9.065 11.622 4.161
132 2H5* U 13 2H5* U 13 8.212 12.880 5.073
133 H4* U 13 H4* U 13 11.081 11.961 5.387
134 H3* U 13 H3* U 13 8.633 11.335 6.730
135 H2* U 13 H2* U 13 8.564 13.185 8.155
136 2HO* U 13 2HO U 13 10.628 12.741 9.717
137 H1* U 13 H1* U 13 11.544 13.602 8.044
138 H3 U 13 3H U 13 9.222 16.675 10.848
139 H5 U 13 5H U 13 9.505 18.244 6.945
140 H6 U 13 6H U 13 10.243 16.057 6.191
141 1H5* A 14 1H5* A 14 9.094 9.746 9.478
142 2H5* A 14 2H5* A 14 8.691 8.020 9.383
143 H4* A 14 H4* A 14 6.906 9.519 10.406
144 H3* A 14 H3* A 14 6.593 7.414 8.370
145 H2* A 14 H2* A 14 5.078 8.619 7.070
146 2HO* A 14 2HO A 14 3.199 9.147 8.918
147 H1* A 14 H1* A 14 4.566 10.606 9.257
148 H8 A 14 8H A 14 6.275 10.859 5.796
149 1H6 A 14 1H6 A 14 2.858 13.470 3.584
150 2H6 A 14 2H6 A 14 1.153 13.665 3.919
151 H2 A 14 2H A 14 0.606 12.469 8.202
152 1H5* A 15 1H5* A 15 2.617 7.464 11.080
153 2H5* A 15 2H5* A 15 1.971 5.821 10.897
154 H4* A 15 H4* A 15 0.331 7.606 10.267
155 H3* A 15 H3* A 15 1.292 5.565 8.234
156 H2* A 15 H2* A 15 -0.084 6.543 6.601
157 2HO* A 15 2HO A 15 -1.474 8.031 8.590
158 H1* A 15 H1* A 15 0.084 9.199 7.465
159 H8 A 15 8H A 15 3.360 7.280 7.016
160 1H6 A 15 1H6 A 15 3.270 9.192 1.156
161 2H6 A 15 2H6 A 15 4.240 8.426 2.397
162 H2 A 15 2H A 15 -0.604 10.385 3.070
163 1H5* G 16 1H5* G 16 -2.900 6.167 8.667
164 2H5* G 16 2H5* G 16 -3.941 4.731 8.587
165 H4* G 16 H4* G 16 -4.773 6.564 7.131
166 H3* G 16 H3* G 16 -3.799 3.984 5.853
167 H2* G 16 H2* G 16 -4.317 4.856 3.735
168 2HO* G 16 2HO G 16 -5.703 7.062 4.105
169 H1* G 16 H1* G 16 -3.877 7.591 4.331
170 H8 G 16 8H G 16 -1.098 5.033 4.965
171 H1 G 16 1H G 16 -1.142 7.395 -0.954
172 1H2 G 16 1H2 G 16 -2.823 8.944 -1.088
173 2H2 G 16 2H2 G 16 -4.266 8.603 -0.161
174 1H5* G 17 1H5* G 17 -7.443 5.546 4.851
175 2H5* G 17 2H5* G 17 -8.879 4.549 4.546
176 H4* G 17 H4* G 17 -8.554 6.142 2.711
177 H3* G 17 H3* G 17 -8.168 3.187 2.190
178 H2* G 17 H2* G 17 -7.485 3.584 -0.015
179 2HO* G 17 2HO G 17 -8.822 6.104 0.218
180 H1* G 17 H1* G 17 -6.354 6.144 0.322
181 H8 G 17 8H G 17 -5.203 3.231 2.521
182 H1 G 17 1H G 17 -1.878 3.885 -2.884
183 1H2 G 17 1H2 G 17 -2.886 5.346 -4.218
184 2H2 G 17 2H2 G 17 -4.268 6.285 -3.698
185 1H5* A 18 1H5* A 18 -8.906 4.473 -1.759
186 2H5* A 18 2H5* A 18 -10.593 3.957 -1.967
187 H4* A 18 H4* A 18 -9.720 2.767 -3.695
188 H3* A 18 H3* A 18 -9.727 1.171 -1.260
189 H2* A 18 H2* A 18 -7.515 0.493 -1.435
190 2HO* A 18 2HO A 18 -7.863 -1.437 -2.225
191 H1* A 18 H1* A 18 -7.509 1.120 -4.402
192 H8 A 18 8H A 18 -5.621 1.645 -1.055
193 1H6 A 18 1H6 A 18 -0.478 0.585 -4.276
194 2H6 A 18 2H6 A 18 -1.127 0.986 -2.702
195 H2 A 18 2H A 18 -3.956 0.482 -7.125
196 1H5* U 19 1H5* U 19 -9.526 -1.560 -2.923
197 2H5* U 19 2H5* U 19 -10.169 -2.614 -4.199
198 H4* U 19 H4* U 19 -9.174 -3.664 -1.992
199 H3* U 19 H3* U 19 -11.574 -4.455 -3.627
200 H2* U 19 H2* U 19 -12.346 -5.992 -2.018
201 2HO* U 19 2HO U 19 -9.644 -5.950 -1.213
202 H1* U 19 H1* U 19 -11.794 -4.612 0.264
203 H3 U 19 3H U 19 -16.309 -4.549 -0.157
204 H5 U 19 5H U 19 -14.968 -1.692 -2.952
205 H6 U 19 6H U 19 -12.695 -2.395 -2.479
206 1H5* G 20 1H5* G 20 -10.401 -3.691 -6.893
207 2H5* G 20 2H5* G 20 -10.792 -5.176 -7.787
208 H4* G 20 H4* G 20 -8.817 -4.393 -8.810
209 H3* G 20 H3* G 20 -8.582 -6.729 -7.050
210 H2* G 20 H2* G 20 -6.604 -6.103 -6.063
211 2HO* G 20 2HO G 20 -5.200 -5.737 -8.411
212 H1* G 20 H1* G 20 -6.022 -3.958 -8.089
213 H8 G 20 8H G 20 -7.198 -2.934 -4.711
214 H1 G 20 1H G 20 -0.890 -3.824 -4.797
215 1H2 G 20 1H2 G 20 -0.315 -4.936 -6.654
216 2H2 G 20 2H2 G 20 -1.388 -4.961 -8.035
217 1H5* A 21 1H5* A 21 -5.544 -6.872 -10.034
218 2H5* A 21 2H5* A 21 -5.500 -8.370 -10.985
219 H4* A 21 H4* A 21 -3.265 -8.113 -10.362
220 H3* A 21 H3* A 21 -4.637 -9.811 -8.233
221 H2* A 21 H2* A 21 -2.546 -9.994 -7.172
222 2HO* A 21 2HO A 21 -1.046 -8.951 -9.300
223 H1* A 21 H1* A 21 -1.546 -7.468 -8.019
224 H8 A 21 8H A 21 -4.771 -7.219 -6.125
225 1H6 A 21 1H6 A 21 -1.488 -7.482 -0.922
226 2H6 A 21 2H6 A 21 -3.065 -7.152 -1.605
227 H2 A 21 2H A 21 1.245 -8.449 -4.339
228 1H5* A 22 1H5* A 22 -1.124 -11.857 -10.401
229 2H5* A 22 2H5* A 22 -1.483 -13.592 -10.507
230 H4* A 22 H4* A 22 0.825 -13.180 -9.705
231 H3* A 22 H3* A 22 -1.179 -14.461 -7.812
232 H2* A 22 H2* A 22 0.493 -14.623 -6.171
233 2HO* A 22 2HO A 22 2.794 -14.175 -6.972
234 H1* A 22 H1* A 22 1.930 -12.304 -6.865
235 H8 A 22 8H A 22 -1.799 -11.845 -6.320
236 1H6 A 22 1H6 A 22 -0.476 -10.719 -0.469
237 2H6 A 22 2H6 A 22 -1.793 -11.322 -1.450
238 H2 A 22 2H A 22 3.225 -12.490 -2.422
239 1H5* C 23 1H5* C 23 2.634 -16.564 -8.733
240 2H5* C 23 2H5* C 23 2.525 -18.332 -8.633
241 H4* C 23 H4* C 23 4.493 -17.483 -7.416
242 H3* C 23 H3* C 23 2.255 -18.785 -5.826
243 H2* C 23 H2* C 23 3.545 -18.506 -3.855
244 2HO* C 23 2HO C 23 5.813 -17.483 -4.369
245 H1* C 23 H1* C 23 4.453 -15.970 -4.372
246 1H4 C 23 1H4 C 23 -0.804 -15.577 -0.751
247 2H4 C 23 2H4 C 23 -1.773 -15.449 -2.202
248 H5 C 23 5H C 23 -0.930 -16.349 -4.316
249 H6 C 23 6H C 23 1.099 -16.685 -5.640
250 1H5* C 24 1H5* C 24 5.569 -21.180 -4.697
251 2H5* C 24 2H5* C 24 5.079 -22.885 -4.610
252 H4* C 24 H4* C 24 5.790 -22.021 -2.399
253 H3* C 24 H3* C 24 2.895 -22.792 -2.845
254 H2* C 24 H2* C 24 2.389 -22.290 -0.612
255 2HO* C 24 2HO C 24 3.808 -22.549 0.950
256 H1* C 24 H1* C 24 3.964 -20.030 -0.404
257 1H4 C 24 1H4 C 24 -2.002 -18.092 -1.450
258 2H4 C 24 2H4 C 24 -1.762 -18.259 -3.176
259 H5 C 24 5H C 24 0.183 -19.324 -4.137
260 H6 C 24 6H C 24 2.368 -20.325 -3.654
261 H3T C 24 H3T C 24 4.259 -24.524 -2.798
Start of MODEL 11
1 1H5* G 1 1H5* G 1 -6.728 -14.455 7.943
2 2H5* G 1 2H5* G 1 -6.020 -12.974 8.619
3 H4* G 1 H4* G 1 -4.460 -14.591 9.256
4 H3* G 1 H3* G 1 -3.666 -13.266 6.655
5 H2* G 1 H2* G 1 -1.812 -14.710 6.413
6 2HO* G 1 2HO G 1 -1.769 -14.556 9.062
7 H1* G 1 H1* G 1 -2.961 -17.035 7.303
8 H8 G 1 8H G 1 -5.458 -15.227 5.155
9 H1 G 1 1H G 1 -0.944 -18.129 1.710
10 1H2 G 1 1H2 G 1 0.691 -18.828 3.046
11 2H2 G 1 2H2 G 1 0.667 -18.569 4.775
12 H5T G 1 H5T G 1 -5.271 -13.703 6.035
13 1H5* G 2 1H5* G 2 -0.053 -12.928 9.186
14 2H5* G 2 2H5* G 2 0.434 -11.220 9.204
15 H4* G 2 H4* G 2 2.360 -12.540 8.577
16 H3* G 2 H3* G 2 1.045 -10.884 6.420
17 H2* G 2 H2* G 2 2.521 -11.716 4.773
18 2HO* G 2 2HO G 2 4.493 -12.554 5.243
19 H1* G 2 H1* G 2 2.590 -14.326 5.539
20 H8 G 2 8H G 2 -0.861 -12.777 5.966
21 H1 G 2 1H G 2 0.296 -14.764 0.020
22 1H2 G 2 1H2 G 2 2.415 -15.397 -0.170
23 2H2 G 2 2H2 G 2 3.567 -15.213 1.133
24 1H5* U 3 1H5* U 3 5.305 -10.642 6.394
25 2H5* U 3 2H5* U 3 5.965 -9.020 6.104
26 H4* U 3 H4* U 3 6.937 -10.689 4.555
27 H3* U 3 H3* U 3 5.200 -8.451 3.473
28 H2* U 3 H2* U 3 5.518 -9.260 1.260
29 2HO* U 3 2HO U 3 7.693 -10.641 2.445
30 H1* U 3 H1* U 3 5.192 -11.920 1.792
31 H3 U 3 3H U 3 1.405 -10.676 -0.344
32 H5 U 3 5H U 3 0.962 -9.088 3.538
33 H6 U 3 6H U 3 3.237 -9.794 4.011
34 1H5* U 4 1H5* U 4 8.420 -8.360 0.925
35 2H5* U 4 2H5* U 4 8.935 -6.696 0.588
36 H4* U 4 H4* U 4 8.219 -7.850 -1.476
37 H3* U 4 H3* U 4 6.502 -5.549 -0.459
38 H2* U 4 H2* U 4 5.165 -5.779 -2.388
39 2HO* U 4 2HO U 4 6.207 -6.025 -4.205
40 H1* U 4 H1* U 4 5.407 -8.572 -2.643
41 H3 U 4 3H U 4 0.968 -7.840 -2.314
42 H5 U 4 5H U 4 2.424 -6.891 1.526
43 H6 U 4 6H U 4 4.678 -7.166 0.668
44 1H5* C 5 1H5* C 5 7.939 -5.335 -4.608
45 2H5* C 5 2H5* C 5 8.667 -3.748 -4.925
46 H4* C 5 H4* C 5 7.350 -4.319 -6.855
47 H3* C 5 H3* C 5 6.116 -2.244 -5.015
48 H2* C 5 H2* C 5 4.242 -2.082 -6.444
49 2HO* C 5 2HO C 5 4.961 -3.681 -8.517
50 H1* C 5 H1* C 5 4.044 -4.753 -7.140
51 1H4 C 5 1H4 C 5 -0.326 -3.722 -2.628
52 2H4 C 5 2H4 C 5 0.915 -3.652 -1.398
53 H5 C 5 5H C 5 3.267 -3.904 -1.882
54 H6 C 5 6H C 5 4.942 -4.021 -3.663
55 1H5* C 6 1H5* C 6 7.154 0.065 -8.744
56 2H5* C 6 2H5* C 6 6.849 1.792 -8.467
57 H4* C 6 H4* C 6 5.039 0.410 -9.720
58 H3* C 6 H3* C 6 4.586 2.313 -7.402
59 H2* C 6 H2* C 6 2.255 1.848 -7.468
60 2HO* C 6 2HO C 6 2.713 0.390 -9.887
61 H1* C 6 H1* C 6 2.426 -0.845 -7.739
62 1H4 C 6 1H4 C 6 2.203 0.658 -1.513
63 2H4 C 6 2H4 C 6 3.943 0.484 -1.446
64 H5 C 6 5H C 6 5.320 0.337 -3.422
65 H6 C 6 6H C 6 5.312 0.084 -5.860
66 1H5* C 7 1H5* C 7 2.003 4.132 -10.704
67 2H5* C 7 2H5* C 7 2.439 5.853 -10.688
68 H4* C 7 H4* C 7 0.008 5.595 -10.490
69 H3* C 7 H3* C 7 1.540 6.609 -8.072
70 H2* C 7 H2* C 7 -0.476 6.792 -6.868
71 2HO* C 7 2HO C 7 -2.141 7.601 -7.881
72 H1* C 7 H1* C 7 -1.796 4.588 -7.972
73 1H4 C 7 1H4 C 7 0.039 2.911 -2.112
74 2H4 C 7 2H4 C 7 1.647 2.563 -2.707
75 H5 C 7 5H C 7 2.415 3.272 -4.885
76 H6 C 7 6H C 7 1.723 4.150 -7.065
77 1H5* C 8 1H5* C 8 -1.582 9.580 -9.025
78 2H5* C 8 2H5* C 8 -0.946 11.216 -8.753
79 H4* C 8 H4* C 8 -3.003 10.808 -7.430
80 H3* C 8 H3* C 8 -0.357 11.238 -6.009
81 H2* C 8 H2* C 8 -1.436 11.019 -3.923
82 2HO* C 8 2HO C 8 -3.962 11.173 -5.249
83 H1* C 8 H1* C 8 -3.213 9.018 -4.599
84 1H4 C 8 1H4 C 8 1.613 6.263 -1.505
85 2H4 C 8 2H4 C 8 2.651 6.433 -2.904
86 H5 C 8 5H C 8 1.958 7.527 -4.935
87 H6 C 8 6H C 8 0.138 8.733 -6.049
88 1H5* U 9 1H5* U 9 -3.743 13.552 -4.726
89 2H5* U 9 2H5* U 9 -3.396 15.200 -4.167
90 H4* U 9 H4* U 9 -4.759 13.937 -2.524
91 H3* U 9 H3* U 9 -1.924 14.736 -1.758
92 H2* U 9 H2* U 9 -2.331 13.839 0.409
93 2HO* U 9 2HO U 9 -5.031 13.252 -0.070
94 H1* U 9 H1* U 9 -3.736 11.608 -0.412
95 H3 U 9 3H U 9 0.108 9.954 1.293
96 H5 U 9 5H U 9 1.310 11.766 -2.316
97 H6 U 9 6H U 9 -0.945 12.633 -2.555
98 1H5* G 10 1H5* G 10 -4.052 16.930 1.246
99 2H5* G 10 2H5* G 10 -3.046 18.303 1.747
100 H4* G 10 H4* G 10 -3.202 16.493 3.477
101 H3* G 10 H3* G 10 -0.546 17.318 2.263
102 H2* G 10 H2* G 10 0.577 15.722 3.664
103 2HO* G 10 2HO G 10 -0.433 14.719 5.367
104 H1* G 10 H1* G 10 -1.007 13.647 3.084
105 H8 G 10 8H G 10 -1.202 15.781 0.032
106 H1 G 10 1H G 10 4.394 12.768 0.453
107 1H2 G 10 1H2 G 10 4.418 11.592 2.436
108 2H2 G 10 2H2 G 10 3.659 12.418 3.779
109 1H5* C 11 1H5* C 11 -0.141 19.836 6.300
110 2H5* C 11 2H5* C 11 1.032 21.046 5.750
111 H4* C 11 H4* C 11 2.808 19.733 6.239
112 H3* C 11 H3* C 11 1.639 17.947 4.443
113 H2* C 11 H2* C 11 0.611 16.351 5.764
114 2HO* C 11 2HO C 11 3.317 16.047 6.265
115 H1* C 11 H1* C 11 1.608 16.842 8.400
116 1H4 C 11 1H4 C 11 -4.620 17.026 9.558
117 2H4 C 11 2H4 C 11 -4.974 17.538 7.923
118 H5 C 11 5H C 11 -3.276 17.837 6.243
119 H6 C 11 6H C 11 -0.871 17.869 5.799
120 1H5* A 12 1H5* A 12 6.367 15.265 4.123
121 2H5* A 12 2H5* A 12 5.379 13.963 4.813
122 H4* A 12 H4* A 12 6.055 16.648 6.067
123 H3* A 12 H3* A 12 7.018 13.875 6.368
124 H2* A 12 H2* A 12 5.927 13.464 8.372
125 2HO* A 12 2HO A 12 6.535 15.308 10.018
126 H1* A 12 H1* A 12 5.119 16.313 8.740
127 H8 A 12 8H A 12 2.169 14.810 7.711
128 1H6 A 12 1H6 A 12 0.626 13.142 12.608
129 2H6 A 12 2H6 A 12 1.200 11.533 12.233
130 H2 A 12 2H A 12 5.589 13.401 12.928
131 1H5* U 13 1H5* U 13 11.103 15.904 7.305
132 2H5* U 13 2H5* U 13 12.077 14.864 6.249
133 H4* U 13 H4* U 13 12.200 13.311 7.857
134 H3* U 13 H3* U 13 9.531 12.990 7.021
135 H2* U 13 H2* U 13 8.497 14.009 8.870
136 2HO* U 13 2HO U 13 9.141 11.961 10.578
137 H1* U 13 H1* U 13 10.702 13.197 10.750
138 H3 U 13 3H U 13 8.894 15.683 13.999
139 H5 U 13 5H U 13 7.832 17.816 10.519
140 H6 U 13 6H U 13 9.034 16.155 9.219
141 1H5* A 14 1H5* A 14 9.388 10.445 9.681
142 2H5* A 14 2H5* A 14 9.222 8.684 9.532
143 H4* A 14 H4* A 14 7.326 9.775 10.764
144 H3* A 14 H3* A 14 7.148 7.890 8.546
145 H2* A 14 H2* A 14 5.551 9.071 7.324
146 2HO* A 14 2HO A 14 3.484 9.224 8.825
147 H1* A 14 H1* A 14 4.729 10.782 9.627
148 H8 A 14 8H A 14 6.744 11.710 6.493
149 1H6 A 14 1H6 A 14 3.183 13.725 3.932
150 2H6 A 14 2H6 A 14 1.541 14.164 4.349
151 H2 A 14 2H A 14 0.592 12.059 8.184
152 1H5* A 15 1H5* A 15 3.200 7.226 11.222
153 2H5* A 15 2H5* A 15 2.756 5.541 10.884
154 H4* A 15 H4* A 15 0.923 7.192 10.395
155 H3* A 15 H3* A 15 2.090 5.403 8.239
156 H2* A 15 H2* A 15 0.623 6.333 6.663
157 2HO* A 15 2HO A 15 -0.958 7.688 8.554
158 H1* A 15 H1* A 15 0.490 8.930 7.714
159 H8 A 15 8H A 15 3.967 7.452 7.136
160 1H6 A 15 1H6 A 15 3.547 9.585 1.367
161 2H6 A 15 2H6 A 15 4.642 8.959 2.582
162 H2 A 15 2H A 15 -0.396 10.266 3.397
163 1H5* G 16 1H5* G 16 -2.257 5.420 8.796
164 2H5* G 16 2H5* G 16 -2.991 3.806 8.718
165 H4* G 16 H4* G 16 -4.294 5.464 7.417
166 H3* G 16 H3* G 16 -2.895 3.196 5.958
167 H2* G 16 H2* G 16 -3.743 3.991 3.917
168 2HO* G 16 2HO G 16 -5.657 5.023 3.753
169 H1* G 16 H1* G 16 -3.784 6.739 4.560
170 H8 G 16 8H G 16 -0.519 4.825 5.064
171 H1 G 16 1H G 16 -1.298 7.086 -0.844
172 1H2 G 16 1H2 G 16 -3.490 7.622 -1.127
173 2H2 G 16 2H2 G 16 -4.386 8.158 0.276
174 1H5* G 17 1H5* G 17 -7.102 3.807 5.383
175 2H5* G 17 2H5* G 17 -8.142 2.411 5.039
176 H4* G 17 H4* G 17 -8.428 4.266 3.390
177 H3* G 17 H3* G 17 -7.498 1.510 2.593
178 H2* G 17 H2* G 17 -7.113 2.157 0.373
179 2HO* G 17 2HO G 17 -8.627 4.542 0.749
180 H1* G 17 H1* G 17 -6.396 4.829 0.778
181 H8 G 17 8H G 17 -4.699 2.105 2.857
182 H1 G 17 1H G 17 -1.735 3.406 -2.635
183 1H2 G 17 1H2 G 17 -2.984 4.761 -3.867
184 2H2 G 17 2H2 G 17 -4.538 5.356 -3.330
185 1H5* A 18 1H5* A 18 -8.778 2.843 -1.139
186 2H5* A 18 2H5* A 18 -10.342 2.019 -1.300
187 H4* A 18 H4* A 18 -9.365 1.183 -3.181
188 H3* A 18 H3* A 18 -8.949 -0.594 -0.907
189 H2* A 18 H2* A 18 -6.666 -0.839 -1.248
190 2HO* A 18 2HO A 18 -7.667 -2.739 -2.298
191 H1* A 18 H1* A 18 -6.974 0.034 -4.138
192 H8 A 18 8H A 18 -4.968 0.707 -0.879
193 1H6 A 18 1H6 A 18 0.050 0.511 -4.446
194 2H6 A 18 2H6 A 18 -0.540 0.666 -2.806
195 H2 A 18 2H A 18 -3.551 -0.037 -7.078
196 1H5* U 19 1H5* U 19 -8.867 -5.133 -3.407
197 2H5* U 19 2H5* U 19 -8.350 -4.787 -5.071
198 H4* U 19 H4* U 19 -10.162 -5.848 -5.862
199 H3* U 19 H3* U 19 -11.518 -3.656 -4.289
200 H2* U 19 H2* U 19 -13.569 -4.795 -4.237
201 2HO* U 19 2HO U 19 -14.126 -5.619 -6.106
202 H1* U 19 H1* U 19 -12.654 -7.373 -3.952
203 H3 U 19 3H U 19 -14.955 -5.929 -0.236
204 H5 U 19 5H U 19 -10.949 -4.757 0.349
205 H6 U 19 6H U 19 -10.496 -5.394 -1.949
206 1H5* G 20 1H5* G 20 -9.553 -3.681 -6.979
207 2H5* G 20 2H5* G 20 -9.825 -2.592 -8.354
208 H4* G 20 H4* G 20 -8.174 -3.755 -9.686
209 H3* G 20 H3* G 20 -8.618 -5.916 -7.750
210 H2* G 20 H2* G 20 -6.610 -5.698 -6.658
211 2HO* G 20 2HO G 20 -6.109 -7.206 -8.479
212 H1* G 20 H1* G 20 -5.410 -3.937 -8.782
213 H8 G 20 8H G 20 -6.630 -2.846 -5.346
214 H1 G 20 1H G 20 -0.349 -3.899 -5.565
215 1H2 G 20 1H2 G 20 0.184 -4.884 -7.491
216 2H2 G 20 2H2 G 20 -0.934 -4.917 -8.835
217 1H5* A 21 1H5* A 21 -5.489 -6.742 -10.522
218 2H5* A 21 2H5* A 21 -5.585 -8.301 -11.365
219 H4* A 21 H4* A 21 -3.356 -8.252 -10.671
220 H3* A 21 H3* A 21 -4.987 -9.628 -8.493
221 H2* A 21 H2* A 21 -2.973 -9.966 -7.334
222 2HO* A 21 2HO A 21 -1.833 -9.801 -9.923
223 H1* A 21 H1* A 21 -1.651 -7.651 -8.338
224 H8 A 21 8H A 21 -4.885 -6.997 -6.494
225 1H6 A 21 1H6 A 21 -1.555 -6.882 -1.315
226 2H6 A 21 2H6 A 21 -3.163 -6.709 -1.983
227 H2 A 21 2H A 21 1.078 -8.378 -4.625
228 1H5* A 22 1H5* A 22 -1.650 -12.115 -10.501
229 2H5* A 22 2H5* A 22 -2.105 -13.829 -10.455
230 H4* A 22 H4* A 22 0.235 -13.473 -9.713
231 H3* A 22 H3* A 22 -1.808 -14.498 -7.707
232 H2* A 22 H2* A 22 -0.141 -14.583 -6.066
233 2HO* A 22 2HO A 22 1.687 -14.689 -8.256
234 H1* A 22 H1* A 22 1.478 -12.476 -7.055
235 H8 A 22 8H A 22 -2.162 -11.680 -6.296
236 1H6 A 22 1H6 A 22 -0.333 -10.382 -0.565
237 2H6 A 22 2H6 A 22 -1.710 -10.463 -1.640
238 H2 A 22 2H A 22 3.106 -12.318 -2.735
239 1H5* C 23 1H5* C 23 1.889 -16.883 -8.453
240 2H5* C 23 2H5* C 23 1.674 -18.621 -8.177
241 H4* C 23 H4* C 23 3.688 -17.770 -7.034
242 H3* C 23 H3* C 23 1.375 -18.764 -5.327
243 H2* C 23 H2* C 23 2.702 -18.377 -3.398
244 2HO* C 23 2HO C 23 4.978 -17.807 -3.667
245 H1* C 23 H1* C 23 3.770 -15.970 -4.177
246 1H4 C 23 1H4 C 23 -1.441 -15.018 -0.550
247 2H4 C 23 2H4 C 23 -2.310 -14.624 -2.015
248 H5 C 23 5H C 23 -1.626 -15.996 -4.015
249 H6 C 23 6H C 23 0.354 -16.601 -5.318
250 1H5* C 24 1H5* C 24 4.570 -21.277 -4.035
251 2H5* C 24 2H5* C 24 3.968 -22.929 -3.782
252 H4* C 24 H4* C 24 4.810 -21.929 -1.677
253 H3* C 24 H3* C 24 1.853 -22.520 -1.979
254 H2* C 24 H2* C 24 1.467 -21.808 0.224
255 2HO* C 24 2HO C 24 4.293 -21.702 0.637
256 H1* C 24 H1* C 24 3.168 -19.641 0.176
257 1H4 C 24 1H4 C 24 -2.704 -17.464 -0.937
258 2H4 C 24 2H4 C 24 -2.514 -17.806 -2.644
259 H5 C 24 5H C 24 -0.655 -19.069 -3.536
260 H6 C 24 6H C 24 1.483 -20.140 -3.002
261 H3T C 24 H3T C 24 3.875 -24.031 -1.709
Start of MODEL 12
1 1H5* G 1 1H5* G 1 -6.509 -15.641 7.658
2 2H5* G 1 2H5* G 1 -5.772 -14.208 8.402
3 H4* G 1 H4* G 1 -4.280 -15.926 8.981
4 H3* G 1 H3* G 1 -3.387 -14.410 6.521
5 H2* G 1 H2* G 1 -1.552 -15.864 6.207
6 2HO* G 1 2HO G 1 -1.749 -17.477 8.392
7 H1* G 1 H1* G 1 -2.767 -18.231 6.832
8 H8 G 1 8H G 1 -5.259 -16.273 4.854
9 H1 G 1 1H G 1 -0.614 -18.629 1.172
10 1H2 G 1 1H2 G 1 1.020 -19.441 2.449
11 2H2 G 1 2H2 G 1 1.001 -19.308 4.191
12 H5T G 1 H5T G 1 -5.948 -13.440 6.462
13 1H5* G 2 1H5* G 2 0.168 -14.346 9.169
14 2H5* G 2 2H5* G 2 0.672 -12.653 9.340
15 H4* G 2 H4* G 2 2.596 -13.959 8.656
16 H3* G 2 H3* G 2 1.376 -12.071 6.638
17 H2* G 2 H2* G 2 2.879 -12.771 4.951
18 2HO* G 2 2HO G 2 4.351 -14.065 7.040
19 H1* G 2 H1* G 2 2.850 -15.446 5.440
20 H8 G 2 8H G 2 -0.573 -13.904 6.012
21 H1 G 2 1H G 2 0.624 -15.144 -0.126
22 1H2 G 2 1H2 G 2 2.728 -15.825 -0.362
23 2H2 G 2 2H2 G 2 3.895 -15.693 0.936
24 1H5* U 3 1H5* U 3 5.509 -11.779 6.362
25 2H5* U 3 2H5* U 3 6.110 -10.119 6.180
26 H4* U 3 H4* U 3 6.832 -11.567 4.304
27 H3* U 3 H3* U 3 4.937 -9.255 3.773
28 H2* U 3 H2* U 3 4.956 -9.781 1.461
29 2HO* U 3 2HO U 3 6.691 -10.599 0.543
30 H1* U 3 H1* U 3 4.844 -12.518 1.705
31 H3 U 3 3H U 3 0.825 -11.353 0.020
32 H5 U 3 5H U 3 0.632 -10.108 4.042
33 H6 U 3 6H U 3 2.979 -10.694 4.266
34 1H5* U 4 1H5* U 4 8.151 -8.953 0.983
35 2H5* U 4 2H5* U 4 8.650 -7.266 0.739
36 H4* U 4 H4* U 4 7.990 -8.331 -1.394
37 H3* U 4 H3* U 4 6.247 -6.087 -0.300
38 H2* U 4 H2* U 4 4.930 -6.232 -2.248
39 2HO* U 4 2HO U 4 5.725 -6.874 -4.169
40 H1* U 4 H1* U 4 5.176 -9.007 -2.635
41 H3 U 4 3H U 4 0.734 -8.320 -2.270
42 H5 U 4 5H U 4 2.183 -7.560 1.612
43 H6 U 4 6H U 4 4.439 -7.752 0.737
44 1H5* C 5 1H5* C 5 7.740 -5.680 -4.364
45 2H5* C 5 2H5* C 5 8.482 -4.093 -4.646
46 H4* C 5 H4* C 5 7.162 -4.633 -6.591
47 H3* C 5 H3* C 5 5.997 -2.542 -4.731
48 H2* C 5 H2* C 5 4.086 -2.345 -6.086
49 2HO* C 5 2HO C 5 4.216 -3.440 -8.283
50 H1* C 5 H1* C 5 3.899 -4.996 -6.935
51 1H4 C 5 1H4 C 5 -0.640 -3.982 -2.581
52 2H4 C 5 2H4 C 5 0.516 -4.256 -1.297
53 H5 C 5 5H C 5 2.902 -4.356 -1.688
54 H6 C 5 6H C 5 4.650 -4.384 -3.398
55 1H5* C 6 1H5* C 6 6.807 -0.527 -8.550
56 2H5* C 6 2H5* C 6 6.579 1.233 -8.477
57 H4* C 6 H4* C 6 4.648 -0.209 -9.442
58 H3* C 6 H3* C 6 4.436 1.994 -7.379
59 H2* C 6 H2* C 6 2.115 1.617 -7.129
60 2HO* C 6 2HO C 6 1.841 -0.310 -9.110
61 H1* C 6 H1* C 6 2.127 -1.113 -7.195
62 1H4 C 6 1H4 C 6 4.049 0.644 -1.127
63 2H4 C 6 2H4 C 6 2.306 0.778 -1.093
64 H5 C 6 5H C 6 5.304 0.279 -3.153
65 H6 C 6 6H C 6 5.150 -0.153 -5.560
66 1H5* C 7 1H5* C 7 2.251 3.999 -11.043
67 2H5* C 7 2H5* C 7 2.869 5.662 -10.986
68 H4* C 7 H4* C 7 0.416 5.640 -10.776
69 H3* C 7 H3* C 7 2.057 6.462 -8.353
70 H2* C 7 H2* C 7 0.059 6.870 -7.169
71 2HO* C 7 2HO C 7 -1.032 7.122 -9.768
72 H1* C 7 H1* C 7 -1.470 4.812 -8.290
73 1H4 C 7 1H4 C 7 0.087 2.940 -2.412
74 2H4 C 7 2H4 C 7 1.692 2.504 -2.957
75 H5 C 7 5H C 7 2.540 3.082 -5.138
76 H6 C 7 6H C 7 1.973 4.017 -7.333
77 1H5* C 8 1H5* C 8 -0.879 9.509 -9.365
78 2H5* C 8 2H5* C 8 -0.262 11.151 -9.089
79 H4* C 8 H4* C 8 -2.389 10.750 -7.872
80 H3* C 8 H3* C 8 0.166 11.224 -6.305
81 H2* C 8 H2* C 8 -1.048 11.049 -4.288
82 2HO* C 8 2HO C 8 -3.575 10.840 -4.828
83 H1* C 8 H1* C 8 -2.804 9.046 -5.061
84 1H4 C 8 1H4 C 8 1.704 6.335 -1.474
85 2H4 C 8 2H4 C 8 2.815 6.342 -2.825
86 H5 C 8 5H C 8 2.358 7.486 -4.899
87 H6 C 8 6H C 8 0.672 8.716 -6.186
88 1H5* U 9 1H5* U 9 -3.218 13.314 -5.193
89 2H5* U 9 2H5* U 9 -3.050 14.998 -4.659
90 H4* U 9 H4* U 9 -4.319 13.629 -3.021
91 H3* U 9 H3* U 9 -1.611 14.763 -2.231
92 H2* U 9 H2* U 9 -1.848 13.802 -0.094
93 2HO* U 9 2HO U 9 -4.625 13.781 -0.725
94 H1* U 9 H1* U 9 -3.272 11.507 -0.864
95 H3 U 9 3H U 9 0.444 9.875 1.110
96 H5 U 9 5H U 9 1.882 11.610 -2.449
97 H6 U 9 6H U 9 -0.339 12.506 -2.832
98 1H5* G 10 1H5* G 10 -4.319 16.469 0.741
99 2H5* G 10 2H5* G 10 -3.549 17.894 1.467
100 H4* G 10 H4* G 10 -3.769 15.827 2.958
101 H3* G 10 H3* G 10 -1.318 17.490 2.502
102 H2* G 10 H2* G 10 0.154 15.973 3.523
103 2HO* G 10 2HO G 10 -1.154 14.078 4.670
104 H1* G 10 H1* G 10 -0.926 13.593 2.758
105 H8 G 10 8H G 10 -1.037 16.193 -0.007
106 H1 G 10 1H G 10 4.477 13.023 0.309
107 1H2 G 10 1H2 G 10 4.489 11.720 2.117
108 2H2 G 10 2H2 G 10 3.368 12.009 3.429
109 1H5* C 11 1H5* C 11 -2.269 18.889 6.983
110 2H5* C 11 2H5* C 11 -1.413 20.444 6.958
111 H4* C 11 H4* C 11 0.586 19.484 7.386
112 H3* C 11 H3* C 11 -0.155 17.899 5.051
113 H2* C 11 H2* C 11 0.302 15.765 5.789
114 2HO* C 11 2HO C 11 2.375 15.610 6.140
115 H1* C 11 H1* C 11 0.414 15.991 8.561
116 1H4 C 11 1H4 C 11 -5.429 13.730 6.424
117 2H4 C 11 2H4 C 11 -5.284 13.246 8.100
118 H5 C 11 5H C 11 -4.253 15.819 5.778
119 H6 C 11 6H C 11 -2.095 16.971 5.960
120 1H5* A 12 1H5* A 12 3.412 18.830 7.848
121 2H5* A 12 2H5* A 12 4.603 19.328 6.630
122 H4* A 12 H4* A 12 5.930 19.018 8.546
123 H3* A 12 H3* A 12 6.496 17.386 6.481
124 H2* A 12 H2* A 12 4.919 15.657 7.100
125 2HO* A 12 2HO A 12 6.243 13.951 7.975
126 H1* A 12 H1* A 12 5.957 15.708 9.930
127 H8 A 12 8H A 12 2.533 16.204 8.256
128 1H6 A 12 1H6 A 12 0.167 12.716 10.846
129 2H6 A 12 2H6 A 12 0.804 11.099 11.041
130 H2 A 12 2H A 12 5.154 11.882 12.132
131 1H5* U 13 1H5* U 13 8.126 14.702 9.071
132 2H5* U 13 2H5* U 13 9.901 14.715 9.073
133 H4* U 13 H4* U 13 9.043 12.411 8.979
134 H3* U 13 H3* U 13 11.055 13.406 7.414
135 H2* U 13 H2* U 13 9.794 13.888 5.478
136 2HO* U 13 2HO U 13 11.272 11.791 5.288
137 H1* U 13 H1* U 13 8.127 11.397 5.706
138 H3 U 13 3H U 13 5.822 12.898 2.188
139 H5 U 13 5H U 13 5.896 16.233 4.759
140 H6 U 13 6H U 13 7.416 15.002 6.210
141 1H5* A 14 1H5* A 14 8.763 10.410 9.778
142 2H5* A 14 2H5* A 14 8.373 8.798 9.144
143 H4* A 14 H4* A 14 6.611 10.173 10.593
144 H3* A 14 H3* A 14 6.383 8.131 8.500
145 H2* A 14 H2* A 14 4.789 9.260 7.240
146 2HO* A 14 2HO A 14 2.806 9.616 8.900
147 H1* A 14 H1* A 14 4.107 11.159 9.451
148 H8 A 14 8H A 14 5.886 11.538 6.041
149 1H6 A 14 1H6 A 14 0.795 14.470 4.208
150 2H6 A 14 2H6 A 14 2.370 13.897 3.706
151 H2 A 14 2H A 14 0.101 12.858 8.327
152 1H5* A 15 1H5* A 15 2.450 7.713 11.246
153 2H5* A 15 2H5* A 15 1.944 6.034 10.980
154 H4* A 15 H4* A 15 0.157 7.691 10.431
155 H3* A 15 H3* A 15 1.295 5.852 8.302
156 H2* A 15 H2* A 15 -0.179 6.785 6.711
157 2HO* A 15 2HO A 15 -2.119 7.515 7.241
158 H1* A 15 H1* A 15 -0.082 9.409 7.564
159 H8 A 15 8H A 15 3.271 7.564 7.395
160 1H6 A 15 1H6 A 15 3.552 9.296 1.495
161 2H6 A 15 2H6 A 15 4.463 8.642 2.838
162 H2 A 15 2H A 15 -0.433 10.561 3.126
163 1H5* G 16 1H5* G 16 -2.887 6.127 8.623
164 2H5* G 16 2H5* G 16 -3.832 4.627 8.532
165 H4* G 16 H4* G 16 -4.774 6.399 7.074
166 H3* G 16 H3* G 16 -3.621 3.890 5.812
167 H2* G 16 H2* G 16 -4.129 4.723 3.682
168 2HO* G 16 2HO G 16 -5.902 6.647 4.812
169 H1* G 16 H1* G 16 -3.927 7.489 4.284
170 H8 G 16 8H G 16 -0.938 5.200 4.962
171 H1 G 16 1H G 16 -1.116 7.537 -0.969
172 1H2 G 16 1H2 G 16 -2.946 8.862 -1.169
173 2H2 G 16 2H2 G 16 -4.348 8.487 -0.194
174 1H5* G 17 1H5* G 17 -7.396 5.215 4.772
175 2H5* G 17 2H5* G 17 -8.738 4.101 4.441
176 H4* G 17 H4* G 17 -8.506 5.755 2.630
177 H3* G 17 H3* G 17 -7.954 2.832 2.091
178 H2* G 17 H2* G 17 -7.278 3.277 -0.105
179 2HO* G 17 2HO G 17 -8.481 5.857 -0.036
180 H1* G 17 H1* G 17 -6.301 5.901 0.251
181 H8 G 17 8H G 17 -4.978 3.065 2.448
182 H1 G 17 1H G 17 -1.674 3.941 -2.936
183 1H2 G 17 1H2 G 17 -2.764 5.335 -4.273
184 2H2 G 17 2H2 G 17 -4.238 6.143 -3.787
185 1H5* A 18 1H5* A 18 -8.733 4.076 -1.851
186 2H5* A 18 2H5* A 18 -10.369 3.429 -2.099
187 H4* A 18 H4* A 18 -9.343 2.311 -3.798
188 H3* A 18 H3* A 18 -9.350 0.718 -1.359
189 H2* A 18 H2* A 18 -7.090 0.187 -1.449
190 2HO* A 18 2HO A 18 -7.528 -1.129 -3.906
191 H1* A 18 H1* A 18 -7.029 0.811 -4.417
192 H8 A 18 8H A 18 -5.263 1.456 -1.021
193 1H6 A 18 1H6 A 18 0.009 0.638 -4.101
194 2H6 A 18 2H6 A 18 -0.707 0.905 -2.526
195 H2 A 18 2H A 18 -3.383 0.318 -7.035
196 1H5* U 19 1H5* U 19 -8.851 -2.370 -3.625
197 2H5* U 19 2H5* U 19 -10.359 -3.079 -4.235
198 H4* U 19 H4* U 19 -8.433 -4.642 -3.337
199 H3* U 19 H3* U 19 -11.421 -4.855 -2.885
200 H2* U 19 H2* U 19 -11.118 -6.705 -1.465
201 2HO* U 19 2HO U 19 -9.797 -7.981 -2.715
202 H1* U 19 H1* U 19 -8.722 -5.941 -0.278
203 H3 U 19 3H U 19 -11.743 -6.157 3.089
204 H5 U 19 5H U 19 -12.778 -2.648 0.995
205 H6 U 19 6H U 19 -11.139 -3.249 -0.690
206 1H5* G 20 1H5* G 20 -10.265 -2.816 -7.402
207 2H5* G 20 2H5* G 20 -10.674 -4.452 -7.961
208 H4* G 20 H4* G 20 -8.668 -3.660 -9.106
209 H3* G 20 H3* G 20 -8.701 -6.039 -7.394
210 H2* G 20 H2* G 20 -6.656 -5.666 -6.403
211 2HO* G 20 2HO G 20 -6.179 -6.349 -9.007
212 H1* G 20 H1* G 20 -5.837 -3.569 -8.396
213 H8 G 20 8H G 20 -6.921 -2.640 -4.933
214 H1 G 20 1H G 20 -0.654 -3.770 -5.254
215 1H2 G 20 1H2 G 20 -0.157 -4.710 -7.206
216 2H2 G 20 2H2 G 20 -1.324 -4.822 -8.504
217 1H5* A 21 1H5* A 21 -5.653 -6.756 -10.646
218 2H5* A 21 2H5* A 21 -5.839 -8.419 -11.234
219 H4* A 21 H4* A 21 -3.530 -8.125 -10.647
220 H3* A 21 H3* A 21 -5.087 -9.683 -8.537
221 H2* A 21 H2* A 21 -3.049 -9.991 -7.409
222 2HO* A 21 2HO A 21 -1.520 -9.158 -9.647
223 H1* A 21 H1* A 21 -1.839 -7.567 -8.291
224 H8 A 21 8H A 21 -5.089 -7.143 -6.420
225 1H6 A 21 1H6 A 21 -1.806 -7.373 -1.210
226 2H6 A 21 2H6 A 21 -3.374 -7.014 -1.899
227 H2 A 21 2H A 21 0.904 -8.471 -4.608
228 1H5* A 22 1H5* A 22 -1.621 -11.756 -10.520
229 2H5* A 22 2H5* A 22 -1.903 -13.503 -10.649
230 H4* A 22 H4* A 22 0.354 -13.003 -9.759
231 H3* A 22 H3* A 22 -1.659 -14.362 -7.926
232 H2* A 22 H2* A 22 -0.025 -14.459 -6.248
233 2HO* A 22 2HO A 22 2.094 -13.835 -8.014
234 H1* A 22 H1* A 22 1.415 -12.132 -7.011
235 H8 A 22 8H A 22 -2.285 -11.680 -6.283
236 1H6 A 22 1H6 A 22 -0.679 -10.556 -0.493
237 2H6 A 22 2H6 A 22 -2.044 -11.113 -1.434
238 H2 A 22 2H A 22 2.927 -12.296 -2.630
239 1H5* C 23 1H5* C 23 2.221 -16.349 -8.777
240 2H5* C 23 2H5* C 23 2.155 -18.120 -8.714
241 H4* C 23 H4* C 23 4.069 -17.263 -7.427
242 H3* C 23 H3* C 23 1.809 -18.591 -5.887
243 H2* C 23 H2* C 23 3.091 -18.332 -3.906
244 2HO* C 23 2HO C 23 5.163 -18.706 -4.148
245 H1* C 23 H1* C 23 4.007 -15.793 -4.410
246 1H4 C 23 1H4 C 23 -1.190 -15.318 -0.726
247 2H4 C 23 2H4 C 23 -2.201 -15.316 -2.152
248 H5 C 23 5H C 23 -1.380 -16.150 -4.287
249 H6 C 23 6H C 23 0.630 -16.505 -5.636
250 1H5* C 24 1H5* C 24 5.116 -20.994 -4.771
251 2H5* C 24 2H5* C 24 4.624 -22.699 -4.694
252 H4* C 24 H4* C 24 5.329 -21.855 -2.476
253 H3* C 24 H3* C 24 2.428 -22.591 -2.935
254 H2* C 24 H2* C 24 1.924 -22.103 -0.700
255 2HO* C 24 2HO C 24 3.356 -22.807 0.693
256 H1* C 24 H1* C 24 3.554 -19.877 -0.460
257 1H4 C 24 1H4 C 24 -2.348 -17.724 -1.397
258 2H4 C 24 2H4 C 24 -2.169 -17.943 -3.125
259 H5 C 24 5H C 24 -0.271 -19.054 -4.126
260 H6 C 24 6H C 24 1.887 -20.128 -3.685
261 H3T C 24 H3T C 24 3.213 -24.492 -2.431
Start of MODEL 13
1 1H5* G 1 1H5* G 1 -7.237 -14.569 6.726
2 2H5* G 1 2H5* G 1 -6.468 -13.061 7.265
3 H4* G 1 H4* G 1 -5.137 -14.755 8.226
4 H3* G 1 H3* G 1 -3.976 -13.598 5.689
5 H2* G 1 H2* G 1 -2.182 -15.138 5.712
6 2HO* G 1 2HO G 1 -1.335 -15.611 7.589
7 H1* G 1 H1* G 1 -3.539 -17.370 6.453
8 H8 G 1 8H G 1 -5.841 -15.534 4.163
9 H1 G 1 1H G 1 -1.042 -18.265 0.976
10 1H2 G 1 1H2 G 1 0.539 -18.912 2.400
11 2H2 G 1 2H2 G 1 0.338 -18.805 4.134
12 H5T G 1 H5T G 1 -5.679 -12.725 5.283
13 1H5* G 2 1H5* G 2 -0.729 -13.334 8.746
14 2H5* G 2 2H5* G 2 -0.020 -11.708 8.667
15 H4* G 2 H4* G 2 1.724 -13.432 8.464
16 H3* G 2 H3* G 2 1.115 -11.601 6.140
17 H2* G 2 H2* G 2 2.680 -12.708 4.754
18 2HO* G 2 2HO G 2 4.169 -12.861 6.748
19 H1* G 2 H1* G 2 2.117 -15.272 5.444
20 H8 G 2 8H G 2 -1.084 -13.274 5.446
21 H1 G 2 1H G 2 0.741 -14.979 -0.415
22 1H2 G 2 1H2 G 2 2.779 -15.858 -0.354
23 2H2 G 2 2H2 G 2 3.757 -15.839 1.097
24 1H5* U 3 1H5* U 3 5.411 -11.432 6.477
25 2H5* U 3 2H5* U 3 5.963 -9.755 6.310
26 H4* U 3 H4* U 3 6.986 -11.219 4.600
27 H3* U 3 H3* U 3 5.096 -8.998 3.779
28 H2* U 3 H2* U 3 5.324 -9.597 1.497
29 2HO* U 3 2HO U 3 6.996 -11.526 1.249
30 H1* U 3 H1* U 3 5.209 -12.305 1.782
31 H3 U 3 3H U 3 1.262 -11.068 -0.083
32 H5 U 3 5H U 3 0.863 -10.028 3.984
33 H6 U 3 6H U 3 3.197 -10.626 4.294
34 1H5* U 4 1H5* U 4 8.475 -8.541 1.204
35 2H5* U 4 2H5* U 4 8.885 -6.824 1.023
36 H4* U 4 H4* U 4 8.369 -7.878 -1.162
37 H3* U 4 H3* U 4 6.508 -5.727 -0.083
38 H2* U 4 H2* U 4 5.213 -5.897 -2.038
39 2HO* U 4 2HO U 4 7.496 -6.080 -3.220
40 H1* U 4 H1* U 4 5.565 -8.642 -2.489
41 H3 U 4 3H U 4 1.107 -8.028 -2.119
42 H5 U 4 5H U 4 2.536 -7.407 1.796
43 H6 U 4 6H U 4 4.795 -7.555 0.922
44 1H5* C 5 1H5* C 5 8.368 -4.818 -4.356
45 2H5* C 5 2H5* C 5 8.698 -3.077 -4.265
46 H4* C 5 H4* C 5 7.660 -3.566 -6.409
47 H3* C 5 H3* C 5 5.838 -2.191 -4.386
48 H2* C 5 H2* C 5 4.242 -1.951 -6.166
49 2HO* C 5 2HO C 5 5.334 -3.224 -8.212
50 H1* C 5 H1* C 5 4.453 -4.538 -7.002
51 1H4 C 5 1H4 C 5 -0.116 -4.362 -2.545
52 2H4 C 5 2H4 C 5 1.090 -4.523 -1.288
53 H5 C 5 5H C 5 3.464 -4.491 -1.723
54 H6 C 5 6H C 5 5.180 -4.242 -3.450
55 1H5* C 6 1H5* C 6 6.412 -1.388 -9.363
56 2H5* C 6 2H5* C 6 6.730 0.225 -10.030
57 H4* C 6 H4* C 6 4.308 -0.131 -9.747
58 H3* C 6 H3* C 6 5.680 1.902 -7.957
59 H2* C 6 H2* C 6 3.655 2.344 -6.886
60 2HO* C 6 2HO C 6 1.617 1.695 -7.983
61 H1* C 6 H1* C 6 2.444 -0.203 -7.256
62 1H4 C 6 1H4 C 6 3.449 0.777 -1.040
63 2H4 C 6 2H4 C 6 5.157 0.456 -1.248
64 H5 C 6 5H C 6 6.199 0.304 -3.423
65 H6 C 6 6H C 6 5.794 0.087 -5.830
66 1H5* C 7 1H5* C 7 1.748 3.160 -10.760
67 2H5* C 7 2H5* C 7 2.151 4.872 -11.002
68 H4* C 7 H4* C 7 -0.233 4.649 -10.507
69 H3* C 7 H3* C 7 1.515 5.891 -8.353
70 H2* C 7 H2* C 7 -0.404 6.219 -7.026
71 2HO* C 7 2HO C 7 -2.547 5.991 -8.013
72 H1* C 7 H1* C 7 -1.784 3.912 -7.772
73 1H4 C 7 1H4 C 7 0.598 3.078 -1.905
74 2H4 C 7 2H4 C 7 2.047 2.403 -2.618
75 H5 C 7 5H C 7 2.676 2.998 -4.903
76 H6 C 7 6H C 7 1.789 3.601 -7.105
77 1H5* C 8 1H5* C 8 -2.004 8.240 -9.386
78 2H5* C 8 2H5* C 8 -1.738 9.988 -9.224
79 H4* C 8 H4* C 8 -3.685 9.225 -7.883
80 H3* C 8 H3* C 8 -1.235 10.243 -6.387
81 H2* C 8 H2* C 8 -2.555 10.085 -4.400
82 2HO* C 8 2HO C 8 -4.660 10.145 -6.247
83 H1* C 8 H1* C 8 -3.681 7.649 -4.987
84 1H4 C 8 1H4 C 8 1.388 6.528 -1.289
85 2H4 C 8 2H4 C 8 2.447 6.646 -2.677
86 H5 C 8 5H C 8 1.713 7.515 -4.805
87 H6 C 8 6H C 8 -0.230 8.170 -6.141
88 1H5* U 9 1H5* U 9 -4.517 11.594 -5.015
89 2H5* U 9 2H5* U 9 -4.681 13.284 -4.511
90 H4* U 9 H4* U 9 -5.193 11.683 -2.670
91 H3* U 9 H3* U 9 -2.740 13.477 -2.357
92 H2* U 9 H2* U 9 -2.625 12.669 -0.127
93 2HO* U 9 2HO U 9 -4.584 11.249 0.508
94 H1* U 9 H1* U 9 -3.502 10.063 -0.745
95 H3 U 9 3H U 9 0.585 10.274 1.410
96 H5 U 9 5H U 9 1.404 10.512 -2.709
97 H6 U 9 6H U 9 -0.978 10.671 -3.104
98 1H5* G 10 1H5* G 10 -5.391 15.240 0.685
99 2H5* G 10 2H5* G 10 -4.653 16.778 1.173
100 H4* G 10 H4* G 10 -4.423 14.808 2.808
101 H3* G 10 H3* G 10 -2.173 16.569 1.811
102 H2* G 10 H2* G 10 -0.570 15.288 3.026
103 2HO* G 10 2HO G 10 -2.831 14.071 4.295
104 H1* G 10 H1* G 10 -1.479 12.826 2.385
105 H8 G 10 8H G 10 -2.143 14.883 -0.671
106 H1 G 10 1H G 10 4.028 13.437 -0.033
107 1H2 G 10 1H2 G 10 4.340 12.388 1.937
108 2H2 G 10 2H2 G 10 3.244 12.750 3.253
109 1H5* C 11 1H5* C 11 -2.682 18.980 5.700
110 2H5* C 11 2H5* C 11 -2.623 20.619 5.024
111 H4* C 11 H4* C 11 -0.355 20.600 4.807
112 H3* C 11 H3* C 11 -0.823 18.157 3.425
113 H2* C 11 H2* C 11 0.126 16.531 4.752
114 2HO* C 11 2HO C 11 2.284 17.744 5.805
115 H1* C 11 H1* C 11 0.884 17.777 7.120
116 1H4 C 11 1H4 C 11 -4.766 15.107 8.885
117 2H4 C 11 2H4 C 11 -4.096 13.733 8.035
118 H5 C 11 5H C 11 -3.825 15.496 5.749
119 H6 C 11 6H C 11 -1.998 16.923 4.960
120 1H5* A 12 1H5* A 12 2.990 19.483 4.563
121 2H5* A 12 2H5* A 12 4.422 19.589 3.517
122 H4* A 12 H4* A 12 5.510 18.680 5.301
123 H3* A 12 H3* A 12 4.142 16.382 3.912
124 H2* A 12 H2* A 12 4.432 14.945 5.704
125 2HO* A 12 2HO A 12 6.687 15.073 5.700
126 H1* A 12 H1* A 12 4.754 16.862 7.788
127 H8 A 12 8H A 12 1.955 15.545 5.452
128 1H6 A 12 1H6 A 12 -0.860 13.872 10.675
129 2H6 A 12 2H6 A 12 -0.993 13.919 8.932
130 H2 A 12 2H A 12 2.971 15.976 11.745
131 1H5* U 13 1H5* U 13 8.589 17.034 4.929
132 2H5* U 13 2H5* U 13 9.827 15.783 4.701
133 H4* U 13 H4* U 13 10.259 15.960 6.902
134 H3* U 13 H3* U 13 7.932 14.252 6.703
135 H2* U 13 H2* U 13 6.521 15.577 8.015
136 2HO* U 13 2HO U 13 6.808 15.159 10.203
137 H1* U 13 H1* U 13 8.867 16.910 9.372
138 H3 U 13 3H U 13 4.583 18.252 11.035
139 H5 U 13 5H U 13 5.877 20.892 8.013
140 H6 U 13 6H U 13 7.616 19.295 7.454
141 1H5* A 14 1H5* A 14 9.168 11.899 9.892
142 2H5* A 14 2H5* A 14 9.088 10.228 9.299
143 H4* A 14 H4* A 14 7.057 11.372 10.630
144 H3* A 14 H3* A 14 7.281 9.167 8.706
145 H2* A 14 H2* A 14 5.545 9.874 7.332
146 2HO* A 14 2HO A 14 3.977 9.721 9.707
147 H1* A 14 H1* A 14 4.471 11.786 9.385
148 H8 A 14 8H A 14 6.268 12.567 6.090
149 1H6 A 14 1H6 A 14 2.435 13.791 3.444
150 2H6 A 14 2H6 A 14 0.712 13.734 3.738
151 H2 A 14 2H A 14 0.154 12.149 7.872
152 1H5* A 15 1H5* A 15 3.418 8.332 11.508
153 2H5* A 15 2H5* A 15 3.130 6.591 11.322
154 H4* A 15 H4* A 15 1.145 7.999 10.717
155 H3* A 15 H3* A 15 2.480 6.208 8.657
156 H2* A 15 H2* A 15 0.868 6.866 7.067
157 2HO* A 15 2HO A 15 -1.100 7.857 7.689
158 H1* A 15 H1* A 15 0.598 9.516 7.858
159 H8 A 15 8H A 15 4.156 8.121 7.483
160 1H6 A 15 1H6 A 15 3.771 9.668 1.537
161 2H6 A 15 2H6 A 15 4.884 9.291 2.835
162 H2 A 15 2H A 15 -0.200 10.498 3.450
163 1H5* G 16 1H5* G 16 -1.676 5.990 9.122
164 2H5* G 16 2H5* G 16 -2.442 4.390 9.189
165 H4* G 16 H4* G 16 -3.675 5.939 7.691
166 H3* G 16 H3* G 16 -2.321 3.490 6.521
167 H2* G 16 H2* G 16 -3.031 4.102 4.375
168 2HO* G 16 2HO G 16 -4.846 5.513 4.081
169 H1* G 16 H1* G 16 -3.110 6.910 4.765
170 H8 G 16 8H G 16 0.182 5.141 5.474
171 H1 G 16 1H G 16 -0.586 6.714 -0.654
172 1H2 G 16 1H2 G 16 -2.616 7.636 -0.932
173 2H2 G 16 2H2 G 16 -3.894 7.298 0.213
174 1H5* G 17 1H5* G 17 -6.730 4.050 5.885
175 2H5* G 17 2H5* G 17 -7.629 2.575 5.469
176 H4* G 17 H4* G 17 -7.843 4.549 3.840
177 H3* G 17 H3* G 17 -7.074 1.723 3.083
178 H2* G 17 H2* G 17 -6.672 2.341 0.859
179 2HO* G 17 2HO G 17 -8.101 4.783 1.191
180 H1* G 17 H1* G 17 -5.914 5.041 1.294
181 H8 G 17 8H G 17 -4.032 2.374 3.226
182 H1 G 17 1H G 17 -1.570 3.578 -2.530
183 1H2 G 17 1H2 G 17 -3.043 4.708 -3.760
184 2H2 G 17 2H2 G 17 -4.445 5.469 -3.039
185 1H5* A 18 1H5* A 18 -8.377 2.817 -0.809
186 2H5* A 18 2H5* A 18 -9.896 1.897 -0.876
187 H4* A 18 H4* A 18 -8.779 0.847 -2.577
188 H3* A 18 H3* A 18 -8.498 -0.562 -0.039
189 H2* A 18 H2* A 18 -6.201 -0.813 -0.194
190 2HO* A 18 2HO A 18 -5.638 -2.588 -1.439
191 H1* A 18 H1* A 18 -6.329 -0.387 -3.193
192 H8 A 18 8H A 18 -4.509 0.558 0.095
193 1H6 A 18 1H6 A 18 0.680 0.274 -3.210
194 2H6 A 18 2H6 A 18 0.002 0.668 -1.647
195 H2 A 18 2H A 18 -2.787 -0.355 -6.002
196 1H5* U 19 1H5* U 19 -10.770 -5.377 -1.771
197 2H5* U 19 2H5* U 19 -10.200 -4.819 -3.357
198 H4* U 19 H4* U 19 -12.697 -5.654 -3.037
199 H3* U 19 H3* U 19 -11.600 -3.361 -4.671
200 H2* U 19 H2* U 19 -13.749 -2.596 -5.208
201 2HO* U 19 2HO U 19 -15.369 -4.554 -4.303
202 H1* U 19 H1* U 19 -15.080 -3.289 -2.862
203 H3 U 19 3H U 19 -15.403 1.216 -3.431
204 H5 U 19 5H U 19 -11.542 0.602 -1.860
205 H6 U 19 6H U 19 -11.874 -1.789 -2.146
206 1H5* G 20 1H5* G 20 -9.449 -2.943 -6.084
207 2H5* G 20 2H5* G 20 -10.230 -2.993 -7.677
208 H4* G 20 H4* G 20 -8.268 -3.414 -8.682
209 H3* G 20 H3* G 20 -8.522 -5.812 -7.009
210 H2* G 20 H2* G 20 -6.459 -5.642 -6.006
211 2HO* G 20 2HO G 20 -6.065 -6.782 -8.192
212 H1* G 20 H1* G 20 -5.446 -3.573 -7.937
213 H8 G 20 8H G 20 -6.540 -2.962 -4.346
214 H1 G 20 1H G 20 -0.245 -3.771 -4.939
215 1H2 G 20 1H2 G 20 0.250 -4.404 -7.005
216 2H2 G 20 2H2 G 20 -0.956 -4.491 -8.270
217 1H5* A 21 1H5* A 21 -5.518 -6.647 -10.369
218 2H5* A 21 2H5* A 21 -5.747 -8.326 -10.892
219 H4* A 21 H4* A 21 -3.402 -7.973 -10.374
220 H3* A 21 H3* A 21 -4.914 -9.617 -8.299
221 H2* A 21 H2* A 21 -2.864 -9.927 -7.198
222 2HO* A 21 2HO A 21 -1.325 -9.001 -9.377
223 H1* A 21 H1* A 21 -1.685 -7.469 -8.031
224 H8 A 21 8H A 21 -4.912 -7.144 -6.078
225 1H6 A 21 1H6 A 21 -1.488 -7.304 -0.972
226 2H6 A 21 2H6 A 21 -3.124 -7.232 -1.591
227 H2 A 21 2H A 21 1.155 -8.358 -4.451
228 1H5* A 22 1H5* A 22 -1.436 -11.721 -10.479
229 2H5* A 22 2H5* A 22 -1.806 -13.453 -10.598
230 H4* A 22 H4* A 22 0.511 -13.051 -9.797
231 H3* A 22 H3* A 22 -1.500 -14.372 -7.940
232 H2* A 22 H2* A 22 0.121 -14.507 -6.267
233 2HO* A 22 2HO A 22 2.136 -15.034 -6.718
234 H1* A 22 H1* A 22 1.652 -12.244 -7.009
235 H8 A 22 8H A 22 -2.042 -11.704 -6.291
236 1H6 A 22 1H6 A 22 -0.490 -11.087 -0.367
237 2H6 A 22 2H6 A 22 -1.737 -10.786 -1.557
238 H2 A 22 2H A 22 3.149 -12.463 -2.646
239 1H5* C 23 1H5* C 23 2.364 -16.591 -8.842
240 2H5* C 23 2H5* C 23 2.160 -18.347 -8.705
241 H4* C 23 H4* C 23 4.152 -17.562 -7.469
242 H3* C 23 H3* C 23 1.832 -18.745 -5.907
243 H2* C 23 H2* C 23 3.086 -18.478 -3.907
244 2HO* C 23 2HO C 23 5.378 -17.692 -4.180
245 H1* C 23 H1* C 23 4.106 -15.993 -4.440
246 1H4 C 23 1H4 C 23 -1.291 -15.387 -1.024
247 2H4 C 23 2H4 C 23 -2.105 -14.955 -2.510
248 H5 C 23 5H C 23 -1.283 -16.135 -4.562
249 H6 C 23 6H C 23 0.771 -16.606 -5.797
250 1H5* C 24 1H5* C 24 4.915 -21.164 -4.508
251 2H5* C 24 2H5* C 24 4.373 -22.852 -4.403
252 H4* C 24 H4* C 24 4.909 -21.939 -2.167
253 H3* C 24 H3* C 24 2.031 -22.601 -2.844
254 H2* C 24 H2* C 24 1.363 -22.009 -0.681
255 2HO* C 24 2HO C 24 3.907 -22.807 -0.061
256 H1* C 24 H1* C 24 3.081 -19.849 -0.367
257 1H4 C 24 1H4 C 24 -2.659 -17.494 -1.758
258 2H4 C 24 2H4 C 24 -2.356 -17.736 -3.464
259 H5 C 24 5H C 24 -0.434 -18.931 -4.307
260 H6 C 24 6H C 24 1.639 -20.081 -3.695
261 H3T C 24 H3T C 24 3.386 -23.960 -0.876
Start of MODEL 14
1 1H5* G 1 1H5* G 1 -6.802 -15.565 8.132
2 2H5* G 1 2H5* G 1 -5.976 -13.998 8.241
3 H4* G 1 H4* G 1 -4.534 -15.829 9.056
4 H3* G 1 H3* G 1 -3.786 -14.255 6.588
5 H2* G 1 H2* G 1 -1.883 -15.592 6.209
6 2HO* G 1 2HO G 1 -2.146 -16.959 8.673
7 H1* G 1 H1* G 1 -2.918 -18.036 6.888
8 H8 G 1 8H G 1 -5.536 -16.185 4.945
9 H1 G 1 1H G 1 -0.905 -18.459 1.196
10 1H2 G 1 1H2 G 1 0.691 -19.392 2.483
11 2H2 G 1 2H2 G 1 0.869 -18.886 4.149
12 H5T G 1 H5T G 1 -7.133 -14.504 6.227
13 1H5* G 2 1H5* G 2 -0.178 -14.040 9.130
14 2H5* G 2 2H5* G 2 0.220 -12.323 9.344
15 H4* G 2 H4* G 2 2.217 -13.455 8.598
16 H3* G 2 H3* G 2 0.819 -11.663 6.606
17 H2* G 2 H2* G 2 2.351 -12.237 4.899
18 2HO* G 2 2HO G 2 3.960 -13.078 7.082
19 H1* G 2 H1* G 2 2.582 -14.905 5.410
20 H8 G 2 8H G 2 -0.965 -13.618 5.912
21 H1 G 2 1H G 2 0.384 -15.007 -0.165
22 1H2 G 2 1H2 G 2 2.546 -15.460 -0.374
23 2H2 G 2 2H2 G 2 3.669 -15.319 0.960
24 1H5* U 3 1H5* U 3 4.928 -11.305 6.412
25 2H5* U 3 2H5* U 3 5.573 -9.659 6.235
26 H4* U 3 H4* U 3 6.388 -11.159 4.439
27 H3* U 3 H3* U 3 4.572 -8.826 3.747
28 H2* U 3 H2* U 3 4.702 -9.402 1.451
29 2HO* U 3 2HO U 3 6.268 -10.878 0.674
30 H1* U 3 H1* U 3 4.523 -12.133 1.741
31 H3 U 3 3H U 3 0.589 -10.957 -0.136
32 H5 U 3 5H U 3 0.263 -9.585 3.835
33 H6 U 3 6H U 3 2.588 -10.193 4.168
34 1H5* U 4 1H5* U 4 8.128 -8.566 1.218
35 2H5* U 4 2H5* U 4 8.615 -6.872 1.009
36 H4* U 4 H4* U 4 8.213 -7.984 -1.171
37 H3* U 4 H3* U 4 6.373 -5.729 -0.292
38 H2* U 4 H2* U 4 5.193 -5.924 -2.321
39 2HO* U 4 2HO U 4 7.652 -6.902 -3.212
40 H1* U 4 H1* U 4 5.417 -8.692 -2.632
41 H3 U 4 3H U 4 0.974 -7.933 -2.417
42 H5 U 4 5H U 4 2.315 -7.104 1.488
43 H6 U 4 6H U 4 4.590 -7.338 0.689
44 1H5* C 5 1H5* C 5 8.334 -4.980 -4.467
45 2H5* C 5 2H5* C 5 8.532 -3.218 -4.569
46 H4* C 5 H4* C 5 7.371 -4.254 -6.558
47 H3* C 5 H3* C 5 6.081 -2.112 -4.841
48 H2* C 5 H2* C 5 4.148 -2.173 -6.190
49 2HO* C 5 2HO C 5 4.308 -3.455 -8.260
50 H1* C 5 H1* C 5 4.110 -4.895 -6.727
51 1H4 C 5 1H4 C 5 -0.253 -3.750 -2.224
52 2H4 C 5 2H4 C 5 0.984 -3.869 -0.993
53 H5 C 5 5H C 5 3.345 -3.944 -1.505
54 H6 C 5 6H C 5 5.003 -3.998 -3.304
55 1H5* C 6 1H5* C 6 6.634 -0.236 -8.812
56 2H5* C 6 2H5* C 6 6.261 1.498 -8.762
57 H4* C 6 H4* C 6 4.441 -0.119 -9.663
58 H3* C 6 H3* C 6 4.073 2.091 -7.626
59 H2* C 6 H2* C 6 1.789 1.518 -7.351
60 2HO* C 6 2HO C 6 1.985 0.834 -9.909
61 H1* C 6 H1* C 6 2.055 -1.187 -7.310
62 1H4 C 6 1H4 C 6 2.296 0.971 -1.292
63 2H4 C 6 2H4 C 6 4.043 0.952 -1.385
64 H5 C 6 5H C 6 5.253 0.509 -3.423
65 H6 C 6 6H C 6 5.045 -0.011 -5.808
66 1H5* C 7 1H5* C 7 1.362 3.657 -10.980
67 2H5* C 7 2H5* C 7 1.839 5.359 -11.143
68 H4* C 7 H4* C 7 -0.546 5.234 -10.638
69 H3* C 7 H3* C 7 1.275 6.253 -8.426
70 H2* C 7 H2* C 7 -0.617 6.600 -7.063
71 2HO* C 7 2HO C 7 -2.793 6.318 -8.259
72 H1* C 7 H1* C 7 -2.125 4.414 -7.950
73 1H4 C 7 1H4 C 7 0.107 2.911 -2.182
74 2H4 C 7 2H4 C 7 1.651 2.477 -2.883
75 H5 C 7 5H C 7 2.266 3.054 -5.146
76 H6 C 7 6H C 7 1.437 3.878 -7.301
77 1H5* C 8 1H5* C 8 -1.750 9.398 -9.335
78 2H5* C 8 2H5* C 8 -0.992 10.997 -9.185
79 H4* C 8 H4* C 8 -3.000 10.813 -7.748
80 H3* C 8 H3* C 8 -0.278 11.060 -6.417
81 H2* C 8 H2* C 8 -1.352 11.093 -4.317
82 2HO* C 8 2HO C 8 -3.797 11.296 -4.370
83 H1* C 8 H1* C 8 -3.415 9.309 -4.931
84 1H4 C 8 1H4 C 8 0.748 6.126 -1.329
85 2H4 C 8 2H4 C 8 1.910 6.091 -2.636
86 H5 C 8 5H C 8 1.502 7.099 -4.786
87 H6 C 8 6H C 8 -0.041 8.477 -6.100
88 1H5* U 9 1H5* U 9 -3.301 13.587 -5.165
89 2H5* U 9 2H5* U 9 -2.885 15.255 -4.724
90 H4* U 9 H4* U 9 -4.185 14.126 -2.939
91 H3* U 9 H3* U 9 -1.291 14.886 -2.379
92 H2* U 9 H2* U 9 -1.579 14.120 -0.163
93 2HO* U 9 2HO U 9 -3.406 14.472 0.847
94 H1* U 9 H1* U 9 -3.329 12.004 -0.758
95 H3 U 9 3H U 9 0.212 10.025 1.229
96 H5 U 9 5H U 9 1.725 11.283 -2.497
97 H6 U 9 6H U 9 -0.380 12.428 -2.890
98 1H5* G 10 1H5* G 10 -3.297 18.077 0.116
99 2H5* G 10 2H5* G 10 -1.985 19.196 0.535
100 H4* G 10 H4* G 10 -2.737 17.483 2.326
101 H3* G 10 H3* G 10 0.080 18.155 1.477
102 H2* G 10 H2* G 10 1.006 16.444 2.820
103 2HO* G 10 2HO G 10 -1.494 15.891 4.043
104 H1* G 10 H1* G 10 -0.830 14.485 2.378
105 H8 G 10 8H G 10 -0.383 16.228 -0.899
106 H1 G 10 1H G 10 4.507 12.384 0.490
107 1H2 G 10 1H2 G 10 3.515 11.286 2.773
108 2H2 G 10 2H2 G 10 4.035 12.777 3.518
109 1H5* C 11 1H5* C 11 -0.021 18.370 5.962
110 2H5* C 11 2H5* C 11 0.298 20.072 6.359
111 H4* C 11 H4* C 11 1.548 18.486 7.828
112 H3* C 11 H3* C 11 2.527 20.798 6.603
113 H2* C 11 H2* C 11 4.054 19.921 5.098
114 2HO* C 11 2HO C 11 5.977 18.975 6.354
115 H1* C 11 H1* C 11 4.619 17.366 6.413
116 1H4 C 11 1H4 C 11 4.421 15.731 0.186
117 2H4 C 11 2H4 C 11 5.003 17.353 -0.114
118 H5 C 11 5H C 11 2.706 18.262 1.418
119 H6 C 11 6H C 11 2.394 18.772 3.787
120 1H5* A 12 1H5* A 12 4.548 17.774 8.593
121 2H5* A 12 2H5* A 12 4.883 18.249 10.270
122 H4* A 12 H4* A 12 7.285 17.588 9.893
123 H3* A 12 H3* A 12 6.631 17.530 7.188
124 H2* A 12 H2* A 12 5.681 15.475 6.765
125 2HO* A 12 2HO A 12 7.987 14.545 8.134
126 H1* A 12 H1* A 12 5.590 14.082 9.154
127 H8 A 12 8H A 12 3.641 15.519 6.650
128 1H6 A 12 1H6 A 12 -0.572 16.520 8.781
129 2H6 A 12 2H6 A 12 -1.127 16.320 10.428
130 H2 A 12 2H A 12 2.555 15.705 12.940
131 1H5* U 13 1H5* U 13 10.515 15.421 9.332
132 2H5* U 13 2H5* U 13 11.453 14.235 8.405
133 H4* U 13 H4* U 13 11.031 12.666 9.948
134 H3* U 13 H3* U 13 8.572 12.759 8.644
135 H2* U 13 H2* U 13 7.478 14.165 10.223
136 2HO* U 13 2HO U 13 7.085 12.120 11.984
137 H1* U 13 H1* U 13 8.944 12.810 12.493
138 H3 U 13 3H U 13 6.972 15.538 15.444
139 H5 U 13 5H U 13 7.364 17.997 12.040
140 H6 U 13 6H U 13 8.454 16.136 10.916
141 1H5* A 14 1H5* A 14 8.396 8.193 7.917
142 2H5* A 14 2H5* A 14 7.478 9.281 6.857
143 H4* A 14 H4* A 14 7.511 9.307 9.901
144 H3* A 14 H3* A 14 6.032 7.679 8.234
145 H2* A 14 H2* A 14 4.794 9.288 7.072
146 2HO* A 14 2HO A 14 2.937 9.938 8.625
147 H1* A 14 H1* A 14 4.537 11.221 9.321
148 H8 A 14 8H A 14 6.771 11.493 6.224
149 1H6 A 14 1H6 A 14 3.832 14.097 3.399
150 2H6 A 14 2H6 A 14 2.320 14.916 3.716
151 H2 A 14 2H A 14 0.802 13.316 7.623
152 1H5* A 15 1H5* A 15 2.617 7.886 11.411
153 2H5* A 15 2H5* A 15 1.982 6.231 11.376
154 H4* A 15 H4* A 15 0.283 7.881 10.654
155 H3* A 15 H3* A 15 1.325 5.851 8.647
156 H2* A 15 H2* A 15 -0.164 6.721 7.034
157 2HO* A 15 2HO A 15 -2.108 7.223 7.677
158 H1* A 15 H1* A 15 0.027 9.399 7.747
159 H8 A 15 8H A 15 3.328 7.484 7.494
160 1H6 A 15 1H6 A 15 3.343 8.979 1.515
161 2H6 A 15 2H6 A 15 4.254 8.225 2.807
162 H2 A 15 2H A 15 -0.580 10.268 3.264
163 1H5* G 16 1H5* G 16 -2.855 6.168 8.968
164 2H5* G 16 2H5* G 16 -3.785 4.656 8.985
165 H4* G 16 H4* G 16 -4.722 6.284 7.369
166 H3* G 16 H3* G 16 -3.492 3.715 6.320
167 H2* G 16 H2* G 16 -4.016 4.371 4.130
168 2HO* G 16 2HO G 16 -5.924 6.162 5.288
169 H1* G 16 H1* G 16 -3.863 7.179 4.530
170 H8 G 16 8H G 16 -0.852 4.987 5.398
171 H1 G 16 1H G 16 -0.983 6.891 -0.687
172 1H2 G 16 1H2 G 16 -3.024 7.707 -1.158
173 2H2 G 16 2H2 G 16 -4.032 8.323 0.132
174 1H5* G 17 1H5* G 17 -7.522 4.777 5.315
175 2H5* G 17 2H5* G 17 -8.717 3.497 5.026
176 H4* G 17 H4* G 17 -8.658 5.182 3.189
177 H3* G 17 H3* G 17 -7.940 2.282 2.690
178 H2* G 17 H2* G 17 -7.422 2.736 0.453
179 2HO* G 17 2HO G 17 -8.837 5.209 0.558
180 H1* G 17 H1* G 17 -6.661 5.458 0.746
181 H8 G 17 8H G 17 -4.875 2.800 2.810
182 H1 G 17 1H G 17 -2.206 3.884 -2.882
183 1H2 G 17 1H2 G 17 -3.528 5.177 -4.105
184 2H2 G 17 2H2 G 17 -5.063 5.774 -3.517
185 1H5* A 18 1H5* A 18 -9.118 3.258 -1.292
186 2H5* A 18 2H5* A 18 -10.671 2.396 -1.355
187 H4* A 18 H4* A 18 -9.609 1.262 -3.028
188 H3* A 18 H3* A 18 -9.306 -0.093 -0.463
189 H2* A 18 H2* A 18 -7.010 -0.384 -0.652
190 2HO* A 18 2HO A 18 -6.971 -1.952 -2.848
191 H1* A 18 H1* A 18 -7.182 -0.025 -3.659
192 H8 A 18 8H A 18 -5.306 0.995 -0.427
193 1H6 A 18 1H6 A 18 -0.161 0.610 -3.792
194 2H6 A 18 2H6 A 18 -0.808 0.842 -2.182
195 H2 A 18 2H A 18 -3.662 -0.161 -6.503
196 1H5* U 19 1H5* U 19 -8.559 -2.669 -3.446
197 2H5* U 19 2H5* U 19 -9.761 -2.849 -4.741
198 H4* U 19 H4* U 19 -8.373 -4.678 -5.146
199 H3* U 19 H3* U 19 -10.650 -5.497 -3.319
200 H2* U 19 H2* U 19 -9.752 -7.662 -3.113
201 2HO* U 19 2HO U 19 -8.211 -7.026 -5.438
202 H1* U 19 H1* U 19 -7.051 -6.999 -3.161
203 H3 U 19 3H U 19 -7.702 -8.845 0.911
204 H5 U 19 5H U 19 -9.696 -5.140 1.154
205 H6 U 19 6H U 19 -9.243 -4.816 -1.208
206 1H5* G 20 1H5* G 20 -9.517 -2.080 -7.618
207 2H5* G 20 2H5* G 20 -10.258 -3.479 -8.420
208 H4* G 20 H4* G 20 -8.093 -3.273 -9.377
209 H3* G 20 H3* G 20 -8.611 -5.521 -7.562
210 H2* G 20 H2* G 20 -6.580 -5.459 -6.488
211 2HO* G 20 2HO G 20 -6.190 -6.821 -8.496
212 H1* G 20 H1* G 20 -5.320 -3.620 -8.504
213 H8 G 20 8H G 20 -6.517 -2.754 -4.990
214 H1 G 20 1H G 20 -0.247 -3.842 -5.326
215 1H2 G 20 1H2 G 20 0.254 -4.721 -7.320
216 2H2 G 20 2H2 G 20 -0.862 -4.604 -8.661
217 1H5* A 21 1H5* A 21 -5.575 -6.449 -10.538
218 2H5* A 21 2H5* A 21 -5.796 -8.019 -11.333
219 H4* A 21 H4* A 21 -3.535 -8.039 -10.690
220 H3* A 21 H3* A 21 -5.197 -9.403 -8.530
221 H2* A 21 H2* A 21 -3.189 -9.845 -7.395
222 2HO* A 21 2HO A 21 -1.144 -9.759 -8.537
223 H1* A 21 H1* A 21 -1.782 -7.559 -8.347
224 H8 A 21 8H A 21 -5.041 -6.988 -6.464
225 1H6 A 21 1H6 A 21 -1.664 -6.948 -1.312
226 2H6 A 21 2H6 A 21 -3.251 -6.648 -1.988
227 H2 A 21 2H A 21 0.997 -8.174 -4.704
228 1H5* A 22 1H5* A 22 -1.973 -11.808 -10.584
229 2H5* A 22 2H5* A 22 -2.344 -13.543 -10.624
230 H4* A 22 H4* A 22 -0.026 -13.103 -9.850
231 H3* A 22 H3* A 22 -2.014 -14.335 -7.905
232 H2* A 22 H2* A 22 -0.323 -14.449 -6.280
233 2HO* A 22 2HO A 22 1.680 -14.948 -6.802
234 H1* A 22 H1* A 22 1.127 -12.167 -7.092
235 H8 A 22 8H A 22 -2.576 -11.664 -6.404
236 1H6 A 22 1H6 A 22 -0.996 -10.344 -0.672
237 2H6 A 22 2H6 A 22 -2.353 -11.028 -1.538
238 H2 A 22 2H A 22 2.606 -12.234 -2.707
239 1H5* C 23 1H5* C 23 1.782 -16.424 -8.805
240 2H5* C 23 2H5* C 23 1.704 -18.191 -8.668
241 H4* C 23 H4* C 23 3.672 -17.278 -7.491
242 H3* C 23 H3* C 23 1.482 -18.589 -5.841
243 H2* C 23 H2* C 23 2.798 -18.240 -3.897
244 2HO* C 23 2HO C 23 4.857 -18.681 -4.260
245 H1* C 23 H1* C 23 3.651 -15.700 -4.488
246 1H4 C 23 1H4 C 23 -1.566 -15.357 -0.788
247 2H4 C 23 2H4 C 23 -2.534 -15.150 -2.230
248 H5 C 23 5H C 23 -1.725 -16.161 -4.330
249 H6 C 23 6H C 23 0.286 -16.509 -5.676
250 1H5* C 24 1H5* C 24 4.856 -20.881 -4.702
251 2H5* C 24 2H5* C 24 4.405 -22.592 -4.561
252 H4* C 24 H4* C 24 5.117 -21.660 -2.380
253 H3* C 24 H3* C 24 2.227 -22.473 -2.781
254 H2* C 24 H2* C 24 1.744 -21.932 -0.552
255 2HO* C 24 2HO C 24 3.357 -22.810 0.631
256 H1* C 24 H1* C 24 3.319 -19.660 -0.408
257 1H4 C 24 1H4 C 24 -2.668 -17.731 -1.341
258 2H4 C 24 2H4 C 24 -2.461 -17.910 -3.070
259 H5 C 24 5H C 24 -0.563 -19.040 -4.054
260 H6 C 24 6H C 24 1.625 -20.049 -3.605
261 H3T C 24 H3T C 24 3.248 -24.309 -2.496
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