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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11083 |
1qwa   |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 2H5* G 1 1.288 -16.359 -14.484
2 2H5* G 1 1H5* G 1 1.384 -14.716 -15.150
3 H4* G 1 H4* G 1 -0.742 -15.205 -15.848
4 H3* G 1 H3* G 1 -0.951 -14.223 -12.996
5 H2* G 1 H2* G 1 -3.243 -14.774 -12.905
6 2HO* G 1 2HO* G 1 -3.042 -14.808 -15.740
7 H1* G 1 H1* G 1 -3.172 -17.138 -14.264
8 H8 G 1 H8 G 1 -0.263 -17.722 -12.219
9 H1 G 1 H1 G 1 -5.399 -17.164 -8.481
10 1H2 G 1 H21 G 1 -7.074 -16.263 -9.623
11 2H2 G 1 H22 G 1 -6.925 -15.801 -11.303
12 H5T G 1 H5T G 1 1.257 -15.577 -12.538
13 1H5* G 2 2H5* G 2 -4.648 -13.628 -14.555
14 2H5* G 2 1H5* G 2 -4.595 -11.944 -15.110
15 H4* G 2 H4* G 2 -6.764 -12.157 -14.230
16 H3* G 2 H3* G 2 -4.806 -10.890 -12.314
17 H2* G 2 H2* G 2 -6.308 -10.934 -10.527
18 2HO* G 2 2HO* G 2 -8.452 -11.299 -12.380
19 H1* G 2 H1* G 2 -7.809 -13.203 -11.195
20 H8 G 2 H8 G 2 -4.101 -13.927 -11.140
21 H1 G 2 H1 G 2 -6.705 -13.807 -5.324
22 1H2 G 2 H21 G 2 -8.768 -12.997 -5.433
23 2H2 G 2 H22 G 2 -9.498 -12.489 -6.939
24 1H5* A 3 2H5* A 3 -8.074 -9.178 -11.524
25 2H5* A 3 1H5* A 3 -8.228 -7.441 -11.818
26 H4* A 3 H4* A 3 -8.973 -7.867 -9.586
27 H3* A 3 H3* A 3 -6.306 -6.494 -9.958
28 H2* A 3 H2* A 3 -5.830 -6.677 -7.703
29 2HO* A 3 2HO* A 3 -8.495 -6.698 -6.831
30 H1* A 3 H1* A 3 -8.009 -8.573 -7.122
31 H8 A 3 H8 A 3 -4.576 -9.287 -8.678
32 1H6 A 3 H61 A 3 -2.779 -11.091 -3.077
33 2H6 A 3 H62 A 3 -2.312 -10.949 -4.756
34 H2 A 3 H2 A 3 -6.967 -9.498 -2.746
35 1H5* U 4 2H5* U 4 -9.952 -3.954 -7.492
36 2H5* U 4 1H5* U 4 -9.159 -2.382 -7.266
37 H4* U 4 H4* U 4 -10.294 -3.606 -5.227
38 H3* U 4 H3* U 4 -7.664 -2.104 -5.332
39 H2* U 4 H2* U 4 -7.183 -2.663 -3.102
40 2HO* U 4 2HO* U 4 -9.460 -3.818 -2.228
41 H1* U 4 H1* U 4 -8.341 -5.195 -3.016
42 H3 U 4 H3 U 4 -4.004 -5.928 -2.071
43 H5 U 4 H5 U 4 -3.991 -4.894 -6.200
44 H6 U 4 H6 U 4 -6.359 -4.381 -5.992
45 1H5* G 5 2H5* G 5 -10.944 -1.264 -1.593
46 2H5* G 5 1H5* G 5 -10.670 0.489 -1.548
47 H4* G 5 H4* G 5 -10.809 -0.589 0.723
48 H3* G 5 H3* G 5 -8.472 1.037 -0.253
49 H2* G 5 H2* G 5 -7.147 0.535 1.635
50 2HO* G 5 2HO* G 5 -8.234 -0.649 3.453
51 H1* G 5 H1* G 5 -7.738 -2.093 1.929
52 H8 G 5 H8 G 5 -7.605 -0.914 -1.709
53 H1 G 5 H1 G 5 -1.924 -2.557 0.668
54 1H2 G 5 H21 G 5 -2.099 -2.970 2.840
55 2H2 G 5 H22 G 5 -3.615 -2.839 3.702
56 1H5* C 6 2H5* C 6 -8.158 1.050 4.017
57 2H5* C 6 1H5* C 6 -8.238 2.765 4.436
58 H4* C 6 H4* C 6 -6.189 1.457 5.236
59 H3* C 6 H3* C 6 -6.267 4.130 3.825
60 H2* C 6 H2* C 6 -3.989 4.079 3.448
61 2HO* C 6 2HO* C 6 -3.844 4.172 5.874
62 H1* C 6 H1* C 6 -3.643 1.267 4.263
63 1H4 C 6 H41 C 6 -0.178 1.945 -1.044
64 2H4 C 6 H42 C 6 -1.579 2.510 -1.926
65 H5 C 6 H5 C 6 -3.742 2.828 -0.910
66 H6 C 6 H6 C 6 -5.030 2.674 1.172
67 1H5* C 7 2H5* C 7 -4.059 4.960 8.176
68 2H5* C 7 1H5* C 7 -3.880 6.723 8.072
69 H4* C 7 H4* C 7 -1.744 5.161 8.195
70 H3* C 7 H3* C 7 -2.176 7.598 6.427
71 H2* C 7 H2* C 7 0.007 7.311 5.567
72 2HO* C 7 2HO* C 7 1.397 6.911 7.140
73 H1* C 7 H1* C 7 -0.005 4.538 5.467
74 1H4 C 7 H41 C 7 -1.084 6.574 -0.449
75 2H4 C 7 H42 C 7 -2.702 7.083 -0.023
76 H5 C 7 H5 C 7 -3.579 6.958 2.220
77 H6 C 7 H6 C 7 -3.083 6.323 4.539
78 1H5* U 8 2H5* U 8 1.668 8.199 9.276
79 2H5* U 8 1H5* U 8 1.881 9.960 9.250
80 H4* U 8 H4* U 8 3.854 8.361 8.525
81 H3* U 8 H3* U 8 2.956 10.974 7.263
82 H2* U 8 H2* U 8 4.627 10.755 5.597
83 2HO* U 8 2HO* U 8 5.976 8.554 6.231
84 H1* U 8 H1* U 8 4.401 8.055 5.152
85 H3 U 8 H3 U 8 2.905 10.179 1.426
86 H5 U 8 H5 U 8 -0.288 10.478 4.158
87 H6 U 8 H6 U 8 1.166 9.543 5.860
88 1H5* C 9 2H5* C 9 7.475 11.109 6.616
89 2H5* C 9 1H5* C 9 7.715 12.787 7.146
90 H4* C 9 H4* C 9 8.207 12.108 4.645
91 H3* C 9 H3* C 9 7.207 14.563 5.910
92 H2* C 9 H2* C 9 5.664 15.168 4.322
93 2HO* C 9 2HO* C 9 6.560 15.957 2.578
94 H1* C 9 H1* C 9 6.108 12.996 2.381
95 1H4 C 9 H41 C 9 -0.178 13.943 2.422
96 2H4 C 9 H42 C 9 -0.262 13.552 4.126
97 H5 C 9 H5 C 9 1.682 13.076 5.469
98 H6 C 9 H6 C 9 4.121 12.879 5.469
99 1H5* C 10 2H5* C 10 7.478 17.664 3.830
100 2H5* C 10 1H5* C 10 8.279 16.222 3.172
101 H4* C 10 H4* C 10 9.495 19.003 3.457
102 H3* C 10 H3* C 10 7.825 17.980 1.408
103 H2* C 10 H2* C 10 9.296 16.459 0.428
104 2HO* C 10 2HO* C 10 10.340 17.426 -1.239
105 H1* C 10 H1* C 10 11.794 17.937 1.153
106 1H4 C 10 H41 C 10 13.901 12.072 -0.045
107 2H4 C 10 H42 C 10 12.672 11.362 0.978
108 H5 C 10 H5 C 10 10.976 12.652 2.095
109 H6 C 10 H6 C 10 10.107 14.925 2.496
110 1H5* C 11 2H5* C 11 8.170 18.587 -0.856
111 2H5* C 11 1H5* C 11 8.224 20.152 -1.691
112 H4* C 11 H4* C 11 7.068 18.554 -3.102
113 H3* C 11 H3* C 11 6.019 21.016 -2.516
114 H2* C 11 H2* C 11 4.628 20.284 -0.696
115 2HO* C 11 2HO* C 11 3.346 20.495 -3.143
116 H1* C 11 H1* C 11 3.775 17.875 -2.314
117 1H4 C 11 H41 C 11 1.194 16.558 3.341
118 2H4 C 11 H42 C 11 2.767 16.613 4.104
119 H5 C 11 H5 C 11 4.779 17.240 2.936
120 H6 C 11 H6 C 11 5.717 17.946 0.784
121 1H5* G 12 2H5* G 12 5.375 17.368 -5.760
122 2H5* G 12 1H5* G 12 6.044 16.935 -4.174
123 H4* G 12 H4* G 12 7.314 16.454 -6.895
124 H3* G 12 H3* G 12 5.854 14.755 -4.884
125 H2* G 12 H2* G 12 7.439 13.051 -4.914
126 2HO* G 12 2HO* G 12 8.421 14.065 -7.405
127 H1* G 12 H1* G 12 9.761 14.541 -5.546
128 H8 G 12 H8 G 12 11.137 14.184 -3.424
129 H1 G 12 H1 G 12 6.035 13.918 0.386
130 1H2 G 12 H21 G 12 4.197 14.334 -0.766
131 2H2 G 12 H22 G 12 4.216 14.683 -2.480
132 1H5* A 13 2H5* A 13 7.400 11.974 -7.696
133 2H5* A 13 1H5* A 13 6.183 10.692 -7.862
134 H4* A 13 H4* A 13 8.539 10.252 -6.664
135 H3* A 13 H3* A 13 5.780 9.155 -6.168
136 H2* A 13 H2* A 13 6.441 8.084 -4.154
137 2HO* A 13 2HO* A 13 9.164 8.775 -4.610
138 H1* A 13 H1* A 13 7.915 10.074 -3.087
139 H8 A 13 H8 A 13 4.860 11.047 -5.235
140 1H6 A 13 H61 A 13 1.629 10.925 0.014
141 2H6 A 13 H62 A 13 1.563 11.269 -1.700
142 H2 A 13 H2 A 13 5.827 9.627 0.929
143 1H5* G 14 2H5* G 14 8.873 6.596 -5.451
144 2H5* G 14 1H5* G 14 8.691 4.840 -5.615
145 H4* G 14 H4* G 14 9.240 5.924 -3.273
146 H3* G 14 H3* G 14 8.112 3.444 -4.038
147 H2* G 14 H2* G 14 5.891 3.892 -3.437
148 2HO* G 14 2HO* G 14 6.280 2.377 -1.909
149 H1* G 14 H1* G 14 6.679 5.695 -1.165
150 H8 G 14 H8 G 14 4.756 6.454 -4.414
151 H1 G 14 H1 G 14 1.120 6.048 0.801
152 1H2 G 14 H21 G 14 2.364 5.410 2.528
153 2H2 G 14 H22 G 14 4.074 5.085 2.386
154 1H5* U 15 2H5* U 15 10.533 4.151 0.132
155 2H5* U 15 1H5* U 15 11.767 3.007 -0.437
156 H4* U 15 H4* U 15 12.196 2.913 1.821
157 H3* U 15 H3* U 15 9.949 0.951 1.319
158 H2* U 15 H2* U 15 10.108 0.352 3.630
159 2HO* U 15 2HO* U 15 12.630 1.139 3.334
160 H1* U 15 H1* U 15 10.142 2.911 4.532
161 H3 U 15 H3 U 15 5.910 1.779 5.492
162 H5 U 15 H5 U 15 5.904 2.077 1.288
163 H6 U 15 H6 U 15 8.304 2.398 1.369
164 1H5* G 16 2H5* G 16 9.868 -2.585 -0.201
165 2H5* G 16 1H5* G 16 8.766 -1.524 -1.100
166 H4* G 16 H4* G 16 8.803 -2.041 1.914
167 H3* G 16 H3* G 16 6.944 -2.781 -0.447
168 H2* G 16 H2* G 16 5.053 -2.496 0.913
169 2HO* G 16 2HO* G 16 5.867 -2.103 3.383
170 H1* G 16 H1* G 16 5.979 -0.362 2.509
171 H8 G 16 H8 G 16 6.472 0.121 -1.257
172 H1 G 16 H1 G 16 0.603 1.587 0.799
173 1H2 G 16 H21 G 16 0.359 0.955 2.909
174 2H2 G 16 H22 G 16 1.641 0.179 3.812
175 1H5* C 17 2H5* C 17 6.180 -4.314 3.649
176 2H5* C 17 1H5* C 17 6.230 -6.083 3.520
177 H4* C 17 H4* C 17 4.554 -5.485 5.157
178 H3* C 17 H3* C 17 3.546 -6.519 2.490
179 H2* C 17 H2* C 17 1.311 -6.287 3.191
180 2HO* C 17 2HO* C 17 1.363 -5.576 5.732
181 H1* C 17 H1* C 17 1.598 -3.926 4.684
182 1H4 C 17 H41 C 17 -0.994 -2.343 -0.905
183 2H4 C 17 H42 C 17 0.547 -2.531 -1.711
184 H5 C 17 H5 C 17 2.526 -3.316 -0.597
185 H6 C 17 H6 C 17 3.467 -4.094 1.530
186 1H5* A 18 2H5* A 18 1.540 -9.084 6.281
187 2H5* A 18 1H5* A 18 1.266 -10.567 5.345
188 H4* A 18 H4* A 18 -0.734 -9.456 6.621
189 H3* A 18 H3* A 18 -0.662 -10.674 3.869
190 H2* A 18 H2* A 18 -2.853 -9.952 3.367
191 2HO* A 18 2HO* A 18 -3.959 -8.845 5.372
192 H1* A 18 H1* A 18 -2.774 -7.465 4.456
193 H8 A 18 H8 A 18 0.571 -8.338 2.925
194 1H6 A 18 H61 A 18 -1.723 -6.432 -2.473
195 2H6 A 18 H62 A 18 -0.276 -6.942 -1.634
196 H2 A 18 H2 A 18 -5.085 -6.581 0.505
197 1H5* U 19 2H5* U 19 -4.140 -12.939 6.006
198 2H5* U 19 1H5* U 19 -4.398 -14.384 5.007
199 H4* U 19 H4* U 19 -6.243 -12.503 5.097
200 H3* U 19 H3* U 19 -5.221 -14.059 2.711
201 H2* U 19 H2* U 19 -6.589 -12.830 1.240
202 2HO* U 19 2HO* U 19 -8.202 -12.733 3.395
203 H1* U 19 H1* U 19 -6.289 -10.323 2.416
204 H3 U 19 H3 U 19 -4.285 -10.434 -1.717
205 H5 U 19 H5 U 19 -1.439 -12.088 0.987
206 H6 U 19 H6 U 19 -3.167 -12.056 2.689
207 1H5* C 20 2H5* C 20 -9.821 -14.934 2.880
208 2H5* C 20 1H5* C 20 -10.016 -16.444 1.967
209 H4* C 20 H4* C 20 -11.136 -14.213 1.107
210 H3* C 20 H3* C 20 -9.717 -16.373 -0.475
211 H2* C 20 H2* C 20 -10.003 -15.148 -2.476
212 2HO* C 20 2HO* C 20 -11.424 -13.005 -1.800
213 H1* C 20 H1* C 20 -9.511 -12.632 -1.490
214 1H4 C 20 H41 C 20 -4.197 -14.978 -4.166
215 2H4 C 20 H42 C 20 -3.662 -15.502 -2.585
216 H5 C 20 H5 C 20 -5.043 -15.363 -0.612
217 H6 C 20 H6 C 20 -7.231 -14.692 0.267
218 1H5* C 21 2H5* C 21 -12.178 -14.701 -3.264
219 2H5* C 21 1H5* C 21 -13.487 -15.884 -3.454
220 H4* C 21 H4* C 21 -12.740 -15.241 -5.663
221 H3* C 21 H3* C 21 -11.818 -17.967 -4.718
222 H2* C 21 H2* C 21 -10.697 -18.318 -6.706
223 2HO* C 21 2HO* C 21 -11.754 -17.952 -8.489
224 H1* C 21 H1* C 21 -10.257 -15.534 -7.333
225 1H4 C 21 H41 C 21 -4.473 -18.054 -6.586
226 2H4 C 21 H42 C 21 -4.809 -18.445 -4.914
227 H5 C 21 H5 C 21 -6.948 -18.058 -3.871
228 H6 C 21 H6 C 21 -9.226 -17.210 -4.205
229 H3T C 21 H3T C 21 -13.609 -17.460 -6.822
Start of MODEL 2
1 1H5* G 1 2H5* G 1 1.706 -16.446 -13.986
2 2H5* G 1 1H5* G 1 1.611 -14.847 -14.754
3 H4* G 1 H4* G 1 -0.490 -15.573 -15.306
4 H3* G 1 H3* G 1 -0.660 -14.454 -12.501
5 H2* G 1 H2* G 1 -2.885 -15.211 -12.274
6 2HO* G 1 2HO* G 1 -2.893 -15.758 -15.078
7 H1* G 1 H1* G 1 -2.643 -17.630 -13.504
8 H8 G 1 H8 G 1 0.412 -17.720 -11.541
9 H1 G 1 H1 G 1 -4.654 -17.715 -7.669
10 1H2 G 1 H21 G 1 -6.471 -17.122 -8.793
11 2H2 G 1 H22 G 1 -6.435 -16.725 -10.497
12 H5T G 1 H5T G 1 2.298 -15.095 -12.416
13 1H5* G 2 2H5* G 2 -4.482 -14.358 -13.950
14 2H5* G 2 1H5* G 2 -4.652 -12.695 -14.547
15 H4* G 2 H4* G 2 -6.738 -13.178 -13.545
16 H3* G 2 H3* G 2 -4.878 -11.513 -11.855
17 H2* G 2 H2* G 2 -6.208 -11.664 -9.951
18 2HO* G 2 2HO* G 2 -8.552 -12.456 -10.414
19 H1* G 2 H1* G 2 -7.466 -14.136 -10.394
20 H8 G 2 H8 G 2 -3.685 -14.319 -10.520
21 H1 G 2 H1 G 2 -6.000 -14.399 -4.585
22 1H2 G 2 H21 G 2 -8.163 -13.909 -4.607
23 2H2 G 2 H22 G 2 -9.034 -13.563 -6.084
24 1H5* A 3 2H5* A 3 -8.439 -10.136 -11.052
25 2H5* A 3 1H5* A 3 -8.754 -8.428 -11.385
26 H4* A 3 H4* A 3 -9.382 -8.925 -9.107
27 H3* A 3 H3* A 3 -6.981 -7.168 -9.644
28 H2* A 3 H2* A 3 -6.395 -7.182 -7.406
29 2HO* A 3 2HO* A 3 -8.103 -6.022 -6.645
30 H1* A 3 H1* A 3 -8.197 -9.386 -6.664
31 H8 A 3 H8 A 3 -4.800 -9.646 -8.412
32 1H6 A 3 H61 A 3 -2.413 -10.921 -2.890
33 2H6 A 3 H62 A 3 -2.080 -10.792 -4.601
34 H2 A 3 H2 A 3 -6.754 -9.906 -2.324
35 1H5* U 4 2H5* U 4 -10.171 -6.203 -6.842
36 2H5* U 4 1H5* U 4 -10.814 -4.560 -7.041
37 H4* U 4 H4* U 4 -10.908 -4.998 -4.710
38 H3* U 4 H3* U 4 -8.558 -3.272 -5.544
39 H2* U 4 H2* U 4 -7.767 -3.192 -3.333
40 2HO* U 4 2HO* U 4 -9.930 -4.373 -2.068
41 H1* U 4 H1* U 4 -8.528 -5.745 -2.502
42 H3 U 4 H3 U 4 -4.113 -6.119 -2.015
43 H5 U 4 H5 U 4 -4.537 -5.254 -6.160
44 H6 U 4 H6 U 4 -6.928 -5.013 -5.778
45 1H5* G 5 2H5* G 5 -11.734 -1.722 -1.915
46 2H5* G 5 1H5* G 5 -11.391 0.018 -2.015
47 H4* G 5 H4* G 5 -11.442 -1.018 0.335
48 H3* G 5 H3* G 5 -9.290 0.738 -0.826
49 H2* G 5 H2* G 5 -7.857 0.435 1.022
50 2HO* G 5 2HO* G 5 -8.765 -0.695 2.957
51 H1* G 5 H1* G 5 -8.263 -2.213 1.498
52 H8 G 5 H8 G 5 -8.248 -1.238 -2.201
53 H1 G 5 H1 G 5 -2.447 -2.373 0.182
54 1H2 G 5 H21 G 5 -2.570 -2.668 2.376
55 2H2 G 5 H22 G 5 -4.082 -2.584 3.251
56 1H5* C 6 2H5* C 6 -8.911 1.070 3.440
57 2H5* C 6 1H5* C 6 -9.039 2.806 3.748
58 H4* C 6 H4* C 6 -6.911 1.562 4.532
59 H3* C 6 H3* C 6 -7.123 4.220 3.088
60 H2* C 6 H2* C 6 -4.837 4.268 2.748
61 2HO* C 6 2HO* C 6 -3.800 4.395 4.579
62 H1* C 6 H1* C 6 -4.397 1.458 3.490
63 1H4 C 6 H41 C 6 -1.098 2.361 -1.894
64 2H4 C 6 H42 C 6 -2.567 2.755 -2.758
65 H5 C 6 H5 C 6 -4.725 2.898 -1.696
66 H6 C 6 H6 C 6 -5.943 2.692 0.424
67 1H5* C 7 2H5* C 7 -5.091 5.129 7.348
68 2H5* C 7 1H5* C 7 -5.008 6.901 7.396
69 H4* C 7 H4* C 7 -2.789 5.451 7.322
70 H3* C 7 H3* C 7 -3.400 8.003 5.779
71 H2* C 7 H2* C 7 -1.249 7.895 4.836
72 2HO* C 7 2HO* C 7 -0.483 5.902 6.722
73 H1* C 7 H1* C 7 -1.051 5.100 4.688
74 1H4 C 7 H41 C 7 -1.834 7.263 -1.233
75 2H4 C 7 H42 C 7 -3.487 7.724 -0.894
76 H5 C 7 H5 C 7 -4.497 7.509 1.289
77 H6 C 7 H6 C 7 -4.133 6.809 3.611
78 1H5* U 8 2H5* U 8 0.431 7.649 8.452
79 2H5* U 8 1H5* U 8 1.107 9.264 8.728
80 H4* U 8 H4* U 8 2.607 7.340 7.718
81 H3* U 8 H3* U 8 2.482 10.267 6.923
82 H2* U 8 H2* U 8 4.106 9.886 5.239
83 2HO* U 8 2HO* U 8 5.385 8.499 6.739
84 H1* U 8 H1* U 8 3.171 7.471 4.331
85 H3 U 8 H3 U 8 2.562 10.709 1.168
86 H5 U 8 H5 U 8 -0.702 11.138 3.793
87 H6 U 8 H6 U 8 0.353 9.516 5.263
88 1H5* C 9 2H5* C 9 7.045 9.728 7.004
89 2H5* C 9 1H5* C 9 7.445 11.301 7.724
90 H4* C 9 H4* C 9 8.229 10.731 5.271
91 H3* C 9 H3* C 9 7.419 13.223 6.600
92 H2* C 9 H2* C 9 6.288 14.200 4.858
93 2HO* C 9 2HO* C 9 7.417 14.632 2.993
94 H1* C 9 H1* C 9 6.630 12.121 2.811
95 1H4 C 9 H41 C 9 0.637 14.149 2.203
96 2H4 C 9 H42 C 9 0.269 13.673 3.845
97 H5 C 9 H5 C 9 1.913 12.776 5.360
98 H6 C 9 H6 C 9 4.258 12.133 5.627
99 1H5* C 10 2H5* C 10 8.360 16.087 5.503
100 2H5* C 10 1H5* C 10 9.066 14.796 4.509
101 H4* C 10 H4* C 10 10.288 17.526 5.098
102 H3* C 10 H3* C 10 8.421 16.879 3.124
103 H2* C 10 H2* C 10 9.693 15.216 2.014
104 2HO* C 10 2HO* C 10 9.526 16.566 0.325
105 H1* C 10 H1* C 10 12.269 16.735 2.351
106 1H4 C 10 H41 C 10 14.425 11.021 0.625
107 2H4 C 10 H42 C 10 13.366 10.218 1.763
108 H5 C 10 H5 C 10 11.782 11.391 3.147
109 H6 C 10 H6 C 10 10.863 13.594 3.734
110 1H5* C 11 2H5* C 11 10.006 18.338 0.725
111 2H5* C 11 1H5* C 11 10.226 19.975 0.074
112 H4* C 11 H4* C 11 9.680 18.293 -1.687
113 H3* C 11 H3* C 11 8.692 20.861 -1.534
114 H2* C 11 H2* C 11 6.615 20.330 -0.489
115 2HO* C 11 2HO* C 11 6.502 20.497 -3.234
116 H1* C 11 H1* C 11 6.274 17.869 -2.200
117 1H4 C 11 H41 C 11 1.688 17.130 2.137
118 2H4 C 11 H42 C 11 2.846 17.268 3.441
119 H5 C 11 H5 C 11 5.180 17.746 3.087
120 H6 C 11 H6 C 11 6.909 18.195 1.409
121 1H5* G 12 2H5* G 12 8.332 17.574 -4.820
122 2H5* G 12 1H5* G 12 8.824 16.977 -3.223
123 H4* G 12 H4* G 12 9.981 16.113 -5.903
124 H3* G 12 H3* G 12 7.882 15.009 -4.063
125 H2* G 12 H2* G 12 8.796 12.875 -3.972
126 2HO* G 12 2HO* G 12 10.152 13.482 -6.422
127 H1* G 12 H1* G 12 11.528 13.467 -4.426
128 H8 G 12 H8 G 12 12.693 13.181 -2.093
129 H1 G 12 H1 G 12 7.120 13.333 0.993
130 1H2 G 12 H21 G 12 5.503 13.954 -0.383
131 2H2 G 12 H22 G 12 5.791 14.334 -2.067
132 1H5* A 13 2H5* A 13 7.354 12.867 -7.746
133 2H5* A 13 1H5* A 13 5.853 11.919 -7.802
134 H4* A 13 H4* A 13 8.156 10.887 -6.888
135 H3* A 13 H3* A 13 5.277 10.396 -6.151
136 H2* A 13 H2* A 13 5.844 9.137 -4.238
137 2HO* A 13 2HO* A 13 8.356 8.917 -5.535
138 H1* A 13 H1* A 13 7.889 10.636 -3.289
139 H8 A 13 H8 A 13 5.587 13.217 -4.576
140 1H6 A 13 H61 A 13 1.928 12.273 0.287
141 2H6 A 13 H62 A 13 2.267 13.326 -1.069
142 H2 A 13 H2 A 13 4.925 8.929 0.126
143 1H5* G 14 2H5* G 14 7.734 7.337 -6.258
144 2H5* G 14 1H5* G 14 7.500 5.587 -6.434
145 H4* G 14 H4* G 14 8.113 6.638 -4.088
146 H3* G 14 H3* G 14 6.919 4.201 -4.853
147 H2* G 14 H2* G 14 4.712 4.641 -4.213
148 2HO* G 14 2HO* G 14 6.213 3.908 -1.985
149 H1* G 14 H1* G 14 5.439 6.526 -2.001
150 H8 G 14 H8 G 14 3.798 7.352 -5.370
151 H1 G 14 H1 G 14 -0.271 6.922 -0.484
152 1H2 G 14 H21 G 14 0.787 6.197 1.311
153 2H2 G 14 H22 G 14 2.493 5.816 1.315
154 1H5* U 15 2H5* U 15 9.350 5.111 -0.977
155 2H5* U 15 1H5* U 15 10.897 4.441 -1.537
156 H4* U 15 H4* U 15 11.397 4.140 0.639
157 H3* U 15 H3* U 15 9.226 2.064 0.302
158 H2* U 15 H2* U 15 9.533 1.545 2.615
159 2HO* U 15 2HO* U 15 11.849 1.751 2.606
160 H1* U 15 H1* U 15 9.530 4.138 3.441
161 H3 U 15 H3 U 15 5.434 2.887 4.762
162 H5 U 15 H5 U 15 5.108 2.997 0.561
163 H6 U 15 H6 U 15 7.491 3.412 0.450
164 1H5* G 16 2H5* G 16 9.249 -1.561 -0.958
165 2H5* G 16 1H5* G 16 8.031 -0.639 -1.860
166 H4* G 16 H4* G 16 8.294 -0.878 1.181
167 H3* G 16 H3* G 16 6.378 -1.997 -0.973
168 H2* G 16 H2* G 16 4.532 -1.693 0.443
169 2HO* G 16 2HO* G 16 5.338 -1.032 2.822
170 H1* G 16 H1* G 16 5.378 0.635 1.798
171 H8 G 16 H8 G 16 5.659 0.890 -1.993
172 H1 G 16 H1 G 16 -0.243 1.952 0.198
173 1H2 G 16 H21 G 16 -0.363 1.430 2.346
174 2H2 G 16 H22 G 16 1.010 0.823 3.246
175 1H5* C 17 2H5* C 17 5.775 -3.140 3.213
176 2H5* C 17 1H5* C 17 6.035 -4.895 3.282
177 H4* C 17 H4* C 17 4.288 -4.386 4.842
178 H3* C 17 H3* C 17 3.371 -5.649 2.241
179 H2* C 17 H2* C 17 1.130 -5.590 2.961
180 2HO* C 17 2HO* C 17 2.290 -5.341 5.549
181 H1* C 17 H1* C 17 1.210 -3.130 4.314
182 1H4 C 17 H41 C 17 -1.573 -2.122 -1.325
183 2H4 C 17 H42 C 17 -0.027 -2.211 -2.137
184 H5 C 17 H5 C 17 2.022 -2.743 -1.008
185 H6 C 17 H6 C 17 3.053 -3.307 1.145
186 1H5* A 18 2H5* A 18 1.743 -7.380 5.916
187 2H5* A 18 1H5* A 18 1.959 -9.142 5.918
188 H4* A 18 H4* A 18 -0.266 -8.610 6.740
189 H3* A 18 H3* A 18 0.015 -9.961 4.062
190 H2* A 18 H2* A 18 -2.300 -9.814 3.615
191 2HO* A 18 2HO* A 18 -2.702 -10.410 5.983
192 H1* A 18 H1* A 18 -2.777 -7.305 4.518
193 H8 A 18 H8 A 18 0.652 -7.741 2.895
194 1H6 A 18 H61 A 18 -2.085 -6.351 -2.450
195 2H6 A 18 H62 A 18 -0.553 -6.651 -1.660
196 H2 A 18 H2 A 18 -5.274 -6.775 0.692
197 1H5* U 19 2H5* U 19 -2.974 -12.590 6.448
198 2H5* U 19 1H5* U 19 -3.072 -14.112 5.539
199 H4* U 19 H4* U 19 -5.146 -12.472 5.624
200 H3* U 19 H3* U 19 -4.052 -14.059 3.284
201 H2* U 19 H2* U 19 -5.671 -13.136 1.842
202 2HO* U 19 2HO* U 19 -7.082 -12.905 4.207
203 H1* U 19 H1* U 19 -5.645 -10.533 2.842
204 H3 U 19 H3 U 19 -3.940 -10.542 -1.407
205 H5 U 19 H5 U 19 -0.734 -11.808 1.094
206 H6 U 19 H6 U 19 -2.318 -11.906 2.929
207 1H5* C 20 2H5* C 20 -8.451 -15.594 3.839
208 2H5* C 20 1H5* C 20 -8.476 -17.161 3.005
209 H4* C 20 H4* C 20 -9.954 -15.157 2.123
210 H3* C 20 H3* C 20 -8.330 -17.176 0.550
211 H2* C 20 H2* C 20 -8.897 -16.107 -1.482
212 2HO* C 20 2HO* C 20 -10.557 -14.357 -1.387
213 H1* C 20 H1* C 20 -8.723 -13.499 -0.635
214 1H4 C 20 H41 C 20 -3.282 -15.160 -3.546
215 2H4 C 20 H42 C 20 -2.590 -15.549 -1.986
216 H5 C 20 H5 C 20 -3.864 -15.537 0.060
217 H6 C 20 H6 C 20 -6.074 -15.152 1.051
218 1H5* C 21 2H5* C 21 -11.181 -16.335 -2.001
219 2H5* C 21 1H5* C 21 -12.276 -17.727 -2.119
220 H4* C 21 H4* C 21 -11.718 -17.007 -4.367
221 H3* C 21 H3* C 21 -10.353 -19.539 -3.417
222 H2* C 21 H2* C 21 -9.254 -19.752 -5.436
223 2HO* C 21 2HO* C 21 -10.380 -18.120 -7.165
224 H1* C 21 H1* C 21 -9.267 -16.948 -6.120
225 1H4 C 21 H41 C 21 -3.143 -18.535 -5.510
226 2H4 C 21 H42 C 21 -3.363 -18.903 -3.815
227 H5 C 21 H5 C 21 -5.502 -18.809 -2.710
228 H6 C 21 H6 C 21 -7.892 -18.337 -2.991
229 H3T C 21 H3T C 21 -12.060 -19.877 -5.409
Start of MODEL 3
1 1H5* G 1 2H5* G 1 1.930 -15.931 -14.103
2 2H5* G 1 1H5* G 1 1.723 -14.358 -14.901
3 H4* G 1 H4* G 1 -0.329 -15.232 -15.417
4 H3* G 1 H3* G 1 -0.549 -14.064 -12.636
5 H2* G 1 H2* G 1 -2.712 -14.963 -12.363
6 2HO* G 1 2HO* G 1 -3.086 -16.024 -14.873
7 H1* G 1 H1* G 1 -2.331 -17.385 -13.565
8 H8 G 1 H8 G 1 0.728 -17.297 -11.634
9 H1 G 1 H1 G 1 -4.291 -17.457 -7.704
10 1H2 G 1 H21 G 1 -6.144 -16.958 -8.815
11 2H2 G 1 H22 G 1 -6.144 -16.583 -10.523
12 H5T G 1 H5T G 1 1.907 -14.988 -12.236
13 1H5* G 2 2H5* G 2 -4.381 -14.219 -13.997
14 2H5* G 2 1H5* G 2 -4.648 -12.593 -14.656
15 H4* G 2 H4* G 2 -6.690 -13.085 -13.610
16 H3* G 2 H3* G 2 -4.853 -11.396 -11.916
17 H2* G 2 H2* G 2 -6.189 -11.580 -10.015
18 2HO* G 2 2HO* G 2 -8.513 -12.513 -10.612
19 H1* G 2 H1* G 2 -7.370 -14.083 -10.463
20 H8 G 2 H8 G 2 -3.576 -14.119 -10.611
21 H1 G 2 H1 G 2 -5.883 -14.392 -4.677
22 1H2 G 2 H21 G 2 -8.069 -13.998 -4.695
23 2H2 G 2 H22 G 2 -8.951 -13.669 -6.168
24 1H5* A 3 2H5* A 3 -8.180 -10.146 -10.996
25 2H5* A 3 1H5* A 3 -8.709 -8.507 -11.400
26 H4* A 3 H4* A 3 -9.151 -8.738 -9.101
27 H3* A 3 H3* A 3 -6.649 -7.192 -9.790
28 H2* A 3 H2* A 3 -5.980 -7.174 -7.576
29 2HO* A 3 2HO* A 3 -8.513 -6.291 -7.345
30 H1* A 3 H1* A 3 -7.968 -9.173 -6.692
31 H8 A 3 H8 A 3 -4.542 -9.643 -8.398
32 1H6 A 3 H61 A 3 -2.389 -11.166 -2.846
33 2H6 A 3 H62 A 3 -1.999 -11.009 -4.543
34 H2 A 3 H2 A 3 -6.692 -9.964 -2.378
35 1H5* U 4 2H5* U 4 -10.397 -4.888 -7.368
36 2H5* U 4 1H5* U 4 -9.820 -3.226 -7.136
37 H4* U 4 H4* U 4 -10.784 -4.591 -5.099
38 H3* U 4 H3* U 4 -8.380 -2.753 -5.210
39 H2* U 4 H2* U 4 -7.811 -3.248 -2.988
40 2HO* U 4 2HO* U 4 -9.793 -4.688 -1.990
41 H1* U 4 H1* U 4 -8.604 -5.912 -2.900
42 H3 U 4 H3 U 4 -4.181 -5.961 -2.016
43 H5 U 4 H5 U 4 -4.399 -5.094 -6.178
44 H6 U 4 H6 U 4 -6.811 -4.903 -5.925
45 1H5* G 5 2H5* G 5 -11.417 -2.615 -1.289
46 2H5* G 5 1H5* G 5 -11.706 -0.870 -1.451
47 H4* G 5 H4* G 5 -11.488 -1.461 0.913
48 H3* G 5 H3* G 5 -9.407 0.261 -0.417
49 H2* G 5 H2* G 5 -7.991 0.254 1.478
50 2HO* G 5 2HO* G 5 -10.194 -0.880 2.921
51 H1* G 5 H1* G 5 -8.184 -2.350 2.171
52 H8 G 5 H8 G 5 -8.377 -1.583 -1.591
53 H1 G 5 H1 G 5 -2.460 -2.515 0.581
54 1H2 G 5 H21 G 5 -2.485 -2.727 2.788
55 2H2 G 5 H22 G 5 -3.961 -2.638 3.724
56 1H5* C 6 2H5* C 6 -9.147 1.053 3.631
57 2H5* C 6 1H5* C 6 -9.254 2.804 3.857
58 H4* C 6 H4* C 6 -7.143 1.579 4.701
59 H3* C 6 H3* C 6 -7.307 4.154 3.104
60 H2* C 6 H2* C 6 -5.010 4.166 2.834
61 2HO* C 6 2HO* C 6 -3.764 4.046 4.562
62 H1* C 6 H1* C 6 -4.630 1.382 3.677
63 1H4 C 6 H41 C 6 -1.273 2.099 -1.706
64 2H4 C 6 H42 C 6 -2.739 2.433 -2.601
65 H5 C 6 H5 C 6 -4.911 2.593 -1.569
66 H6 C 6 H6 C 6 -6.149 2.464 0.546
67 1H5* C 7 2H5* C 7 -5.235 5.178 7.190
68 2H5* C 7 1H5* C 7 -5.136 6.949 7.249
69 H4* C 7 H4* C 7 -2.934 5.487 7.069
70 H3* C 7 H3* C 7 -3.586 8.044 5.545
71 H2* C 7 H2* C 7 -1.473 7.915 4.534
72 2HO* C 7 2HO* C 7 -0.788 6.918 6.942
73 H1* C 7 H1* C 7 -1.286 5.105 4.449
74 1H4 C 7 H41 C 7 -2.036 7.173 -1.516
75 2H4 C 7 H42 C 7 -3.687 7.647 -1.189
76 H5 C 7 H5 C 7 -4.703 7.471 0.994
77 H6 C 7 H6 C 7 -4.347 6.818 3.331
78 1H5* U 8 2H5* U 8 0.219 7.769 8.252
79 2H5* U 8 1H5* U 8 0.948 9.369 8.480
80 H4* U 8 H4* U 8 2.383 7.369 7.528
81 H3* U 8 H3* U 8 2.359 10.274 6.631
82 H2* U 8 H2* U 8 3.989 9.763 4.982
83 2HO* U 8 2HO* U 8 5.071 8.266 6.646
84 H1* U 8 H1* U 8 2.937 7.391 4.127
85 H3 U 8 H3 U 8 2.466 10.669 0.960
86 H5 U 8 H5 U 8 -0.846 11.125 3.522
87 H6 U 8 H6 U 8 0.165 9.488 5.009
88 1H5* C 9 2H5* C 9 6.960 9.662 6.837
89 2H5* C 9 1H5* C 9 7.319 11.239 7.570
90 H4* C 9 H4* C 9 8.225 10.666 5.159
91 H3* C 9 H3* C 9 7.222 13.191 6.373
92 H2* C 9 H2* C 9 6.540 14.191 4.416
93 2HO* C 9 2HO* C 9 8.487 12.945 2.810
94 H1* C 9 H1* C 9 6.767 11.949 2.577
95 1H4 C 9 H41 C 9 0.980 14.494 1.786
96 2H4 C 9 H42 C 9 0.469 13.854 3.331
97 H5 C 9 H5 C 9 1.955 12.704 4.844
98 H6 C 9 H6 C 9 4.243 11.923 5.196
99 1H5* C 10 2H5* C 10 8.483 16.064 5.652
100 2H5* C 10 1H5* C 10 9.154 14.733 4.686
101 H4* C 10 H4* C 10 10.530 17.364 5.376
102 H3* C 10 H3* C 10 8.723 16.871 3.298
103 H2* C 10 H2* C 10 9.948 15.161 2.206
104 2HO* C 10 2HO* C 10 10.119 16.368 0.469
105 H1* C 10 H1* C 10 12.591 16.501 2.728
106 1H4 C 10 H41 C 10 14.462 10.715 0.906
107 2H4 C 10 H42 C 10 13.372 9.951 2.042
108 H5 C 10 H5 C 10 11.840 11.184 3.434
109 H6 C 10 H6 C 10 11.014 13.419 4.031
110 1H5* C 11 2H5* C 11 10.390 18.338 1.001
111 2H5* C 11 1H5* C 11 10.615 19.980 0.366
112 H4* C 11 H4* C 11 9.978 18.408 -1.427
113 H3* C 11 H3* C 11 8.864 20.919 -1.039
114 H2* C 11 H2* C 11 6.820 20.243 -0.054
115 2HO* C 11 2HO* C 11 5.760 21.048 -1.712
116 H1* C 11 H1* C 11 6.601 17.792 -1.789
117 1H4 C 11 H41 C 11 2.247 16.718 2.715
118 2H4 C 11 H42 C 11 3.451 16.895 3.972
119 H5 C 11 H5 C 11 5.738 17.510 3.533
120 H6 C 11 H6 C 11 7.365 18.088 1.794
121 1H5* G 12 2H5* G 12 8.454 17.975 -4.455
122 2H5* G 12 1H5* G 12 9.213 17.186 -3.059
123 H4* G 12 H4* G 12 10.068 16.750 -5.944
124 H3* G 12 H3* G 12 7.950 15.469 -4.247
125 H2* G 12 H2* G 12 8.710 13.297 -4.574
126 2HO* G 12 2HO* G 12 10.373 13.859 -6.762
127 H1* G 12 H1* G 12 11.464 13.778 -5.029
128 H8 G 12 H8 G 12 12.662 12.942 -2.867
129 H1 G 12 H1 G 12 7.286 13.146 0.550
130 1H2 G 12 H21 G 12 5.685 14.145 -0.601
131 2H2 G 12 H22 G 12 5.933 14.765 -2.219
132 1H5* A 13 2H5* A 13 6.629 11.865 -8.521
133 2H5* A 13 1H5* A 13 5.608 12.411 -7.174
134 H4* A 13 H4* A 13 8.152 10.762 -7.060
135 H3* A 13 H3* A 13 5.234 10.367 -6.370
136 H2* A 13 H2* A 13 5.793 9.121 -4.444
137 2HO* A 13 2HO* A 13 8.558 9.134 -4.991
138 H1* A 13 H1* A 13 7.860 10.647 -3.542
139 H8 A 13 H8 A 13 5.529 13.217 -4.759
140 1H6 A 13 H61 A 13 1.912 12.199 0.116
141 2H6 A 13 H62 A 13 2.239 13.268 -1.230
142 H2 A 13 H2 A 13 4.919 8.868 -0.098
143 1H5* G 14 2H5* G 14 7.616 7.301 -6.416
144 2H5* G 14 1H5* G 14 7.393 5.546 -6.559
145 H4* G 14 H4* G 14 7.966 6.649 -4.225
146 H3* G 14 H3* G 14 6.808 4.189 -4.959
147 H2* G 14 H2* G 14 4.581 4.638 -4.397
148 2HO* G 14 2HO* G 14 5.580 4.518 -1.735
149 H1* G 14 H1* G 14 5.259 6.539 -2.183
150 H8 G 14 H8 G 14 3.663 7.360 -5.574
151 H1 G 14 H1 G 14 -0.472 6.885 -0.747
152 1H2 G 14 H21 G 14 0.568 6.163 1.062
153 2H2 G 14 H22 G 14 2.276 5.794 1.085
154 1H5* U 15 2H5* U 15 9.206 5.200 -1.113
155 2H5* U 15 1H5* U 15 10.709 4.382 -1.588
156 H4* U 15 H4* U 15 11.145 4.324 0.632
157 H3* U 15 H3* U 15 9.017 2.192 0.365
158 H2* U 15 H2* U 15 9.250 1.831 2.718
159 2HO* U 15 2HO* U 15 10.927 2.673 3.890
160 H1* U 15 H1* U 15 9.163 4.469 3.369
161 H3 U 15 H3 U 15 5.034 3.226 4.587
162 H5 U 15 H5 U 15 4.899 3.043 0.379
163 H6 U 15 H6 U 15 7.275 3.506 0.346
164 1H5* G 16 2H5* G 16 9.108 -1.419 -0.856
165 2H5* G 16 1H5* G 16 7.914 -0.502 -1.796
166 H4* G 16 H4* G 16 8.101 -0.697 1.254
167 H3* G 16 H3* G 16 6.254 -1.886 -0.923
168 H2* G 16 H2* G 16 4.376 -1.595 0.451
169 2HO* G 16 2HO* G 16 5.898 -0.987 2.762
170 H1* G 16 H1* G 16 5.149 0.776 1.775
171 H8 G 16 H8 G 16 5.501 0.959 -2.018
172 H1 G 16 H1 G 16 -0.473 1.889 0.026
173 1H2 G 16 H21 G 16 -0.622 1.420 2.186
174 2H2 G 16 H22 G 16 0.750 0.881 3.128
175 1H5* C 17 2H5* C 17 5.819 -3.053 3.408
176 2H5* C 17 1H5* C 17 6.043 -4.814 3.416
177 H4* C 17 H4* C 17 4.396 -4.228 5.098
178 H3* C 17 H3* C 17 3.391 -5.625 2.602
179 H2* C 17 H2* C 17 1.177 -5.570 3.406
180 2HO* C 17 2HO* C 17 0.989 -4.732 5.764
181 H1* C 17 H1* C 17 1.253 -3.042 4.611
182 1H4 C 17 H41 C 17 -1.642 -2.350 -1.010
183 2H4 C 17 H42 C 17 -0.117 -2.491 -1.854
184 H5 C 17 H5 C 17 1.960 -2.960 -0.743
185 H6 C 17 H6 C 17 3.039 -3.397 1.416
186 1H5* A 18 2H5* A 18 1.378 -7.010 6.169
187 2H5* A 18 1H5* A 18 1.814 -8.722 6.334
188 H4* A 18 H4* A 18 -0.519 -8.552 6.843
189 H3* A 18 H3* A 18 0.159 -9.737 4.153
190 H2* A 18 H2* A 18 -2.126 -9.890 3.556
191 2HO* A 18 2HO* A 18 -3.779 -9.785 5.068
192 H1* A 18 H1* A 18 -2.977 -7.490 4.497
193 H8 A 18 H8 A 18 0.564 -7.637 3.025
194 1H6 A 18 H61 A 18 -2.030 -6.141 -2.369
195 2H6 A 18 H62 A 18 -0.516 -6.415 -1.536
196 H2 A 18 H2 A 18 -5.310 -6.792 0.637
197 1H5* U 19 2H5* U 19 -2.841 -12.533 6.463
198 2H5* U 19 1H5* U 19 -2.861 -14.065 5.566
199 H4* U 19 H4* U 19 -5.035 -12.565 5.694
200 H3* U 19 H3* U 19 -3.896 -14.097 3.343
201 H2* U 19 H2* U 19 -5.602 -13.292 1.924
202 2HO* U 19 2HO* U 19 -7.535 -12.573 2.667
203 H1* U 19 H1* U 19 -5.674 -10.675 2.855
204 H3 U 19 H3 U 19 -3.918 -10.604 -1.352
205 H5 U 19 H5 U 19 -0.736 -11.972 1.127
206 H6 U 19 H6 U 19 -2.320 -12.058 2.963
207 1H5* C 20 2H5* C 20 -8.359 -15.580 3.765
208 2H5* C 20 1H5* C 20 -8.279 -17.179 3.000
209 H4* C 20 H4* C 20 -9.847 -15.306 2.003
210 H3* C 20 H3* C 20 -8.063 -17.271 0.534
211 H2* C 20 H2* C 20 -8.695 -16.324 -1.541
212 2HO* C 20 2HO* C 20 -10.866 -15.274 -0.038
213 H1* C 20 H1* C 20 -8.696 -13.680 -0.789
214 1H4 C 20 H41 C 20 -3.144 -15.047 -3.632
215 2H4 C 20 H42 C 20 -2.452 -15.435 -2.072
216 H5 C 20 H5 C 20 -3.742 -15.507 -0.036
217 H6 C 20 H6 C 20 -5.974 -15.222 0.941
218 1H5* C 21 2H5* C 21 -11.108 -16.493 -1.976
219 2H5* C 21 1H5* C 21 -12.058 -17.977 -2.185
220 H4* C 21 H4* C 21 -11.565 -17.019 -4.376
221 H3* C 21 H3* C 21 -10.056 -19.535 -3.617
222 H2* C 21 H2* C 21 -8.965 -19.536 -5.652
223 2HO* C 21 2HO* C 21 -10.848 -17.752 -6.816
224 H1* C 21 H1* C 21 -9.144 -16.693 -6.122
225 1H4 C 21 H41 C 21 -2.949 -18.080 -5.709
226 2H4 C 21 H42 C 21 -3.113 -18.455 -4.008
227 H5 C 21 H5 C 21 -5.226 -18.447 -2.851
228 H6 C 21 H6 C 21 -7.638 -18.076 -3.074
229 H3T C 21 H3T C 21 -12.520 -19.028 -4.256
Start of MODEL 4
1 1H5* G 1 2H5* G 1 0.199 -17.033 -14.263
2 2H5* G 1 1H5* G 1 0.425 -15.436 -15.005
3 H4* G 1 H4* G 1 -1.738 -15.779 -15.678
4 H3* G 1 H3* G 1 -1.861 -14.672 -12.865
5 H2* G 1 H2* G 1 -4.198 -15.019 -12.775
6 2HO* G 1 2HO* G 1 -3.939 -14.961 -15.566
7 H1* G 1 H1* G 1 -4.308 -17.444 -14.014
8 H8 G 1 H8 G 1 -1.431 -18.111 -11.925
9 H1 G 1 H1 G 1 -6.546 -17.103 -8.256
10 1H2 G 1 H21 G 1 -8.166 -16.165 -9.447
11 2H2 G 1 H22 G 1 -7.984 -15.787 -11.145
12 H5T G 1 H5T G 1 0.003 -14.482 -13.042
13 1H5* G 2 2H5* G 2 -5.507 -13.809 -14.365
14 2H5* G 2 1H5* G 2 -5.368 -12.123 -14.900
15 H4* G 2 H4* G 2 -7.499 -12.254 -13.887
16 H3* G 2 H3* G 2 -5.351 -10.979 -12.219
17 H2* G 2 H2* G 2 -6.568 -11.027 -10.248
18 2HO* G 2 2HO* G 2 -8.694 -10.566 -10.192
19 H1* G 2 H1* G 2 -8.379 -13.134 -10.778
20 H8 G 2 H8 G 2 -4.723 -14.115 -10.911
21 H1 G 2 H1 G 2 -7.069 -13.920 -4.986
22 1H2 G 2 H21 G 2 -9.083 -12.986 -5.002
23 2H2 G 2 H22 G 2 -9.841 -12.412 -6.469
24 1H5* A 3 2H5* A 3 -8.385 -9.230 -11.403
25 2H5* A 3 1H5* A 3 -8.863 -7.569 -11.778
26 H4* A 3 H4* A 3 -9.292 -7.699 -9.505
27 H3* A 3 H3* A 3 -6.573 -6.534 -10.106
28 H2* A 3 H2* A 3 -5.966 -6.658 -7.873
29 2HO* A 3 2HO* A 3 -7.685 -6.309 -6.232
30 H1* A 3 H1* A 3 -8.237 -8.368 -7.083
31 H8 A 3 H8 A 3 -4.885 -9.295 -8.752
32 1H6 A 3 H61 A 3 -3.058 -11.222 -3.210
33 2H6 A 3 H62 A 3 -2.626 -11.091 -4.899
34 H2 A 3 H2 A 3 -7.151 -9.423 -2.766
35 1H5* U 4 2H5* U 4 -9.551 -4.943 -7.404
36 2H5* U 4 1H5* U 4 -9.856 -3.199 -7.529
37 H4* U 4 H4* U 4 -10.149 -3.761 -5.231
38 H3* U 4 H3* U 4 -7.523 -2.394 -5.884
39 H2* U 4 H2* U 4 -6.811 -2.566 -3.649
40 2HO* U 4 2HO* U 4 -8.944 -3.461 -2.308
41 H1* U 4 H1* U 4 -8.005 -5.002 -2.994
42 H3 U 4 H3 U 4 -3.719 -6.093 -2.400
43 H5 U 4 H5 U 4 -3.879 -5.061 -6.525
44 H6 U 4 H6 U 4 -6.206 -4.432 -6.191
45 1H5* G 5 2H5* G 5 -10.560 -0.790 -2.378
46 2H5* G 5 1H5* G 5 -10.108 0.919 -2.210
47 H4* G 5 H4* G 5 -10.395 -0.379 -0.030
48 H3* G 5 H3* G 5 -8.003 1.271 -0.820
49 H2* G 5 H2* G 5 -6.748 0.595 1.060
50 2HO* G 5 2HO* G 5 -9.294 -0.136 2.099
51 H1* G 5 H1* G 5 -7.428 -2.035 1.142
52 H8 G 5 H8 G 5 -7.076 -0.623 -2.395
53 H1 G 5 H1 G 5 -1.562 -2.524 0.172
54 1H2 G 5 H21 G 5 -1.861 -3.076 2.295
55 2H2 G 5 H22 G 5 -3.420 -2.973 3.082
56 1H5* C 6 2H5* C 6 -7.770 1.056 3.543
57 2H5* C 6 1H5* C 6 -7.860 2.768 3.971
58 H4* C 6 H4* C 6 -5.819 1.469 4.795
59 H3* C 6 H3* C 6 -5.871 4.134 3.366
60 H2* C 6 H2* C 6 -3.582 4.078 3.035
61 2HO* C 6 2HO* C 6 -3.589 4.023 5.547
62 H1* C 6 H1* C 6 -3.263 1.262 3.841
63 1H4 C 6 H41 C 6 0.235 1.861 -1.444
64 2H4 C 6 H42 C 6 -1.148 2.455 -2.335
65 H5 C 6 H5 C 6 -3.307 2.824 -1.332
66 H6 C 6 H6 C 6 -4.610 2.708 0.743
67 1H5* C 7 2H5* C 7 -4.000 5.045 7.926
68 2H5* C 7 1H5* C 7 -3.741 6.796 7.794
69 H4* C 7 H4* C 7 -1.694 5.152 8.176
70 H3* C 7 H3* C 7 -1.872 7.604 6.397
71 H2* C 7 H2* C 7 0.336 7.231 5.633
72 2HO* C 7 2HO* C 7 1.352 6.832 7.602
73 H1* C 7 H1* C 7 0.224 4.493 5.425
74 1H4 C 7 H41 C 7 -0.881 6.706 -0.419
75 2H4 C 7 H42 C 7 -2.507 7.179 0.024
76 H5 C 7 H5 C 7 -3.372 6.985 2.265
77 H6 C 7 H6 C 7 -2.852 6.302 4.571
78 1H5* U 8 2H5* U 8 1.686 8.605 9.619
79 2H5* U 8 1H5* U 8 1.690 10.373 9.467
80 H4* U 8 H4* U 8 3.883 8.980 8.979
81 H3* U 8 H3* U 8 2.774 11.374 7.475
82 H2* U 8 H2* U 8 4.552 11.233 5.913
83 2HO* U 8 2HO* U 8 5.792 9.406 7.734
84 H1* U 8 H1* U 8 4.637 8.511 5.642
85 H3 U 8 H3 U 8 3.039 10.168 1.731
86 H5 U 8 H5 U 8 -0.236 10.420 4.376
87 H6 U 8 H6 U 8 1.248 9.737 6.172
88 1H5* C 9 2H5* C 9 7.005 11.596 7.045
89 2H5* C 9 1H5* C 9 7.435 13.274 7.426
90 H4* C 9 H4* C 9 7.923 12.302 5.030
91 H3* C 9 H3* C 9 7.380 14.946 6.021
92 H2* C 9 H2* C 9 5.580 15.520 4.695
93 2HO* C 9 2HO* C 9 6.137 15.705 2.393
94 H1* C 9 H1* C 9 5.858 13.376 2.662
95 1H4 C 9 H41 C 9 -0.384 14.555 2.814
96 2H4 C 9 H42 C 9 -0.455 14.144 4.513
97 H5 C 9 H5 C 9 1.492 13.586 5.822
98 H6 C 9 H6 C 9 3.924 13.315 5.782
99 1H5* C 10 2H5* C 10 7.583 17.940 4.058
100 2H5* C 10 1H5* C 10 8.040 16.445 3.217
101 H4* C 10 H4* C 10 9.558 19.078 3.301
102 H3* C 10 H3* C 10 7.609 18.085 1.488
103 H2* C 10 H2* C 10 8.892 16.478 0.392
104 2HO* C 10 2HO* C 10 10.406 17.667 -1.158
105 H1* C 10 H1* C 10 11.514 17.866 0.820
106 1H4 C 10 H41 C 10 13.386 11.942 -0.447
107 2H4 C 10 H42 C 10 12.165 11.265 0.608
108 H5 C 10 H5 C 10 10.558 12.600 1.794
109 H6 C 10 H6 C 10 9.778 14.897 2.241
110 1H5* C 11 2H5* C 11 7.861 18.628 -0.962
111 2H5* C 11 1H5* C 11 7.750 20.191 -1.792
112 H4* C 11 H4* C 11 6.505 18.459 -3.012
113 H3* C 11 H3* C 11 5.545 20.978 -2.509
114 H2* C 11 H2* C 11 4.340 20.386 -0.508
115 2HO* C 11 2HO* C 11 2.537 19.915 -2.684
116 H1* C 11 H1* C 11 3.289 17.918 -1.914
117 1H4 C 11 H41 C 11 1.137 16.952 3.985
118 2H4 C 11 H42 C 11 2.765 17.029 4.619
119 H5 C 11 H5 C 11 4.686 17.560 3.274
120 H6 C 11 H6 C 11 5.466 18.130 1.021
121 1H5* G 12 2H5* G 12 4.017 16.523 -5.359
122 2H5* G 12 1H5* G 12 5.145 17.197 -4.167
123 H4* G 12 H4* G 12 6.196 16.497 -6.892
124 H3* G 12 H3* G 12 5.181 14.531 -4.839
125 H2* G 12 H2* G 12 7.144 13.274 -4.867
126 2HO* G 12 2HO* G 12 7.701 14.451 -7.420
127 H1* G 12 H1* G 12 9.004 15.309 -5.550
128 H8 G 12 H8 G 12 10.493 14.775 -3.567
129 H1 G 12 H1 G 12 5.688 14.482 0.610
130 1H2 G 12 H21 G 12 3.765 14.862 -0.403
131 2H2 G 12 H22 G 12 3.650 15.195 -2.115
132 1H5* A 13 2H5* A 13 7.694 11.740 -7.582
133 2H5* A 13 1H5* A 13 6.431 10.498 -7.714
134 H4* A 13 H4* A 13 8.756 10.065 -6.418
135 H3* A 13 H3* A 13 5.955 9.028 -5.968
136 H2* A 13 H2* A 13 6.606 7.953 -3.949
137 2HO* A 13 2HO* A 13 9.250 8.379 -4.928
138 H1* A 13 H1* A 13 8.132 9.942 -2.915
139 H8 A 13 H8 A 13 4.983 10.878 -4.946
140 1H6 A 13 H61 A 13 1.974 10.762 0.431
141 2H6 A 13 H62 A 13 1.837 11.093 -1.281
142 H2 A 13 H2 A 13 6.222 9.505 1.180
143 1H5* G 14 2H5* G 14 9.107 6.433 -5.306
144 2H5* G 14 1H5* G 14 8.906 4.676 -5.444
145 H4* G 14 H4* G 14 9.578 5.782 -3.142
146 H3* G 14 H3* G 14 8.429 3.298 -3.819
147 H2* G 14 H2* G 14 6.219 3.766 -3.168
148 2HO* G 14 2HO* G 14 6.225 3.491 -0.676
149 H1* G 14 H1* G 14 7.084 5.572 -0.923
150 H8 G 14 H8 G 14 5.081 6.323 -4.124
151 H1 G 14 H1 G 14 1.572 6.009 1.183
152 1H2 G 14 H21 G 14 2.851 5.369 2.890
153 2H2 G 14 H22 G 14 4.553 5.023 2.708
154 1H5* U 15 2H5* U 15 10.663 4.042 0.473
155 2H5* U 15 1H5* U 15 12.014 3.081 -0.158
156 H4* U 15 H4* U 15 12.457 2.781 2.060
157 H3* U 15 H3* U 15 10.254 0.801 1.465
158 H2* U 15 H2* U 15 10.429 0.076 3.734
159 2HO* U 15 2HO* U 15 12.708 0.161 3.927
160 H1* U 15 H1* U 15 10.449 2.580 4.792
161 H3 U 15 H3 U 15 6.256 1.333 5.765
162 H5 U 15 H5 U 15 6.165 1.866 1.586
163 H6 U 15 H6 U 15 8.560 2.217 1.640
164 1H5* G 16 2H5* G 16 10.278 -2.745 -0.058
165 2H5* G 16 1H5* G 16 9.150 -1.738 -0.987
166 H4* G 16 H4* G 16 9.142 -2.285 2.021
167 H3* G 16 H3* G 16 7.327 -2.964 -0.393
168 H2* G 16 H2* G 16 5.408 -2.710 0.936
169 2HO* G 16 2HO* G 16 6.385 -2.376 3.436
170 H1* G 16 H1* G 16 6.299 -0.618 2.602
171 H8 G 16 H8 G 16 6.850 -0.116 -1.166
172 H1 G 16 H1 G 16 1.001 1.466 0.845
173 1H2 G 16 H21 G 16 0.730 0.847 2.956
174 2H2 G 16 H22 G 16 1.991 0.050 3.870
175 1H5* C 17 2H5* C 17 6.299 -4.579 3.658
176 2H5* C 17 1H5* C 17 6.367 -6.338 3.439
177 H4* C 17 H4* C 17 4.553 -5.829 4.952
178 H3* C 17 H3* C 17 3.780 -6.710 2.154
179 H2* C 17 H2* C 17 1.494 -6.529 2.684
180 2HO* C 17 2HO* C 17 2.075 -6.179 5.452
181 H1* C 17 H1* C 17 1.645 -4.264 4.346
182 1H4 C 17 H41 C 17 -0.579 -2.325 -1.288
183 2H4 C 17 H42 C 17 1.012 -2.459 -2.002
184 H5 C 17 H5 C 17 2.919 -3.314 -0.814
185 H6 C 17 H6 C 17 3.723 -4.229 1.315
186 1H5* A 18 2H5* A 18 1.749 -9.215 5.827
187 2H5* A 18 1H5* A 18 1.369 -10.746 5.016
188 H4* A 18 H4* A 18 -0.519 -9.515 6.321
189 H3* A 18 H3* A 18 -0.634 -10.835 3.623
190 H2* A 18 H2* A 18 -2.793 -10.011 3.154
191 2HO* A 18 2HO* A 18 -3.951 -10.413 4.958
192 H1* A 18 H1* A 18 -2.571 -7.498 4.162
193 H8 A 18 H8 A 18 0.675 -8.595 2.546
194 1H6 A 18 H61 A 18 -1.694 -6.670 -2.814
195 2H6 A 18 H62 A 18 -0.251 -7.248 -2.011
196 H2 A 18 H2 A 18 -4.952 -6.556 0.281
197 1H5* U 19 2H5* U 19 -4.125 -12.712 6.030
198 2H5* U 19 1H5* U 19 -4.550 -14.213 5.180
199 H4* U 19 H4* U 19 -6.258 -12.225 5.201
200 H3* U 19 H3* U 19 -5.445 -13.980 2.873
201 H2* U 19 H2* U 19 -6.801 -12.752 1.390
202 2HO* U 19 2HO* U 19 -8.699 -12.614 2.542
203 H1* U 19 H1* U 19 -6.317 -10.204 2.414
204 H3 U 19 H3 U 19 -4.514 -10.547 -1.785
205 H5 U 19 H5 U 19 -1.668 -12.354 0.819
206 H6 U 19 H6 U 19 -3.303 -12.157 2.602
207 1H5* C 20 2H5* C 20 -10.038 -14.727 3.389
208 2H5* C 20 1H5* C 20 -10.366 -16.231 2.505
209 H4* C 20 H4* C 20 -11.377 -13.941 1.664
210 H3* C 20 H3* C 20 -10.169 -16.205 0.051
211 H2* C 20 H2* C 20 -10.459 -14.983 -1.953
212 2HO* C 20 2HO* C 20 -12.274 -13.432 -0.398
213 H1* C 20 H1* C 20 -9.774 -12.492 -1.015
214 1H4 C 20 H41 C 20 -4.737 -15.158 -3.912
215 2H4 C 20 H42 C 20 -4.162 -15.709 -2.354
216 H5 C 20 H5 C 20 -5.440 -15.483 -0.321
217 H6 C 20 H6 C 20 -7.544 -14.682 0.654
218 1H5* C 21 2H5* C 21 -12.841 -14.529 -2.631
219 2H5* C 21 1H5* C 21 -14.138 -15.734 -2.763
220 H4* C 21 H4* C 21 -13.433 -15.054 -5.001
221 H3* C 21 H3* C 21 -12.626 -17.825 -4.085
222 H2* C 21 H2* C 21 -11.539 -18.223 -6.078
223 2HO* C 21 2HO* C 21 -13.494 -16.466 -7.114
224 H1* C 21 H1* C 21 -11.020 -15.456 -6.739
225 1H4 C 21 H41 C 21 -5.304 -18.170 -6.160
226 2H4 C 21 H42 C 21 -5.597 -18.530 -4.473
227 H5 C 21 H5 C 21 -7.685 -18.062 -3.366
228 H6 C 21 H6 C 21 -9.943 -17.143 -3.637
229 H3T C 21 H3T C 21 -14.668 -18.042 -4.587
Start of MODEL 5
1 1H5* G 1 2H5* G 1 1.108 -16.742 -13.705
2 2H5* G 1 1H5* G 1 1.105 -15.116 -14.417
3 H4* G 1 H4* G 1 -0.980 -15.762 -15.112
4 H3* G 1 H3* G 1 -1.283 -14.718 -12.289
5 H2* G 1 H2* G 1 -3.545 -15.397 -12.227
6 2HO* G 1 2HO* G 1 -4.567 -16.151 -14.236
7 H1* G 1 H1* G 1 -3.298 -17.798 -13.490
8 H8 G 1 H8 G 1 -0.391 -18.154 -11.411
9 H1 G 1 H1 G 1 -5.559 -17.688 -7.704
10 1H2 G 1 H21 G 1 -7.270 -16.910 -8.881
11 2H2 G 1 H22 G 1 -7.139 -16.505 -10.577
12 H5T G 1 H5T G 1 0.231 -15.695 -11.779
13 1H5* G 2 2H5* G 2 -4.965 -14.386 -13.958
14 2H5* G 2 1H5* G 2 -5.054 -12.696 -14.492
15 H4* G 2 H4* G 2 -7.208 -13.170 -13.630
16 H3* G 2 H3* G 2 -5.417 -11.611 -11.765
17 H2* G 2 H2* G 2 -6.914 -11.761 -9.980
18 2HO* G 2 2HO* G 2 -9.192 -12.679 -11.045
19 H1* G 2 H1* G 2 -8.144 -14.210 -10.566
20 H8 G 2 H8 G 2 -4.392 -14.548 -10.464
21 H1 G 2 H1 G 2 -7.021 -14.408 -4.661
22 1H2 G 2 H21 G 2 -9.154 -13.807 -4.809
23 2H2 G 2 H22 G 2 -9.923 -13.441 -6.336
24 1H5* A 3 2H5* A 3 -8.806 -9.889 -11.292
25 2H5* A 3 1H5* A 3 -9.001 -8.175 -11.677
26 H4* A 3 H4* A 3 -9.739 -8.510 -9.424
27 H3* A 3 H3* A 3 -7.123 -7.065 -9.876
28 H2* A 3 H2* A 3 -6.628 -7.126 -7.620
29 2HO* A 3 2HO* A 3 -8.180 -5.731 -6.935
30 H1* A 3 H1* A 3 -8.751 -9.050 -6.928
31 H8 A 3 H8 A 3 -5.297 -9.736 -8.452
32 1H6 A 3 H61 A 3 -3.443 -11.198 -2.775
33 2H6 A 3 H62 A 3 -2.982 -11.121 -4.459
34 H2 A 3 H2 A 3 -7.681 -9.729 -2.513
35 1H5* U 4 2H5* U 4 -10.516 -5.318 -7.188
36 2H5* U 4 1H5* U 4 -10.487 -3.553 -7.361
37 H4* U 4 H4* U 4 -10.881 -4.221 -5.022
38 H3* U 4 H3* U 4 -8.340 -2.753 -5.776
39 H2* U 4 H2* U 4 -7.532 -2.875 -3.580
40 2HO* U 4 2HO* U 4 -9.779 -2.147 -2.852
41 H1* U 4 H1* U 4 -8.654 -5.322 -2.815
42 H3 U 4 H3 U 4 -4.325 -6.239 -2.247
43 H5 U 4 H5 U 4 -4.582 -5.380 -6.407
44 H6 U 4 H6 U 4 -6.925 -4.819 -6.060
45 1H5* G 5 2H5* G 5 -11.353 -0.618 -2.066
46 2H5* G 5 1H5* G 5 -10.482 0.929 -2.071
47 H4* G 5 H4* G 5 -10.916 -0.341 0.201
48 H3* G 5 H3* G 5 -8.514 1.200 -0.751
49 H2* G 5 H2* G 5 -7.154 0.485 1.039
50 2HO* G 5 2HO* G 5 -9.443 0.593 2.377
51 H1* G 5 H1* G 5 -7.944 -2.108 1.230
52 H8 G 5 H8 G 5 -7.814 -0.895 -2.375
53 H1 G 5 H1 G 5 -2.148 -2.725 -0.105
54 1H2 G 5 H21 G 5 -2.289 -3.116 2.071
55 2H2 G 5 H22 G 5 -3.781 -2.927 2.964
56 1H5* C 6 2H5* C 6 -7.946 0.941 3.532
57 2H5* C 6 1H5* C 6 -7.997 2.643 4.007
58 H4* C 6 H4* C 6 -5.911 1.338 4.666
59 H3* C 6 H3* C 6 -5.997 4.002 3.216
60 H2* C 6 H2* C 6 -3.698 3.934 2.910
61 2HO* C 6 2HO* C 6 -3.700 3.741 5.423
62 H1* C 6 H1* C 6 -3.431 1.087 3.553
63 1H4 C 6 H41 C 6 -0.186 2.033 -1.858
64 2H4 C 6 H42 C 6 -1.642 2.563 -2.671
65 H5 C 6 H5 C 6 -3.771 2.779 -1.563
66 H6 C 6 H6 C 6 -4.968 2.529 0.567
67 1H5* C 7 2H5* C 7 -3.682 4.737 7.407
68 2H5* C 7 1H5* C 7 -3.553 6.507 7.435
69 H4* C 7 H4* C 7 -1.375 4.994 7.361
70 H3* C 7 H3* C 7 -1.898 7.540 5.765
71 H2* C 7 H2* C 7 0.300 7.355 4.919
72 2HO* C 7 2HO* C 7 1.891 6.131 5.942
73 H1* C 7 H1* C 7 0.367 4.544 4.802
74 1H4 C 7 H41 C 7 -0.082 6.741 -1.139
75 2H4 C 7 H42 C 7 -1.797 7.017 -0.935
76 H5 C 7 H5 C 7 -2.941 6.705 1.170
77 H6 C 7 H6 C 7 -2.674 6.066 3.524
78 1H5* U 8 2H5* U 8 1.545 8.240 9.092
79 2H5* U 8 1H5* U 8 1.771 9.999 9.146
80 H4* U 8 H4* U 8 3.809 8.405 8.618
81 H3* U 8 H3* U 8 3.079 11.064 7.357
82 H2* U 8 H2* U 8 4.886 10.890 5.844
83 2HO* U 8 2HO* U 8 5.869 9.027 7.744
84 H1* U 8 H1* U 8 4.724 8.199 5.305
85 H3 U 8 H3 U 8 3.616 10.428 1.513
86 H5 U 8 H5 U 8 0.167 10.689 3.916
87 H6 U 8 H6 U 8 1.435 9.683 5.727
88 1H5* C 9 2H5* C 9 7.691 11.588 7.345
89 2H5* C 9 1H5* C 9 7.634 13.222 8.039
90 H4* C 9 H4* C 9 8.570 12.849 5.599
91 H3* C 9 H3* C 9 7.082 15.049 6.872
92 H2* C 9 H2* C 9 5.785 15.664 5.079
93 2HO* C 9 2HO* C 9 7.997 15.317 3.328
94 H1* C 9 H1* C 9 6.717 13.696 3.103
95 1H4 C 9 H41 C 9 0.421 14.055 2.307
96 2H4 C 9 H42 C 9 0.143 13.563 3.962
97 H5 C 9 H5 C 9 1.920 13.182 5.544
98 H6 C 9 H6 C 9 4.341 13.178 5.877
99 1H5* C 10 2H5* C 10 7.501 18.698 5.678
100 2H5* C 10 1H5* C 10 7.166 17.521 4.394
101 H4* C 10 H4* C 10 7.832 20.327 4.158
102 H3* C 10 H3* C 10 6.282 18.541 2.706
103 H2* C 10 H2* C 10 8.040 17.259 1.758
104 2HO* C 10 2HO* C 10 8.409 19.278 -0.129
105 H1* C 10 H1* C 10 9.791 19.633 1.221
106 1H4 C 10 H41 C 10 13.905 14.821 0.755
107 2H4 C 10 H42 C 10 13.353 14.132 2.265
108 H5 C 10 H5 C 10 11.549 15.065 3.559
109 H6 C 10 H6 C 10 9.878 16.864 3.681
110 1H5* C 11 2H5* C 11 6.927 20.331 -0.314
111 2H5* C 11 1H5* C 11 6.108 21.684 -1.121
112 H4* C 11 H4* C 11 6.456 19.586 -2.536
113 H3* C 11 H3* C 11 4.388 21.409 -2.657
114 H2* C 11 H2* C 11 2.847 20.230 -1.273
115 2HO* C 11 2HO* C 11 1.341 19.452 -2.648
116 H1* C 11 H1* C 11 3.617 17.574 -2.476
117 1H4 C 11 H41 C 11 0.157 15.849 2.570
118 2H4 C 11 H42 C 11 1.237 16.710 3.643
119 H5 C 11 H5 C 11 3.080 18.049 2.866
120 H6 C 11 H6 C 11 4.289 18.854 0.892
121 1H5* G 12 2H5* G 12 5.715 17.753 -5.154
122 2H5* G 12 1H5* G 12 6.526 17.663 -3.577
123 H4* G 12 H4* G 12 7.866 17.347 -6.291
124 H3* G 12 H3* G 12 6.757 15.415 -4.266
125 H2* G 12 H2* G 12 8.672 14.088 -4.236
126 2HO* G 12 2HO* G 12 10.181 14.151 -6.031
127 H1* G 12 H1* G 12 10.633 16.038 -4.828
128 H8 G 12 H8 G 12 11.981 15.932 -2.660
129 H1 G 12 H1 G 12 6.877 14.803 0.989
130 1H2 G 12 H21 G 12 5.033 14.876 -0.234
131 2H2 G 12 H22 G 12 5.057 15.204 -1.953
132 1H5* A 13 2H5* A 13 9.220 12.427 -7.063
133 2H5* A 13 1H5* A 13 7.838 11.318 -7.175
134 H4* A 13 H4* A 13 10.164 10.746 -5.851
135 H3* A 13 H3* A 13 7.331 9.753 -5.687
136 H2* A 13 H2* A 13 7.679 8.664 -3.620
137 2HO* A 13 2HO* A 13 10.445 9.143 -3.541
138 H1* A 13 H1* A 13 9.204 10.521 -2.368
139 H8 A 13 H8 A 13 6.489 12.002 -4.628
140 1H6 A 13 H61 A 13 2.686 11.514 0.202
141 2H6 A 13 H62 A 13 2.854 12.112 -1.435
142 H2 A 13 H2 A 13 6.587 9.571 1.291
143 1H5* G 14 2H5* G 14 10.356 6.708 -4.950
144 2H5* G 14 1H5* G 14 9.809 5.022 -5.041
145 H4* G 14 H4* G 14 10.540 6.078 -2.727
146 H3* G 14 H3* G 14 8.327 4.134 -3.388
147 H2* G 14 H2* G 14 7.289 4.344 -1.322
148 2HO* G 14 2HO* G 14 9.818 5.243 -0.332
149 H1* G 14 H1* G 14 8.048 6.958 -0.602
150 H8 G 14 H8 G 14 6.368 6.950 -3.967
151 H1 G 14 H1 G 14 2.200 6.278 0.799
152 1H2 G 14 H21 G 14 3.284 5.872 2.700
153 2H2 G 14 H22 G 14 5.026 5.767 2.783
154 1H5* U 15 2H5* U 15 10.509 3.061 0.550
155 2H5* U 15 1H5* U 15 11.836 2.710 -0.577
156 H4* U 15 H4* U 15 12.658 1.318 0.988
157 H3* U 15 H3* U 15 10.173 -0.157 0.156
158 H2* U 15 H2* U 15 10.478 -1.714 1.900
159 2HO* U 15 2HO* U 15 12.722 -2.055 1.568
160 H1* U 15 H1* U 15 11.313 0.070 3.822
161 H3 U 15 H3 U 15 7.182 -1.940 4.583
162 H5 U 15 H5 U 15 6.501 1.887 2.952
163 H6 U 15 H6 U 15 8.867 1.998 2.401
164 1H5* G 16 2H5* G 16 9.546 -3.090 -1.706
165 2H5* G 16 1H5* G 16 8.380 -1.977 -2.447
166 H4* G 16 H4* G 16 8.818 -2.513 0.536
167 H3* G 16 H3* G 16 6.643 -3.146 -1.558
168 H2* G 16 H2* G 16 4.920 -2.638 -0.067
169 2HO* G 16 2HO* G 16 6.860 -3.206 1.937
170 H1* G 16 H1* G 16 6.176 -0.638 1.485
171 H8 G 16 H8 G 16 6.449 0.098 -2.217
172 H1 G 16 H1 G 16 0.689 1.485 0.167
173 1H2 G 16 H21 G 16 0.503 0.683 2.221
174 2H2 G 16 H22 G 16 1.796 -0.190 3.011
175 1H5* C 17 2H5* C 17 6.091 -4.576 2.862
176 2H5* C 17 1H5* C 17 5.922 -6.322 2.595
177 H4* C 17 H4* C 17 4.408 -5.526 4.376
178 H3* C 17 H3* C 17 3.256 -6.609 1.788
179 H2* C 17 H2* C 17 1.064 -6.243 2.553
180 2HO* C 17 2HO* C 17 1.040 -7.115 4.558
181 H1* C 17 H1* C 17 1.513 -3.858 3.969
182 1H4 C 17 H41 C 17 -1.257 -2.370 -1.576
183 2H4 C 17 H42 C 17 0.266 -2.563 -2.411
184 H5 C 17 H5 C 17 2.262 -3.334 -1.337
185 H6 C 17 H6 C 17 3.259 -4.094 0.771
186 1H5* A 18 2H5* A 18 1.567 -9.060 5.777
187 2H5* A 18 1H5* A 18 1.007 -10.530 4.956
188 H4* A 18 H4* A 18 -0.645 -9.153 6.480
189 H3* A 18 H3* A 18 -1.115 -10.560 3.865
190 H2* A 18 H2* A 18 -3.263 -9.617 3.574
191 2HO* A 18 2HO* A 18 -3.734 -8.181 5.748
192 H1* A 18 H1* A 18 -2.769 -7.082 4.361
193 H8 A 18 H8 A 18 0.335 -8.360 2.651
194 1H6 A 18 H61 A 18 -2.329 -6.905 -2.712
195 2H6 A 18 H62 A 18 -0.841 -7.407 -1.940
196 H2 A 18 H2 A 18 -5.423 -6.544 0.526
197 1H5* U 19 2H5* U 19 -4.545 -12.641 6.424
198 2H5* U 19 1H5* U 19 -4.680 -14.147 5.493
199 H4* U 19 H4* U 19 -6.685 -12.426 5.536
200 H3* U 19 H3* U 19 -5.583 -14.029 3.215
201 H2* U 19 H2* U 19 -7.095 -13.012 1.718
202 2HO* U 19 2HO* U 19 -9.049 -12.923 2.593
203 H1* U 19 H1* U 19 -6.957 -10.421 2.720
204 H3 U 19 H3 U 19 -4.999 -10.610 -1.424
205 H5 U 19 H5 U 19 -2.012 -11.928 1.311
206 H6 U 19 H6 U 19 -3.716 -11.931 3.037
207 1H5* C 20 2H5* C 20 -10.012 -15.468 3.584
208 2H5* C 20 1H5* C 20 -10.057 -17.017 2.719
209 H4* C 20 H4* C 20 -11.384 -14.930 1.788
210 H3* C 20 H3* C 20 -9.760 -16.993 0.272
211 H2* C 20 H2* C 20 -10.171 -15.864 -1.767
212 2HO* C 20 2HO* C 20 -11.787 -13.839 -1.089
213 H1* C 20 H1* C 20 -9.898 -13.288 -0.861
214 1H4 C 20 H41 C 20 -4.394 -15.257 -3.452
215 2H4 C 20 H42 C 20 -3.811 -15.648 -1.850
216 H5 C 20 H5 C 20 -5.200 -15.545 0.121
217 H6 C 20 H6 C 20 -7.445 -15.045 0.973
218 1H5* C 21 2H5* C 21 -12.690 -15.811 -2.433
219 2H5* C 21 1H5* C 21 -13.689 -17.253 -2.704
220 H4* C 21 H4* C 21 -12.968 -16.223 -4.843
221 H3* C 21 H3* C 21 -11.884 -18.950 -4.084
222 H2* C 21 H2* C 21 -10.690 -19.059 -6.057
223 2HO* C 21 2HO* C 21 -11.917 -16.982 -7.432
224 H1* C 21 H1* C 21 -10.431 -16.208 -6.439
225 1H4 C 21 H41 C 21 -4.534 -18.499 -5.757
226 2H4 C 21 H42 C 21 -4.844 -18.887 -4.081
227 H5 C 21 H5 C 21 -6.995 -18.598 -3.033
228 H6 C 21 H6 C 21 -9.311 -17.873 -3.366
229 H3T C 21 H3T C 21 -13.567 -19.603 -5.364
Start of MODEL 6
1 1H5* G 1 2H5* G 1 1.814 -17.300 -13.370
2 2H5* G 1 1H5* G 1 1.805 -15.763 -14.259
3 H4* G 1 H4* G 1 -0.297 -16.472 -14.834
4 H3* G 1 H3* G 1 -0.525 -15.096 -12.150
5 H2* G 1 H2* G 1 -2.785 -15.744 -11.946
6 2HO* G 1 2HO* G 1 -2.975 -16.845 -14.517
7 H1* G 1 H1* G 1 -2.602 -18.270 -12.966
8 H8 G 1 H8 G 1 0.348 -18.319 -10.853
9 H1 G 1 H1 G 1 -4.894 -17.797 -7.260
10 1H2 G 1 H21 G 1 -6.625 -17.224 -8.523
11 2H2 G 1 H22 G 1 -6.487 -16.968 -10.247
12 H5T G 1 H5T G 1 1.600 -16.265 -11.521
13 1H5* G 2 2H5* G 2 -4.263 -14.919 -13.712
14 2H5* G 2 1H5* G 2 -4.312 -13.328 -14.495
15 H4* G 2 H4* G 2 -6.451 -13.522 -13.550
16 H3* G 2 H3* G 2 -4.538 -11.907 -11.875
17 H2* G 2 H2* G 2 -5.944 -11.845 -10.020
18 2HO* G 2 2HO* G 2 -8.340 -12.607 -10.790
19 H1* G 2 H1* G 2 -7.399 -14.220 -10.383
20 H8 G 2 H8 G 2 -3.626 -14.670 -10.322
21 H1 G 2 H1 G 2 -6.238 -14.400 -4.517
22 1H2 G 2 H21 G 2 -8.364 -13.778 -4.669
23 2H2 G 2 H22 G 2 -9.135 -13.433 -6.201
24 1H5* A 3 2H5* A 3 -7.911 -10.415 -11.195
25 2H5* A 3 1H5* A 3 -8.271 -8.755 -11.687
26 H4* A 3 H4* A 3 -8.932 -8.953 -9.412
27 H3* A 3 H3* A 3 -6.393 -7.427 -9.993
28 H2* A 3 H2* A 3 -5.849 -7.337 -7.748
29 2HO* A 3 2HO* A 3 -8.667 -7.082 -7.356
30 H1* A 3 H1* A 3 -7.894 -9.292 -6.904
31 H8 A 3 H8 A 3 -4.399 -9.855 -8.409
32 1H6 A 3 H61 A 3 -2.540 -11.162 -2.696
33 2H6 A 3 H62 A 3 -2.067 -11.092 -4.378
34 H2 A 3 H2 A 3 -6.835 -9.859 -2.492
35 1H5* U 4 2H5* U 4 -10.216 -4.947 -7.796
36 2H5* U 4 1H5* U 4 -9.569 -3.300 -7.667
37 H4* U 4 H4* U 4 -10.620 -4.475 -5.559
38 H3* U 4 H3* U 4 -8.119 -2.777 -5.752
39 H2* U 4 H2* U 4 -7.613 -3.146 -3.494
40 2HO* U 4 2HO* U 4 -10.391 -3.632 -3.296
41 H1* U 4 H1* U 4 -8.575 -5.747 -3.231
42 H3 U 4 H3 U 4 -4.210 -6.047 -2.190
43 H5 U 4 H5 U 4 -4.206 -5.269 -6.376
44 H6 U 4 H6 U 4 -6.615 -4.965 -6.235
45 1H5* G 5 2H5* G 5 -11.603 -1.641 -2.033
46 2H5* G 5 1H5* G 5 -11.186 0.081 -2.139
47 H4* G 5 H4* G 5 -11.362 -0.934 0.218
48 H3* G 5 H3* G 5 -9.123 0.752 -0.881
49 H2* G 5 H2* G 5 -7.749 0.415 1.010
50 2HO* G 5 2HO* G 5 -8.863 -0.835 2.858
51 H1* G 5 H1* G 5 -8.214 -2.220 1.453
52 H8 G 5 H8 G 5 -8.183 -1.333 -2.257
53 H1 G 5 H1 G 5 -2.377 -2.357 0.164
54 1H2 G 5 H21 G 5 -2.498 -2.579 2.364
55 2H2 G 5 H22 G 5 -4.010 -2.472 3.238
56 1H5* C 6 2H5* C 6 -8.762 1.015 3.388
57 2H5* C 6 1H5* C 6 -8.884 2.748 3.716
58 H4* C 6 H4* C 6 -6.769 1.497 4.506
59 H3* C 6 H3* C 6 -6.971 4.157 3.072
60 H2* C 6 H2* C 6 -4.692 4.193 2.693
61 2HO* C 6 2HO* C 6 -4.438 4.353 5.045
62 H1* C 6 H1* C 6 -4.246 1.392 3.474
63 1H4 C 6 H41 C 6 -0.929 2.240 -1.906
64 2H4 C 6 H42 C 6 -2.391 2.657 -2.774
65 H5 C 6 H5 C 6 -4.551 2.826 -1.717
66 H6 C 6 H6 C 6 -5.777 2.630 0.397
67 1H5* C 7 2H5* C 7 -4.843 4.957 7.397
68 2H5* C 7 1H5* C 7 -4.710 6.727 7.431
69 H4* C 7 H4* C 7 -2.532 5.220 7.449
70 H3* C 7 H3* C 7 -3.032 7.773 5.874
71 H2* C 7 H2* C 7 -0.871 7.608 4.969
72 2HO* C 7 2HO* C 7 -0.073 5.508 6.669
73 H1* C 7 H1* C 7 -0.745 4.825 4.776
74 1H4 C 7 H41 C 7 -1.612 7.108 -1.091
75 2H4 C 7 H42 C 7 -3.274 7.516 -0.728
76 H5 C 7 H5 C 7 -4.255 7.236 1.460
77 H6 C 7 H6 C 7 -3.847 6.508 3.766
78 1H5* U 8 2H5* U 8 0.875 7.315 8.450
79 2H5* U 8 1H5* U 8 1.508 8.946 8.737
80 H4* U 8 H4* U 8 3.042 7.087 7.657
81 H3* U 8 H3* U 8 2.818 10.024 6.904
82 H2* U 8 H2* U 8 4.425 9.695 5.187
83 2HO* U 8 2HO* U 8 6.001 8.482 6.094
84 H1* U 8 H1* U 8 3.501 7.301 4.246
85 H3 U 8 H3 U 8 2.702 10.620 1.214
86 H5 U 8 H5 U 8 -0.486 10.877 3.948
87 H6 U 8 H6 U 8 0.662 9.241 5.336
88 1H5* C 9 2H5* C 9 7.362 9.571 6.830
89 2H5* C 9 1H5* C 9 7.778 11.133 7.567
90 H4* C 9 H4* C 9 8.473 10.619 5.072
91 H3* C 9 H3* C 9 7.609 13.101 6.445
92 H2* C 9 H2* C 9 6.653 14.139 4.633
93 2HO* C 9 2HO* C 9 8.984 13.142 3.354
94 H1* C 9 H1* C 9 6.787 11.985 2.671
95 1H4 C 9 H41 C 9 0.905 14.421 2.450
96 2H4 C 9 H42 C 9 0.546 13.749 4.024
97 H5 C 9 H5 C 9 2.182 12.597 5.376
98 H6 C 9 H6 C 9 4.505 11.853 5.505
99 1H5* C 10 2H5* C 10 8.871 16.018 5.864
100 2H5* C 10 1H5* C 10 9.194 14.844 4.572
101 H4* C 10 H4* C 10 10.603 17.487 5.085
102 H3* C 10 H3* C 10 8.371 16.916 3.494
103 H2* C 10 H2* C 10 9.402 15.404 1.999
104 2HO* C 10 2HO* C 10 9.346 16.557 0.229
105 H1* C 10 H1* C 10 11.994 16.927 1.956
106 1H4 C 10 H41 C 10 13.724 11.392 -0.630
107 2H4 C 10 H42 C 10 12.947 10.491 0.653
108 H5 C 10 H5 C 10 11.701 11.534 2.432
109 H6 C 10 H6 C 10 10.928 13.671 3.364
110 1H5* C 11 2H5* C 11 9.580 18.731 0.940
111 2H5* C 11 1H5* C 11 9.439 20.414 0.392
112 H4* C 11 H4* C 11 8.845 18.785 -1.389
113 H3* C 11 H3* C 11 7.468 21.117 -0.791
114 H2* C 11 H2* C 11 5.673 20.141 0.415
115 2HO* C 11 2HO* C 11 3.964 19.659 -1.173
116 H1* C 11 H1* C 11 5.562 17.738 -1.404
117 1H4 C 11 H41 C 11 1.886 16.048 3.507
118 2H4 C 11 H42 C 11 3.248 16.179 4.598
119 H5 C 11 H5 C 11 5.413 16.976 3.917
120 H6 C 11 H6 C 11 6.747 17.818 2.039
121 1H5* G 12 2H5* G 12 7.321 18.133 -4.261
122 2H5* G 12 1H5* G 12 8.166 17.380 -2.894
123 H4* G 12 H4* G 12 9.128 17.314 -5.777
124 H3* G 12 H3* G 12 7.325 15.526 -4.174
125 H2* G 12 H2* G 12 8.504 13.578 -4.661
126 2HO* G 12 2HO* G 12 9.597 14.957 -6.921
127 H1* G 12 H1* G 12 11.100 14.640 -5.030
128 H8 G 12 H8 G 12 12.368 13.584 -3.072
129 H1 G 12 H1 G 12 7.237 13.374 0.706
130 1H2 G 12 H21 G 12 5.525 14.369 -0.274
131 2H2 G 12 H22 G 12 5.638 15.090 -1.865
132 1H5* A 13 2H5* A 13 6.889 11.895 -8.455
133 2H5* A 13 1H5* A 13 5.594 12.245 -7.293
134 H4* A 13 H4* A 13 8.202 10.798 -6.874
135 H3* A 13 H3* A 13 5.267 10.353 -6.280
136 H2* A 13 H2* A 13 5.795 9.171 -4.307
137 2HO* A 13 2HO* A 13 7.952 8.457 -3.889
138 H1* A 13 H1* A 13 7.859 10.741 -3.422
139 H8 A 13 H8 A 13 5.444 13.243 -4.609
140 1H6 A 13 H61 A 13 1.952 12.153 0.344
141 2H6 A 13 H62 A 13 2.226 13.228 -1.009
142 H2 A 13 H2 A 13 5.028 8.889 0.065
143 1H5* G 14 2H5* G 14 7.806 7.276 -6.362
144 2H5* G 14 1H5* G 14 7.582 5.521 -6.497
145 H4* G 14 H4* G 14 8.274 6.616 -4.196
146 H3* G 14 H3* G 14 7.062 4.162 -4.875
147 H2* G 14 H2* G 14 4.881 4.601 -4.155
148 2HO* G 14 2HO* G 14 5.540 3.160 -2.570
149 H1* G 14 H1* G 14 5.680 6.530 -2.007
150 H8 G 14 H8 G 14 3.928 7.312 -5.323
151 H1 G 14 H1 G 14 -0.015 6.823 -0.339
152 1H2 G 14 H21 G 14 1.101 6.117 1.435
153 2H2 G 14 H22 G 14 2.813 5.765 1.394
154 1H5* U 15 2H5* U 15 9.648 4.968 -0.948
155 2H5* U 15 1H5* U 15 11.037 4.072 -1.597
156 H4* U 15 H4* U 15 11.609 3.850 0.591
157 H3* U 15 H3* U 15 9.399 1.814 0.251
158 H2* U 15 H2* U 15 9.727 1.226 2.540
159 2HO* U 15 2HO* U 15 12.211 2.123 2.060
160 H1* U 15 H1* U 15 9.815 3.794 3.445
161 H3 U 15 H3 U 15 5.768 2.427 4.840
162 H5 U 15 H5 U 15 5.256 2.997 0.696
163 H6 U 15 H6 U 15 7.642 3.372 0.515
164 1H5* G 16 2H5* G 16 9.338 -1.765 -1.071
165 2H5* G 16 1H5* G 16 8.132 -0.820 -1.967
166 H4* G 16 H4* G 16 8.395 -1.092 1.071
167 H3* G 16 H3* G 16 6.442 -2.128 -1.092
168 H2* G 16 H2* G 16 4.612 -1.798 0.339
169 2HO* G 16 2HO* G 16 4.760 -1.878 2.529
170 H1* G 16 H1* G 16 5.518 0.496 1.709
171 H8 G 16 H8 G 16 5.806 0.777 -2.081
172 H1 G 16 H1 G 16 -0.083 1.904 0.111
173 1H2 G 16 H21 G 16 -0.212 1.370 2.257
174 2H2 G 16 H22 G 16 1.153 0.740 3.153
175 1H5* C 17 2H5* C 17 5.970 -3.354 3.375
176 2H5* C 17 1H5* C 17 5.893 -5.123 3.258
177 H4* C 17 H4* C 17 4.308 -4.220 4.940
178 H3* C 17 H3* C 17 3.285 -5.670 2.479
179 H2* C 17 H2* C 17 1.059 -5.385 3.181
180 2HO* C 17 2HO* C 17 0.582 -4.759 5.379
181 H1* C 17 H1* C 17 1.316 -2.827 4.321
182 1H4 C 17 H41 C 17 -1.502 -2.184 -1.356
183 2H4 C 17 H42 C 17 0.040 -2.349 -2.162
184 H5 C 17 H5 C 17 2.081 -2.842 -1.008
185 H6 C 17 H6 C 17 3.111 -3.284 1.175
186 1H5* A 18 2H5* A 18 1.164 -6.883 6.273
187 2H5* A 18 1H5* A 18 1.462 -8.631 6.347
188 H4* A 18 H4* A 18 -0.852 -8.179 6.952
189 H3* A 18 H3* A 18 -0.255 -9.624 4.381
190 H2* A 18 H2* A 18 -2.512 -9.603 3.695
191 2HO* A 18 2HO* A 18 -4.042 -9.853 5.134
192 H1* A 18 H1* A 18 -3.218 -7.099 4.481
193 H8 A 18 H8 A 18 0.349 -7.454 3.138
194 1H6 A 18 H61 A 18 -2.024 -6.223 -2.421
195 2H6 A 18 H62 A 18 -0.546 -6.472 -1.520
196 H2 A 18 H2 A 18 -5.420 -6.670 0.490
197 1H5* U 19 2H5* U 19 -3.632 -11.980 6.694
198 2H5* U 19 1H5* U 19 -3.626 -13.583 5.931
199 H4* U 19 H4* U 19 -5.755 -12.024 5.746
200 H3* U 19 H3* U 19 -4.474 -13.772 3.628
201 H2* U 19 H2* U 19 -6.047 -13.052 2.023
202 2HO* U 19 2HO* U 19 -7.747 -13.147 3.890
203 H1* U 19 H1* U 19 -6.141 -10.367 2.757
204 H3 U 19 H3 U 19 -4.140 -10.592 -1.329
205 H5 U 19 H5 U 19 -1.134 -11.846 1.416
206 H6 U 19 H6 U 19 -2.824 -11.794 3.157
207 1H5* C 20 2H5* C 20 -9.062 -14.834 3.873
208 2H5* C 20 1H5* C 20 -9.124 -16.490 3.236
209 H4* C 20 H4* C 20 -10.477 -14.556 2.054
210 H3* C 20 H3* C 20 -8.880 -16.809 0.805
211 H2* C 20 H2* C 20 -9.326 -15.976 -1.361
212 2HO* C 20 2HO* C 20 -11.644 -15.373 -0.354
213 H1* C 20 H1* C 20 -9.106 -13.285 -0.822
214 1H4 C 20 H41 C 20 -3.618 -15.325 -3.353
215 2H4 C 20 H42 C 20 -3.020 -15.694 -1.751
216 H5 C 20 H5 C 20 -4.377 -15.530 0.234
217 H6 C 20 H6 C 20 -6.602 -14.974 1.109
218 1H5* C 21 2H5* C 21 -11.862 -15.775 -2.078
219 2H5* C 21 1H5* C 21 -12.879 -17.230 -2.128
220 H4* C 21 H4* C 21 -12.211 -16.565 -4.402
221 H3* C 21 H3* C 21 -11.018 -19.097 -3.244
222 H2* C 21 H2* C 21 -9.810 -19.466 -5.172
223 2HO* C 21 2HO* C 21 -10.506 -18.474 -7.209
224 H1* C 21 H1* C 21 -9.701 -16.705 -6.032
225 1H4 C 21 H41 C 21 -3.668 -18.480 -5.110
226 2H4 C 21 H42 C 21 -3.956 -18.722 -3.402
227 H5 C 21 H5 C 21 -6.124 -18.468 -2.380
228 H6 C 21 H6 C 21 -8.481 -17.930 -2.775
229 H3T C 21 H3T C 21 -12.757 -19.960 -4.171
Start of MODEL 7
1 1H5* G 1 2H5* G 1 1.492 -16.661 -13.526
2 2H5* G 1 1H5* G 1 1.329 -15.176 -14.485
3 H4* G 1 H4* G 1 -0.659 -16.142 -15.084
4 H3* G 1 H3* G 1 -1.127 -14.720 -12.459
5 H2* G 1 H2* G 1 -3.289 -15.643 -12.265
6 2HO* G 1 2HO* G 1 -3.030 -16.373 -15.017
7 H1* G 1 H1* G 1 -2.775 -18.158 -13.195
8 H8 G 1 H8 G 1 0.116 -17.883 -11.069
9 H1 G 1 H1 G 1 -5.159 -17.616 -7.497
10 1H2 G 1 H21 G 1 -6.924 -17.209 -8.777
11 2H2 G 1 H22 G 1 -6.802 -17.002 -10.510
12 H5T G 1 H5T G 1 1.199 -15.570 -11.746
13 1H5* G 2 2H5* G 2 -4.842 -14.881 -13.774
14 2H5* G 2 1H5* G 2 -5.056 -13.358 -14.657
15 H4* G 2 H4* G 2 -7.081 -13.482 -13.541
16 H3* G 2 H3* G 2 -5.064 -11.939 -11.909
17 H2* G 2 H2* G 2 -6.416 -11.897 -10.008
18 2HO* G 2 2HO* G 2 -8.799 -12.737 -11.142
19 H1* G 2 H1* G 2 -7.842 -14.285 -10.353
20 H8 G 2 H8 G 2 -4.066 -14.694 -10.509
21 H1 G 2 H1 G 2 -6.349 -14.474 -4.563
22 1H2 G 2 H21 G 2 -8.489 -13.884 -4.593
23 2H2 G 2 H22 G 2 -9.349 -13.545 -6.078
24 1H5* A 3 2H5* A 3 -8.410 -10.445 -10.989
25 2H5* A 3 1H5* A 3 -8.734 -8.757 -11.403
26 H4* A 3 H4* A 3 -9.312 -9.073 -9.102
27 H3* A 3 H3* A 3 -6.816 -7.496 -9.745
28 H2* A 3 H2* A 3 -6.197 -7.458 -7.517
29 2HO* A 3 2HO* A 3 -8.496 -7.667 -6.155
30 H1* A 3 H1* A 3 -8.153 -9.489 -6.660
31 H8 A 3 H8 A 3 -4.747 -9.984 -8.362
32 1H6 A 3 H61 A 3 -2.500 -11.194 -2.760
33 2H6 A 3 H62 A 3 -2.133 -11.122 -4.468
34 H2 A 3 H2 A 3 -6.817 -10.026 -2.306
35 1H5* U 4 2H5* U 4 -9.881 -6.321 -7.093
36 2H5* U 4 1H5* U 4 -10.604 -4.716 -7.321
37 H4* U 4 H4* U 4 -10.716 -5.036 -5.000
38 H3* U 4 H3* U 4 -8.280 -3.418 -5.805
39 H2* U 4 H2* U 4 -7.545 -3.320 -3.577
40 2HO* U 4 2HO* U 4 -9.992 -2.901 -3.027
41 H1* U 4 H1* U 4 -8.428 -5.826 -2.718
42 H3 U 4 H3 U 4 -4.039 -6.307 -2.077
43 H5 U 4 H5 U 4 -4.312 -5.561 -6.258
44 H6 U 4 H6 U 4 -6.706 -5.247 -5.960
45 1H5* G 5 2H5* G 5 -11.607 -1.546 -2.380
46 2H5* G 5 1H5* G 5 -11.077 0.147 -2.463
47 H4* G 5 H4* G 5 -11.402 -0.923 -0.120
48 H3* G 5 H3* G 5 -9.137 0.784 -1.114
49 H2* G 5 H2* G 5 -7.793 0.394 0.781
50 2HO* G 5 2HO* G 5 -10.072 0.456 2.049
51 H1* G 5 H1* G 5 -8.290 -2.244 1.191
52 H8 G 5 H8 G 5 -8.162 -1.314 -2.506
53 H1 G 5 H1 G 5 -2.422 -2.393 0.049
54 1H2 G 5 H21 G 5 -2.604 -2.639 2.246
55 2H2 G 5 H22 G 5 -4.137 -2.536 3.080
56 1H5* C 6 2H5* C 6 -8.842 1.039 3.214
57 2H5* C 6 1H5* C 6 -8.963 2.780 3.498
58 H4* C 6 H4* C 6 -6.847 1.524 4.310
59 H3* C 6 H3* C 6 -7.045 4.180 2.862
60 H2* C 6 H2* C 6 -4.756 4.221 2.530
61 2HO* C 6 2HO* C 6 -4.730 4.149 5.031
62 H1* C 6 H1* C 6 -4.327 1.414 3.289
63 1H4 C 6 H41 C 6 -0.965 2.315 -2.054
64 2H4 C 6 H42 C 6 -2.425 2.695 -2.939
65 H5 C 6 H5 C 6 -4.600 2.828 -1.905
66 H6 C 6 H6 C 6 -5.843 2.622 0.200
67 1H5* C 7 2H5* C 7 -4.876 4.895 7.191
68 2H5* C 7 1H5* C 7 -4.718 6.663 7.250
69 H4* C 7 H4* C 7 -2.563 5.119 7.262
70 H3* C 7 H3* C 7 -3.013 7.708 5.731
71 H2* C 7 H2* C 7 -0.851 7.526 4.824
72 2HO* C 7 2HO* C 7 -0.161 6.772 7.153
73 H1* C 7 H1* C 7 -0.770 4.749 4.574
74 1H4 C 7 H41 C 7 -1.612 7.176 -1.238
75 2H4 C 7 H42 C 7 -3.279 7.563 -0.874
76 H5 C 7 H5 C 7 -4.268 7.226 1.303
77 H6 C 7 H6 C 7 -3.866 6.450 3.594
78 1H5* U 8 2H5* U 8 0.826 7.422 8.487
79 2H5* U 8 1H5* U 8 1.391 9.081 8.758
80 H4* U 8 H4* U 8 3.022 7.253 7.770
81 H3* U 8 H3* U 8 2.722 10.167 6.959
82 H2* U 8 H2* U 8 4.387 9.870 5.293
83 2HO* U 8 2HO* U 8 5.642 8.467 6.887
84 H1* U 8 H1* U 8 3.576 7.433 4.362
85 H3 U 8 H3 U 8 2.722 10.683 1.260
86 H5 U 8 H5 U 8 -0.539 10.845 3.920
87 H6 U 8 H6 U 8 0.641 9.273 5.354
88 1H5* C 9 2H5* C 9 7.314 9.820 6.966
89 2H5* C 9 1H5* C 9 7.649 11.406 7.693
90 H4* C 9 H4* C 9 8.434 10.887 5.227
91 H3* C 9 H3* C 9 7.457 13.348 6.552
92 H2* C 9 H2* C 9 6.471 14.321 4.719
93 2HO* C 9 2HO* C 9 8.055 13.559 2.672
94 H1* C 9 H1* C 9 6.771 12.169 2.767
95 1H4 C 9 H41 C 9 0.780 14.266 2.283
96 2H4 C 9 H42 C 9 0.411 13.662 3.883
97 H5 C 9 H5 C 9 2.061 12.665 5.334
98 H6 C 9 H6 C 9 4.412 12.036 5.559
99 1H5* C 10 2H5* C 10 8.695 16.342 6.031
100 2H5* C 10 1H5* C 10 9.028 15.126 4.779
101 H4* C 10 H4* C 10 10.407 17.788 5.250
102 H3* C 10 H3* C 10 8.339 17.058 3.501
103 H2* C 10 H2* C 10 9.539 15.520 2.174
104 2HO* C 10 2HO* C 10 10.034 16.554 0.316
105 H1* C 10 H1* C 10 12.095 17.096 2.307
106 1H4 C 10 H41 C 10 14.155 11.479 0.185
107 2H4 C 10 H42 C 10 13.255 10.625 1.418
108 H5 C 10 H5 C 10 11.818 11.724 3.006
109 H6 C 10 H6 C 10 10.929 13.889 3.756
110 1H5* C 11 2H5* C 11 9.746 18.854 0.975
111 2H5* C 11 1H5* C 11 9.551 20.504 0.348
112 H4* C 11 H4* C 11 9.219 18.714 -1.383
113 H3* C 11 H3* C 11 7.819 21.064 -1.177
114 H2* C 11 H2* C 11 6.005 20.185 0.125
115 2HO* C 11 2HO* C 11 4.808 19.307 -2.208
116 H1* C 11 H1* C 11 5.902 17.721 -1.624
117 1H4 C 11 H41 C 11 1.860 16.229 3.057
118 2H4 C 11 H42 C 11 3.138 16.381 4.240
119 H5 C 11 H5 C 11 5.358 17.134 3.697
120 H6 C 11 H6 C 11 6.838 17.902 1.899
121 1H5* G 12 2H5* G 12 8.972 17.188 -2.915
122 2H5* G 12 1H5* G 12 10.586 17.836 -3.263
123 H4* G 12 H4* G 12 10.238 16.694 -5.609
124 H3* G 12 H3* G 12 7.965 15.612 -3.997
125 H2* G 12 H2* G 12 8.532 13.384 -4.196
126 2HO* G 12 2HO* G 12 8.477 13.132 -6.364
127 H1* G 12 H1* G 12 11.317 13.550 -4.689
128 H8 G 12 H8 G 12 12.527 12.876 -2.439
129 H1 G 12 H1 G 12 7.064 13.170 0.826
130 1H2 G 12 H21 G 12 5.488 14.112 -0.399
131 2H2 G 12 H22 G 12 5.772 14.675 -2.031
132 1H5* A 13 2H5* A 13 6.860 12.002 -8.440
133 2H5* A 13 1H5* A 13 5.706 12.591 -7.227
134 H4* A 13 H4* A 13 8.272 11.038 -6.779
135 H3* A 13 H3* A 13 5.313 10.596 -6.293
136 H2* A 13 H2* A 13 5.790 9.426 -4.299
137 2HO* A 13 2HO* A 13 8.500 9.366 -4.300
138 H1* A 13 H1* A 13 7.857 11.000 -3.391
139 H8 A 13 H8 A 13 5.381 13.465 -4.550
140 1H6 A 13 H61 A 13 1.919 12.231 0.391
141 2H6 A 13 H62 A 13 2.162 13.324 -0.953
142 H2 A 13 H2 A 13 5.090 9.060 0.087
143 1H5* G 14 2H5* G 14 7.888 7.496 -6.406
144 2H5* G 14 1H5* G 14 7.690 5.738 -6.526
145 H4* G 14 H4* G 14 8.318 6.876 -4.223
146 H3* G 14 H3* G 14 7.178 4.383 -4.893
147 H2* G 14 H2* G 14 4.972 4.788 -4.229
148 2HO* G 14 2HO* G 14 5.023 3.566 -2.514
149 H1* G 14 H1* G 14 5.691 6.754 -2.084
150 H8 G 14 H8 G 14 3.979 7.516 -5.416
151 H1 G 14 H1 G 14 -0.031 6.860 -0.507
152 1H2 G 14 H21 G 14 1.070 6.145 1.271
153 2H2 G 14 H22 G 14 2.789 5.825 1.251
154 1H5* U 15 2H5* U 15 9.836 5.219 -0.895
155 2H5* U 15 1H5* U 15 11.038 4.054 -1.487
156 H4* U 15 H4* U 15 11.574 4.059 0.756
157 H3* U 15 H3* U 15 9.366 2.029 0.382
158 H2* U 15 H2* U 15 9.579 1.497 2.699
159 2HO* U 15 2HO* U 15 11.580 3.329 3.264
160 H1* U 15 H1* U 15 9.644 4.080 3.553
161 H3 U 15 H3 U 15 5.513 2.755 4.745
162 H5 U 15 H5 U 15 5.228 3.310 0.577
163 H6 U 15 H6 U 15 7.625 3.653 0.522
164 1H5* G 16 2H5* G 16 9.329 -1.562 -0.891
165 2H5* G 16 1H5* G 16 8.177 -0.610 -1.847
166 H4* G 16 H4* G 16 8.326 -0.791 1.205
167 H3* G 16 H3* G 16 6.465 -1.945 -0.981
168 H2* G 16 H2* G 16 4.578 -1.561 0.352
169 2HO* G 16 2HO* G 16 5.599 -0.816 2.742
170 H1* G 16 H1* G 16 5.414 0.792 1.667
171 H8 G 16 H8 G 16 5.862 0.989 -2.106
172 H1 G 16 H1 G 16 -0.145 2.016 -0.203
173 1H2 G 16 H21 G 16 -0.358 1.510 1.943
174 2H2 G 16 H22 G 16 0.979 0.925 2.909
175 1H5* C 17 2H5* C 17 5.708 -2.917 3.370
176 2H5* C 17 1H5* C 17 5.969 -4.672 3.403
177 H4* C 17 H4* C 17 4.199 -4.140 4.961
178 H3* C 17 H3* C 17 3.383 -5.513 2.383
179 H2* C 17 H2* C 17 1.120 -5.485 3.026
180 2HO* C 17 2HO* C 17 0.615 -5.839 5.051
181 H1* C 17 H1* C 17 1.088 -2.988 4.307
182 1H4 C 17 H41 C 17 -1.504 -2.172 -1.447
183 2H4 C 17 H42 C 17 0.071 -2.254 -2.203
184 H5 C 17 H5 C 17 2.092 -2.723 -0.989
185 H6 C 17 H6 C 17 3.052 -3.215 1.212
186 1H5* A 18 2H5* A 18 1.605 -7.373 6.308
187 2H5* A 18 1H5* A 18 1.762 -9.118 6.017
188 H4* A 18 H4* A 18 -0.482 -8.454 6.900
189 H3* A 18 H3* A 18 -0.090 -9.871 4.274
190 H2* A 18 H2* A 18 -2.377 -9.715 3.712
191 2HO* A 18 2HO* A 18 -3.974 -9.341 5.232
192 H1* A 18 H1* A 18 -2.887 -7.187 4.562
193 H8 A 18 H8 A 18 0.596 -7.621 3.072
194 1H6 A 18 H61 A 18 -1.965 -6.435 -2.411
195 2H6 A 18 H62 A 18 -0.459 -6.686 -1.558
196 H2 A 18 H2 A 18 -5.262 -6.812 0.626
197 1H5* U 19 2H5* U 19 -3.238 -12.344 6.662
198 2H5* U 19 1H5* U 19 -3.323 -13.913 5.837
199 H4* U 19 H4* U 19 -5.395 -12.274 5.790
200 H3* U 19 H3* U 19 -4.250 -13.967 3.553
201 H2* U 19 H2* U 19 -5.841 -13.117 2.035
202 2HO* U 19 2HO* U 19 -7.734 -12.109 2.706
203 H1* U 19 H1* U 19 -5.837 -10.469 2.911
204 H3 U 19 H3 U 19 -4.051 -10.699 -1.302
205 H5 U 19 H5 U 19 -0.891 -11.824 1.323
206 H6 U 19 H6 U 19 -2.509 -11.827 3.131
207 1H5* C 20 2H5* C 20 -8.816 -15.037 3.952
208 2H5* C 20 1H5* C 20 -8.914 -16.673 3.270
209 H4* C 20 H4* C 20 -10.293 -14.697 2.194
210 H3* C 20 H3* C 20 -8.749 -16.916 0.818
211 H2* C 20 H2* C 20 -9.282 -16.015 -1.302
212 2HO* C 20 2HO* C 20 -10.896 -14.281 -1.438
213 H1* C 20 H1* C 20 -9.026 -13.343 -0.684
214 1H4 C 20 H41 C 20 -3.668 -15.350 -3.515
215 2H4 C 20 H42 C 20 -2.983 -15.701 -1.944
216 H5 C 20 H5 C 20 -4.241 -15.544 0.106
217 H6 C 20 H6 C 20 -6.424 -15.017 1.092
218 1H5* C 21 2H5* C 21 -11.593 -15.843 -1.974
219 2H5* C 21 1H5* C 21 -12.730 -17.206 -1.978
220 H4* C 21 H4* C 21 -12.156 -16.748 -4.273
221 H3* C 21 H3* C 21 -10.782 -19.161 -3.065
222 H2* C 21 H2* C 21 -9.650 -19.564 -5.035
223 2HO* C 21 2HO* C 21 -10.499 -19.143 -7.024
224 H1* C 21 H1* C 21 -9.688 -16.846 -6.012
225 1H4 C 21 H41 C 21 -3.547 -18.236 -5.177
226 2H4 C 21 H42 C 21 -3.793 -18.509 -3.466
227 H5 C 21 H5 C 21 -5.952 -18.391 -2.406
228 H6 C 21 H6 C 21 -8.346 -17.983 -2.757
229 H3T C 21 H3T C 21 -12.650 -19.235 -5.149
Start of MODEL 8
1 1H5* G 1 2H5* G 1 1.742 -16.513 -14.208
2 2H5* G 1 1H5* G 1 1.594 -14.953 -15.044
3 H4* G 1 H4* G 1 -0.508 -15.739 -15.498
4 H3* G 1 H3* G 1 -0.615 -14.490 -12.744
5 H2* G 1 H2* G 1 -2.818 -15.269 -12.413
6 2HO* G 1 2HO* G 1 -2.832 -15.272 -15.203
7 H1* G 1 H1* G 1 -2.575 -17.740 -13.554
8 H8 G 1 H8 G 1 0.531 -17.637 -11.642
9 H1 G 1 H1 G 1 -4.484 -17.734 -7.705
10 1H2 G 1 H21 G 1 -6.340 -17.269 -8.828
11 2H2 G 1 H22 G 1 -6.340 -16.934 -10.545
12 H5T G 1 H5T G 1 2.397 -14.956 -12.797
13 1H5* G 2 2H5* G 2 -4.463 -14.435 -13.987
14 2H5* G 2 1H5* G 2 -4.647 -12.820 -14.700
15 H4* G 2 H4* G 2 -6.681 -13.105 -13.589
16 H3* G 2 H3* G 2 -4.675 -11.572 -11.937
17 H2* G 2 H2* G 2 -5.978 -11.650 -10.007
18 2HO* G 2 2HO* G 2 -8.364 -12.263 -10.381
19 H1* G 2 H1* G 2 -7.387 -14.041 -10.439
20 H8 G 2 H8 G 2 -3.610 -14.395 -10.629
21 H1 G 2 H1 G 2 -5.876 -14.488 -4.673
22 1H2 G 2 H21 G 2 -8.026 -13.914 -4.675
23 2H2 G 2 H22 G 2 -8.889 -13.510 -6.141
24 1H5* A 3 2H5* A 3 -7.922 -10.068 -11.182
25 2H5* A 3 1H5* A 3 -8.438 -8.431 -11.610
26 H4* A 3 H4* A 3 -8.958 -8.640 -9.330
27 H3* A 3 H3* A 3 -6.416 -7.123 -9.929
28 H2* A 3 H2* A 3 -5.832 -7.104 -7.689
29 2HO* A 3 2HO* A 3 -8.333 -7.258 -6.538
30 H1* A 3 H1* A 3 -7.865 -9.084 -6.875
31 H8 A 3 H8 A 3 -4.392 -9.591 -8.468
32 1H6 A 3 H61 A 3 -2.421 -11.092 -2.843
33 2H6 A 3 H62 A 3 -1.978 -10.948 -4.527
34 H2 A 3 H2 A 3 -6.726 -9.858 -2.514
35 1H5* U 4 2H5* U 4 -10.172 -5.064 -7.571
36 2H5* U 4 1H5* U 4 -9.823 -3.328 -7.451
37 H4* U 4 H4* U 4 -10.651 -4.523 -5.325
38 H3* U 4 H3* U 4 -8.220 -2.729 -5.546
39 H2* U 4 H2* U 4 -7.652 -3.104 -3.303
40 2HO* U 4 2HO* U 4 -10.220 -2.940 -2.937
41 H1* U 4 H1* U 4 -8.518 -5.742 -3.052
42 H3 U 4 H3 U 4 -4.133 -5.954 -2.106
43 H5 U 4 H5 U 4 -4.227 -5.060 -6.268
44 H6 U 4 H6 U 4 -6.639 -4.825 -6.076
45 1H5* G 5 2H5* G 5 -11.765 -1.565 -1.736
46 2H5* G 5 1H5* G 5 -11.257 0.130 -1.870
47 H4* G 5 H4* G 5 -11.441 -0.915 0.502
48 H3* G 5 H3* G 5 -9.247 0.802 -0.633
49 H2* G 5 H2* G 5 -7.825 0.468 1.218
50 2HO* G 5 2HO* G 5 -10.086 -0.633 2.590
51 H1* G 5 H1* G 5 -8.275 -2.172 1.686
52 H8 G 5 H8 G 5 -8.281 -1.323 -2.028
53 H1 G 5 H1 G 5 -2.444 -2.261 0.351
54 1H2 G 5 H21 G 5 -2.541 -2.451 2.556
55 2H2 G 5 H22 G 5 -4.045 -2.345 3.443
56 1H5* C 6 2H5* C 6 -8.862 1.095 3.669
57 2H5* C 6 1H5* C 6 -8.981 2.833 3.972
58 H4* C 6 H4* C 6 -6.857 1.572 4.753
59 H3* C 6 H3* C 6 -7.075 4.241 3.333
60 H2* C 6 H2* C 6 -4.797 4.287 2.958
61 2HO* C 6 2HO* C 6 -4.595 4.370 5.353
62 H1* C 6 H1* C 6 -4.344 1.478 3.699
63 1H4 C 6 H41 C 6 -1.074 2.382 -1.700
64 2H4 C 6 H42 C 6 -2.545 2.791 -2.555
65 H5 C 6 H5 C 6 -4.698 2.944 -1.479
66 H6 C 6 H6 C 6 -5.904 2.732 0.645
67 1H5* C 7 2H5* C 7 -4.927 5.088 7.547
68 2H5* C 7 1H5* C 7 -4.848 6.860 7.622
69 H4* C 7 H4* C 7 -2.627 5.423 7.467
70 H3* C 7 H3* C 7 -3.298 7.999 5.996
71 H2* C 7 H2* C 7 -1.211 7.918 4.938
72 2HO* C 7 2HO* C 7 0.077 5.922 6.219
73 H1* C 7 H1* C 7 -0.952 5.114 4.810
74 1H4 C 7 H41 C 7 -1.858 7.183 -1.123
75 2H4 C 7 H42 C 7 -3.505 7.649 -0.758
76 H5 C 7 H5 C 7 -4.471 7.468 1.447
77 H6 C 7 H6 C 7 -4.059 6.807 3.773
78 1H5* U 8 2H5* U 8 0.596 7.686 8.584
79 2H5* U 8 1H5* U 8 1.284 9.298 8.848
80 H4* U 8 H4* U 8 2.746 7.374 7.783
81 H3* U 8 H3* U 8 2.608 10.310 7.024
82 H2* U 8 H2* U 8 4.164 9.944 5.273
83 2HO* U 8 2HO* U 8 5.738 8.577 5.607
84 H1* U 8 H1* U 8 3.184 7.554 4.364
85 H3 U 8 H3 U 8 2.430 10.864 1.307
86 H5 U 8 H5 U 8 -0.727 11.210 4.069
87 H6 U 8 H6 U 8 0.399 9.562 5.459
88 1H5* C 9 2H5* C 9 7.220 9.617 6.802
89 2H5* C 9 1H5* C 9 7.663 11.162 7.557
90 H4* C 9 H4* C 9 8.353 10.665 5.061
91 H3* C 9 H3* C 9 7.616 13.120 6.498
92 H2* C 9 H2* C 9 6.430 14.160 4.831
93 2HO* C 9 2HO* C 9 8.132 13.444 2.744
94 H1* C 9 H1* C 9 6.703 12.144 2.706
95 1H4 C 9 H41 C 9 0.722 14.260 2.302
96 2H4 C 9 H42 C 9 0.388 13.750 3.940
97 H5 C 9 H5 C 9 2.058 12.790 5.393
98 H6 C 9 H6 C 9 4.398 12.107 5.583
99 1H5* C 10 2H5* C 10 8.809 16.050 5.710
100 2H5* C 10 1H5* C 10 9.172 14.784 4.519
101 H4* C 10 H4* C 10 10.605 17.426 4.957
102 H3* C 10 H3* C 10 8.540 16.751 3.190
103 H2* C 10 H2* C 10 9.693 15.094 1.955
104 2HO* C 10 2HO* C 10 10.543 16.091 0.081
105 H1* C 10 H1* C 10 12.298 16.595 2.046
106 1H4 C 10 H41 C 10 14.273 10.869 0.162
107 2H4 C 10 H42 C 10 13.294 10.070 1.372
108 H5 C 10 H5 C 10 11.827 11.250 2.873
109 H6 C 10 H6 C 10 10.977 13.460 3.537
110 1H5* C 11 2H5* C 11 10.015 18.238 0.634
111 2H5* C 11 1H5* C 11 10.158 19.880 -0.024
112 H4* C 11 H4* C 11 9.593 18.257 -1.796
113 H3* C 11 H3* C 11 8.379 20.709 -1.471
114 H2* C 11 H2* C 11 6.435 19.946 -0.324
115 2HO* C 11 2HO* C 11 5.813 19.481 -3.080
116 H1* C 11 H1* C 11 6.219 17.515 -2.096
117 1H4 C 11 H41 C 11 2.013 16.266 2.509
118 2H4 C 11 H42 C 11 3.270 16.356 3.723
119 H5 C 11 H5 C 11 5.544 16.978 3.223
120 H6 C 11 H6 C 11 7.103 17.646 1.452
121 1H5* G 12 2H5* G 12 7.932 17.554 -4.849
122 2H5* G 12 1H5* G 12 8.670 16.985 -3.338
123 H4* G 12 H4* G 12 9.587 16.207 -6.135
124 H3* G 12 H3* G 12 7.611 15.010 -4.213
125 H2* G 12 H2* G 12 8.542 12.879 -4.290
126 2HO* G 12 2HO* G 12 8.964 12.086 -6.197
127 H1* G 12 H1* G 12 11.239 13.527 -4.848
128 H8 G 12 H8 G 12 12.505 13.068 -2.613
129 H1 G 12 H1 G 12 7.136 13.286 0.815
130 1H2 G 12 H21 G 12 5.461 14.014 -0.434
131 2H2 G 12 H22 G 12 5.662 14.449 -2.118
132 1H5* A 13 2H5* A 13 6.920 12.876 -7.764
133 2H5* A 13 1H5* A 13 5.419 11.928 -7.734
134 H4* A 13 H4* A 13 7.779 10.930 -6.898
135 H3* A 13 H3* A 13 4.927 10.397 -6.117
136 H2* A 13 H2* A 13 5.512 9.199 -4.175
137 2HO* A 13 2HO* A 13 8.236 9.183 -5.027
138 H1* A 13 H1* A 13 7.569 10.715 -3.277
139 H8 A 13 H8 A 13 5.246 13.274 -4.573
140 1H6 A 13 H61 A 13 1.678 12.406 0.375
141 2H6 A 13 H62 A 13 1.990 13.440 -1.002
142 H2 A 13 H2 A 13 4.668 9.059 0.206
143 1H5* G 14 2H5* G 14 7.509 7.319 -6.375
144 2H5* G 14 1H5* G 14 7.284 5.567 -6.538
145 H4* G 14 H4* G 14 8.023 6.628 -4.230
146 H3* G 14 H3* G 14 6.855 4.168 -4.916
147 H2* G 14 H2* G 14 4.655 4.584 -4.232
148 2HO* G 14 2HO* G 14 4.400 3.974 -2.067
149 H1* G 14 H1* G 14 5.404 6.464 -2.024
150 H8 G 14 H8 G 14 3.688 7.259 -5.366
151 H1 G 14 H1 G 14 -0.281 6.815 -0.401
152 1H2 G 14 H21 G 14 0.822 6.120 1.382
153 2H2 G 14 H22 G 14 2.533 5.762 1.354
154 1H5* U 15 2H5* U 15 9.506 5.023 -1.063
155 2H5* U 15 1H5* U 15 10.863 4.036 -1.645
156 H4* U 15 H4* U 15 11.394 3.967 0.573
157 H3* U 15 H3* U 15 9.208 1.898 0.276
158 H2* U 15 H2* U 15 9.509 1.408 2.595
159 2HO* U 15 2HO* U 15 11.271 3.033 3.539
160 H1* U 15 H1* U 15 9.512 4.009 3.390
161 H3 U 15 H3 U 15 5.408 2.745 4.686
162 H5 U 15 H5 U 15 5.098 2.906 0.486
163 H6 U 15 H6 U 15 7.484 3.313 0.388
164 1H5* G 16 2H5* G 16 9.188 -1.702 -1.029
165 2H5* G 16 1H5* G 16 7.993 -0.744 -1.926
166 H4* G 16 H4* G 16 8.229 -1.029 1.112
167 H3* G 16 H3* G 16 6.315 -2.094 -1.069
168 H2* G 16 H2* G 16 4.455 -1.752 0.309
169 2HO* G 16 2HO* G 16 4.610 -2.379 2.316
170 H1* G 16 H1* G 16 5.350 0.518 1.745
171 H8 G 16 H8 G 16 5.615 0.827 -2.053
172 H1 G 16 H1 G 16 -0.219 2.065 0.228
173 1H2 G 16 H21 G 16 -0.329 1.517 2.371
174 2H2 G 16 H22 G 16 1.034 0.852 3.242
175 1H5* C 17 2H5* C 17 5.903 -3.317 3.410
176 2H5* C 17 1H5* C 17 5.852 -5.088 3.312
177 H4* C 17 H4* C 17 4.297 -4.196 5.029
178 H3* C 17 H3* C 17 3.251 -5.698 2.613
179 H2* C 17 H2* C 17 1.030 -5.419 3.319
180 2HO* C 17 2HO* C 17 0.469 -5.087 5.441
181 H1* C 17 H1* C 17 1.261 -2.852 4.446
182 1H4 C 17 H41 C 17 -1.607 -2.241 -1.203
183 2H4 C 17 H42 C 17 -0.081 -2.444 -2.031
184 H5 C 17 H5 C 17 1.972 -2.949 -0.897
185 H6 C 17 H6 C 17 3.025 -3.370 1.279
186 1H5* A 18 2H5* A 18 0.920 -6.648 6.155
187 2H5* A 18 1H5* A 18 1.434 -8.307 6.519
188 H4* A 18 H4* A 18 -0.896 -8.286 6.940
189 H3* A 18 H3* A 18 -0.097 -9.543 4.324
190 H2* A 18 H2* A 18 -2.339 -9.787 3.617
191 2HO* A 18 2HO* A 18 -3.228 -9.045 6.229
192 H1* A 18 H1* A 18 -3.338 -7.407 4.445
193 H8 A 18 H8 A 18 0.287 -7.478 3.157
194 1H6 A 18 H61 A 18 -2.060 -6.046 -2.358
195 2H6 A 18 H62 A 18 -0.587 -6.291 -1.447
196 H2 A 18 H2 A 18 -5.477 -6.753 0.476
197 1H5* U 19 2H5* U 19 -3.293 -12.212 6.509
198 2H5* U 19 1H5* U 19 -3.169 -13.793 5.710
199 H4* U 19 H4* U 19 -5.400 -12.384 5.535
200 H3* U 19 H3* U 19 -3.976 -13.981 3.388
201 H2* U 19 H2* U 19 -5.576 -13.332 1.785
202 2HO* U 19 2HO* U 19 -7.353 -13.722 3.370
203 H1* U 19 H1* U 19 -5.912 -10.688 2.621
204 H3 U 19 H3 U 19 -3.948 -10.522 -1.476
205 H5 U 19 H5 U 19 -0.827 -11.750 1.154
206 H6 U 19 H6 U 19 -2.490 -11.903 2.915
207 1H5* C 20 2H5* C 20 -8.351 -15.532 3.764
208 2H5* C 20 1H5* C 20 -8.390 -17.129 2.991
209 H4* C 20 H4* C 20 -9.830 -15.140 2.019
210 H3* C 20 H3* C 20 -8.214 -17.229 0.528
211 H2* C 20 H2* C 20 -8.774 -16.226 -1.540
212 2HO* C 20 2HO* C 20 -10.406 -14.363 -1.363
213 H1* C 20 H1* C 20 -8.579 -13.591 -0.777
214 1H4 C 20 H41 C 20 -3.162 -15.335 -3.659
215 2H4 C 20 H42 C 20 -2.483 -15.769 -2.106
216 H5 C 20 H5 C 20 -3.762 -15.754 -0.058
217 H6 C 20 H6 C 20 -5.962 -15.320 0.934
218 1H5* C 21 2H5* C 21 -11.326 -16.448 -2.086
219 2H5* C 21 1H5* C 21 -12.287 -17.939 -2.124
220 H4* C 21 H4* C 21 -11.830 -17.215 -4.409
221 H3* C 21 H3* C 21 -10.334 -19.654 -3.416
222 H2* C 21 H2* C 21 -9.245 -19.867 -5.436
223 2HO* C 21 2HO* C 21 -11.073 -20.010 -6.744
224 H1* C 21 H1* C 21 -9.448 -17.090 -6.222
225 1H4 C 21 H41 C 21 -3.224 -18.303 -5.784
226 2H4 C 21 H42 C 21 -3.368 -18.647 -4.075
227 H5 C 21 H5 C 21 -5.471 -18.648 -2.900
228 H6 C 21 H6 C 21 -7.892 -18.320 -3.109
229 H3T C 21 H3T C 21 -11.954 -20.662 -4.650
Start of MODEL 9
1 1H5* G 1 2H5* G 1 0.329 -17.153 -13.790
2 2H5* G 1 1H5* G 1 0.265 -15.615 -14.675
3 H4* G 1 H4* G 1 -1.787 -16.415 -15.307
4 H3* G 1 H3* G 1 -2.142 -15.082 -12.618
5 H2* G 1 H2* G 1 -4.360 -15.865 -12.440
6 2HO* G 1 2HO* G 1 -5.368 -16.875 -14.350
7 H1* G 1 H1* G 1 -4.026 -18.367 -13.478
8 H8 G 1 H8 G 1 -1.097 -18.370 -11.383
9 H1 G 1 H1 G 1 -6.300 -17.885 -7.730
10 1H2 G 1 H21 G 1 -8.051 -17.323 -8.971
11 2H2 G 1 H22 G 1 -7.936 -17.067 -10.697
12 H5T G 1 H5T G 1 -0.589 -15.956 -11.988
13 1H5* G 2 2H5* G 2 -5.858 -14.932 -13.926
14 2H5* G 2 1H5* G 2 -5.958 -13.371 -14.763
15 H4* G 2 H4* G 2 -8.008 -13.422 -13.678
16 H3* G 2 H3* G 2 -5.929 -11.978 -12.052
17 H2* G 2 H2* G 2 -7.210 -11.935 -10.112
18 2HO* G 2 2HO* G 2 -9.673 -12.554 -11.252
19 H1* G 2 H1* G 2 -8.833 -14.201 -10.502
20 H8 G 2 H8 G 2 -5.128 -14.959 -10.652
21 H1 G 2 H1 G 2 -7.361 -14.525 -4.698
22 1H2 G 2 H21 G 2 -9.428 -13.714 -4.721
23 2H2 G 2 H22 G 2 -10.251 -13.281 -6.202
24 1H5* A 3 2H5* A 3 -9.038 -10.288 -11.248
25 2H5* A 3 1H5* A 3 -9.454 -8.632 -11.709
26 H4* A 3 H4* A 3 -9.922 -8.734 -9.414
27 H3* A 3 H3* A 3 -7.278 -7.448 -10.107
28 H2* A 3 H2* A 3 -6.662 -7.399 -7.880
29 2HO* A 3 2HO* A 3 -8.186 -6.842 -6.264
30 H1* A 3 H1* A 3 -8.836 -9.184 -6.980
31 H8 A 3 H8 A 3 -5.430 -10.036 -8.573
32 1H6 A 3 H61 A 3 -3.479 -11.303 -2.883
33 2H6 A 3 H62 A 3 -3.051 -11.291 -4.577
34 H2 A 3 H2 A 3 -7.696 -9.788 -2.590
35 1H5* U 4 2H5* U 4 -10.700 -4.557 -7.699
36 2H5* U 4 1H5* U 4 -9.841 -3.005 -7.665
37 H4* U 4 H4* U 4 -10.865 -4.000 -5.455
38 H3* U 4 H3* U 4 -8.183 -2.646 -5.867
39 H2* U 4 H2* U 4 -7.593 -3.019 -3.625
40 2HO* U 4 2HO* U 4 -9.947 -2.303 -3.087
41 H1* U 4 H1* U 4 -8.871 -5.470 -3.235
42 H3 U 4 H3 U 4 -4.536 -6.323 -2.401
43 H5 U 4 H5 U 4 -4.643 -5.647 -6.601
44 H6 U 4 H6 U 4 -6.982 -5.022 -6.354
45 1H5* G 5 2H5* G 5 -11.184 -1.140 -2.148
46 2H5* G 5 1H5* G 5 -10.675 0.561 -2.121
47 H4* G 5 H4* G 5 -10.852 -0.596 0.151
48 H3* G 5 H3* G 5 -8.484 0.946 -0.889
49 H2* G 5 H2* G 5 -7.116 0.347 0.940
50 2HO* G 5 2HO* G 5 -9.608 -0.152 2.185
51 H1* G 5 H1* G 5 -7.845 -2.254 1.227
52 H8 G 5 H8 G 5 -7.740 -1.160 -2.421
53 H1 G 5 H1 G 5 -2.038 -2.800 -0.093
54 1H2 G 5 H21 G 5 -2.177 -3.130 2.094
55 2H2 G 5 H22 G 5 -3.675 -2.945 2.979
56 1H5* C 6 2H5* C 6 -8.005 0.883 3.407
57 2H5* C 6 1H5* C 6 -8.052 2.601 3.819
58 H4* C 6 H4* C 6 -6.001 1.276 4.578
59 H3* C 6 H3* C 6 -6.029 3.923 3.098
60 H2* C 6 H2* C 6 -3.721 3.836 2.844
61 2HO* C 6 2HO* C 6 -2.423 3.375 4.532
62 H1* C 6 H1* C 6 -3.490 0.999 3.559
63 1H4 C 6 H41 C 6 -0.042 1.825 -1.746
64 2H4 C 6 H42 C 6 -1.466 2.336 -2.625
65 H5 C 6 H5 C 6 -3.635 2.576 -1.603
66 H6 C 6 H6 C 6 -4.911 2.372 0.486
67 1H5* C 7 2H5* C 7 -3.750 4.625 7.300
68 2H5* C 7 1H5* C 7 -3.589 6.391 7.338
69 H4* C 7 H4* C 7 -1.438 4.839 7.281
70 H3* C 7 H3* C 7 -1.895 7.401 5.691
71 H2* C 7 H2* C 7 0.290 7.169 4.842
72 2HO* C 7 2HO* C 7 1.268 6.853 6.918
73 H1* C 7 H1* C 7 0.337 4.335 4.836
74 1H4 C 7 H41 C 7 0.249 6.277 -1.208
75 2H4 C 7 H42 C 7 -1.481 6.523 -1.119
76 H5 C 7 H5 C 7 -2.742 6.293 0.927
77 H6 C 7 H6 C 7 -2.604 5.781 3.322
78 1H5* U 8 2H5* U 8 1.307 8.388 9.236
79 2H5* U 8 1H5* U 8 1.448 10.155 9.192
80 H4* U 8 H4* U 8 3.573 8.631 8.814
81 H3* U 8 H3* U 8 2.760 11.188 7.409
82 H2* U 8 H2* U 8 4.585 11.024 5.923
83 2HO* U 8 2HO* U 8 5.641 9.280 7.905
84 H1* U 8 H1* U 8 4.584 8.301 5.530
85 H3 U 8 H3 U 8 3.418 10.186 1.579
86 H5 U 8 H5 U 8 -0.054 10.526 3.944
87 H6 U 8 H6 U 8 1.229 9.690 5.826
88 1H5* C 9 2H5* C 9 7.249 12.038 7.849
89 2H5* C 9 1H5* C 9 7.106 13.751 8.295
90 H4* C 9 H4* C 9 8.286 13.062 6.036
91 H3* C 9 H3* C 9 6.663 15.381 6.841
92 H2* C 9 H2* C 9 5.537 15.719 4.870
93 2HO* C 9 2HO* C 9 7.578 15.172 3.102
94 H1* C 9 H1* C 9 6.645 13.521 3.273
95 1H4 C 9 H41 C 9 0.426 13.654 1.960
96 2H4 C 9 H42 C 9 0.028 13.323 3.630
97 H5 C 9 H5 C 9 1.685 13.152 5.375
98 H6 C 9 H6 C 9 4.074 13.257 5.889
99 1H5* C 10 2H5* C 10 7.332 18.883 5.922
100 2H5* C 10 1H5* C 10 7.345 17.455 4.868
101 H4* C 10 H4* C 10 8.151 20.253 4.299
102 H3* C 10 H3* C 10 6.399 18.409 3.133
103 H2* C 10 H2* C 10 8.042 16.912 2.297
104 2HO* C 10 2HO* C 10 6.914 18.305 0.524
105 H1* C 10 H1* C 10 9.885 19.164 1.516
106 1H4 C 10 H41 C 10 13.785 14.186 0.977
107 2H4 C 10 H42 C 10 13.318 13.586 2.553
108 H5 C 10 H5 C 10 11.636 14.634 3.920
109 H6 C 10 H6 C 10 10.024 16.481 4.066
110 1H5* C 11 2H5* C 11 7.241 20.067 -0.103
111 2H5* C 11 1H5* C 11 6.457 21.406 -0.967
112 H4* C 11 H4* C 11 6.835 19.319 -2.352
113 H3* C 11 H3* C 11 4.688 21.070 -2.461
114 H2* C 11 H2* C 11 3.140 19.804 -1.195
115 2HO* C 11 2HO* C 11 1.750 19.179 -2.679
116 H1* C 11 H1* C 11 4.098 17.176 -2.300
117 1H4 C 11 H41 C 11 0.552 15.482 2.702
118 2H4 C 11 H42 C 11 1.600 16.376 3.782
119 H5 C 11 H5 C 11 3.437 17.731 3.016
120 H6 C 11 H6 C 11 4.668 18.523 1.051
121 1H5* G 12 2H5* G 12 5.900 17.552 -5.055
122 2H5* G 12 1H5* G 12 6.834 17.489 -3.548
123 H4* G 12 H4* G 12 7.951 16.944 -6.325
124 H3* G 12 H3* G 12 6.743 15.186 -4.206
125 H2* G 12 H2* G 12 8.511 13.666 -4.209
126 2HO* G 12 2HO* G 12 8.612 14.419 -6.876
127 H1* G 12 H1* G 12 10.642 15.382 -4.893
128 H8 G 12 H8 G 12 12.001 15.474 -2.699
129 H1 G 12 H1 G 12 6.885 14.412 0.955
130 1H2 G 12 H21 G 12 5.050 14.417 -0.284
131 2H2 G 12 H22 G 12 5.083 14.683 -2.013
132 1H5* A 13 2H5* A 13 8.864 12.257 -6.948
133 2H5* A 13 1H5* A 13 7.592 11.022 -7.058
134 H4* A 13 H4* A 13 9.972 10.635 -5.788
135 H3* A 13 H3* A 13 7.236 9.417 -5.554
136 H2* A 13 H2* A 13 7.705 8.375 -3.482
137 2HO* A 13 2HO* A 13 10.455 9.093 -3.717
138 H1* A 13 H1* A 13 9.035 10.372 -2.254
139 H8 A 13 H8 A 13 6.256 11.529 -4.641
140 1H6 A 13 H61 A 13 2.433 11.078 0.171
141 2H6 A 13 H62 A 13 2.581 11.578 -1.499
142 H2 A 13 H2 A 13 6.449 9.500 1.425
143 1H5* G 14 2H5* G 14 10.542 6.696 -4.772
144 2H5* G 14 1H5* G 14 10.163 4.963 -4.837
145 H4* G 14 H4* G 14 10.822 6.101 -2.546
146 H3* G 14 H3* G 14 8.804 3.942 -3.165
147 H2* G 14 H2* G 14 7.741 4.092 -1.104
148 2HO* G 14 2HO* G 14 10.168 4.140 -0.229
149 H1* G 14 H1* G 14 8.224 6.772 -0.421
150 H8 G 14 H8 G 14 6.640 6.494 -3.841
151 H1 G 14 H1 G 14 2.404 5.822 0.857
152 1H2 G 14 H21 G 14 3.446 5.578 2.801
153 2H2 G 14 H22 G 14 5.190 5.583 2.938
154 1H5* U 15 2H5* U 15 12.585 3.220 -0.789
155 2H5* U 15 1H5* U 15 13.695 1.840 -0.927
156 H4* U 15 H4* U 15 12.224 0.404 0.254
157 H3* U 15 H3* U 15 10.137 2.382 -0.606
158 H2* U 15 H2* U 15 9.170 2.518 1.479
159 2HO* U 15 2HO* U 15 8.222 0.578 1.572
160 H1* U 15 H1* U 15 11.209 1.035 2.973
161 H3 U 15 H3 U 15 9.188 4.190 5.696
162 H5 U 15 H5 U 15 12.021 6.241 3.339
163 H6 U 15 H6 U 15 12.280 4.213 2.017
164 1H5* G 16 2H5* G 16 10.185 -2.022 -0.849
165 2H5* G 16 1H5* G 16 9.170 -3.212 -1.691
166 H4* G 16 H4* G 16 8.796 -2.645 0.896
167 H3* G 16 H3* G 16 6.774 -3.214 -1.365
168 H2* G 16 H2* G 16 4.961 -2.740 0.042
169 2HO* G 16 2HO* G 16 5.871 -2.486 2.499
170 H1* G 16 H1* G 16 6.147 -0.756 1.667
171 H8 G 16 H8 G 16 6.602 -0.034 -2.027
172 H1 G 16 H1 G 16 0.761 1.432 0.107
173 1H2 G 16 H21 G 16 0.484 0.650 2.160
174 2H2 G 16 H22 G 16 1.736 -0.228 3.009
175 1H5* C 17 2H5* C 17 6.149 -4.744 2.886
176 2H5* C 17 1H5* C 17 5.898 -6.490 2.699
177 H4* C 17 H4* C 17 4.462 -5.547 4.477
178 H3* C 17 H3* C 17 3.219 -6.710 1.968
179 H2* C 17 H2* C 17 1.054 -6.225 2.753
180 2HO* C 17 2HO* C 17 0.619 -6.480 4.809
181 H1* C 17 H1* C 17 1.616 -3.780 4.014
182 1H4 C 17 H41 C 17 -1.150 -2.560 -1.599
183 2H4 C 17 H42 C 17 0.381 -2.772 -2.415
184 H5 C 17 H5 C 17 2.377 -3.490 -1.297
185 H6 C 17 H6 C 17 3.358 -4.166 0.847
186 1H5* A 18 2H5* A 18 1.209 -8.264 5.969
187 2H5* A 18 1H5* A 18 0.914 -9.966 5.563
188 H4* A 18 H4* A 18 -1.069 -8.684 6.523
189 H3* A 18 H3* A 18 -1.076 -10.288 3.973
190 H2* A 18 H2* A 18 -3.274 -9.611 3.426
191 2HO* A 18 2HO* A 18 -3.480 -8.568 6.084
192 H1* A 18 H1* A 18 -3.123 -6.993 4.119
193 H8 A 18 H8 A 18 0.161 -8.230 2.676
194 1H6 A 18 H61 A 18 -2.160 -6.935 -2.893
195 2H6 A 18 H62 A 18 -0.722 -7.412 -2.017
196 H2 A 18 H2 A 18 -5.446 -6.484 0.137
197 1H5* U 19 2H5* U 19 -4.548 -12.315 6.423
198 2H5* U 19 1H5* U 19 -4.626 -13.926 5.682
199 H4* U 19 H4* U 19 -6.662 -12.287 5.424
200 H3* U 19 H3* U 19 -5.377 -14.026 3.300
201 H2* U 19 H2* U 19 -6.852 -13.198 1.664
202 2HO* U 19 2HO* U 19 -8.865 -12.763 2.172
203 H1* U 19 H1* U 19 -6.950 -10.539 2.532
204 H3 U 19 H3 U 19 -4.968 -10.656 -1.580
205 H5 U 19 H5 U 19 -1.932 -11.873 1.150
206 H6 U 19 H6 U 19 -3.629 -11.918 2.881
207 1H5* C 20 2H5* C 20 -9.863 -15.206 3.751
208 2H5* C 20 1H5* C 20 -10.099 -16.780 2.966
209 H4* C 20 H4* C 20 -11.329 -14.633 2.043
210 H3* C 20 H3* C 20 -9.994 -16.881 0.512
211 H2* C 20 H2* C 20 -10.443 -15.806 -1.545
212 2HO* C 20 2HO* C 20 -11.839 -13.717 -1.246
213 H1* C 20 H1* C 20 -9.931 -13.219 -0.779
214 1H4 C 20 H41 C 20 -4.769 -15.649 -3.659
215 2H4 C 20 H42 C 20 -4.128 -16.094 -2.093
216 H5 C 20 H5 C 20 -5.378 -15.868 -0.043
217 H6 C 20 H6 C 20 -7.511 -15.166 0.944
218 1H5* C 21 2H5* C 21 -12.596 -15.664 -2.282
219 2H5* C 21 1H5* C 21 -13.917 -16.845 -2.190
220 H4* C 21 H4* C 21 -13.441 -16.672 -4.505
221 H3* C 21 H3* C 21 -12.046 -19.038 -3.229
222 H2* C 21 H2* C 21 -11.081 -19.612 -5.250
223 2HO* C 21 2HO* C 21 -13.289 -19.450 -6.275
224 H1* C 21 H1* C 21 -11.024 -16.962 -6.365
225 1H4 C 21 H41 C 21 -4.923 -18.532 -5.579
226 2H4 C 21 H42 C 21 -5.155 -18.796 -3.866
227 H5 C 21 H5 C 21 -7.293 -18.588 -2.776
228 H6 C 21 H6 C 21 -9.672 -18.083 -3.094
229 H3T C 21 H3T C 21 -13.791 -19.890 -4.842
Start of MODEL 10
1 1H5* G 1 2H5* G 1 0.283 -17.599 -14.216
2 2H5* G 1 1H5* G 1 0.306 -16.058 -15.097
3 H4* G 1 H4* G 1 -1.891 -16.586 -15.473
4 H3* G 1 H3* G 1 -1.758 -15.266 -12.755
5 H2* G 1 H2* G 1 -4.019 -15.764 -12.328
6 2HO* G 1 2HO* G 1 -4.150 -15.759 -15.105
7 H1* G 1 H1* G 1 -4.141 -18.260 -13.452
8 H8 G 1 H8 G 1 -1.009 -18.509 -11.580
9 H1 G 1 H1 G 1 -5.953 -17.989 -7.587
10 1H2 G 1 H21 G 1 -7.756 -17.321 -8.693
11 2H2 G 1 H22 G 1 -7.739 -17.005 -10.413
12 H5T G 1 H5T G 1 0.284 -14.969 -13.247
13 1H5* G 2 2H5* G 2 -5.598 -14.802 -13.998
14 2H5* G 2 1H5* G 2 -5.579 -13.212 -14.786
15 H4* G 2 H4* G 2 -7.657 -13.194 -13.732
16 H3* G 2 H3* G 2 -5.529 -11.877 -12.047
17 H2* G 2 H2* G 2 -6.894 -11.734 -10.164
18 2HO* G 2 2HO* G 2 -9.218 -11.779 -10.374
19 H1* G 2 H1* G 2 -8.562 -13.950 -10.574
20 H8 G 2 H8 G 2 -4.840 -14.725 -10.657
21 H1 G 2 H1 G 2 -7.245 -14.463 -4.762
22 1H2 G 2 H21 G 2 -9.317 -13.667 -4.824
23 2H2 G 2 H22 G 2 -10.101 -13.204 -6.317
24 1H5* A 3 2H5* A 3 -8.817 -9.999 -11.373
25 2H5* A 3 1H5* A 3 -8.948 -8.275 -11.743
26 H4* A 3 H4* A 3 -9.728 -8.638 -9.497
27 H3* A 3 H3* A 3 -7.099 -7.208 -9.920
28 H2* A 3 H2* A 3 -6.638 -7.262 -7.656
29 2HO* A 3 2HO* A 3 -8.290 -6.883 -6.120
30 H1* A 3 H1* A 3 -8.746 -9.205 -6.990
31 H8 A 3 H8 A 3 -5.301 -9.904 -8.533
32 1H6 A 3 H61 A 3 -3.400 -11.331 -2.866
33 2H6 A 3 H62 A 3 -2.955 -11.265 -4.555
34 H2 A 3 H2 A 3 -7.629 -9.849 -2.569
35 1H5* U 4 2H5* U 4 -10.490 -5.498 -7.259
36 2H5* U 4 1H5* U 4 -10.493 -3.732 -7.442
37 H4* U 4 H4* U 4 -10.897 -4.377 -5.106
38 H3* U 4 H3* U 4 -8.341 -2.920 -5.835
39 H2* U 4 H2* U 4 -7.577 -3.018 -3.619
40 2HO* U 4 2HO* U 4 -9.910 -2.348 -2.985
41 H1* U 4 H1* U 4 -8.700 -5.466 -2.865
42 H3 U 4 H3 U 4 -4.374 -6.346 -2.226
43 H5 U 4 H5 U 4 -4.581 -5.560 -6.401
44 H6 U 4 H6 U 4 -6.929 -4.998 -6.092
45 1H5* G 5 2H5* G 5 -11.435 -0.714 -2.168
46 2H5* G 5 1H5* G 5 -10.563 0.830 -2.263
47 H4* G 5 H4* G 5 -10.996 -0.291 0.080
48 H3* G 5 H3* G 5 -8.576 1.154 -0.972
49 H2* G 5 H2* G 5 -7.229 0.545 0.864
50 2HO* G 5 2HO* G 5 -8.804 -0.734 2.561
51 H1* G 5 H1* G 5 -8.059 -2.020 1.230
52 H8 G 5 H8 G 5 -7.878 -1.034 -2.446
53 H1 G 5 H1 G 5 -2.269 -2.846 -0.026
54 1H2 G 5 H21 G 5 -2.435 -3.117 2.167
55 2H2 G 5 H22 G 5 -3.931 -2.853 3.035
56 1H5* C 6 2H5* C 6 -8.086 1.249 3.398
57 2H5* C 6 1H5* C 6 -8.079 2.993 3.691
58 H4* C 6 H4* C 6 -6.046 1.635 4.488
59 H3* C 6 H3* C 6 -6.021 4.213 2.881
60 H2* C 6 H2* C 6 -3.702 4.070 2.691
61 2HO* C 6 2HO* C 6 -2.706 2.644 4.576
62 H1* C 6 H1* C 6 -3.561 1.241 3.419
63 1H4 C 6 H41 C 6 -0.213 1.920 -1.973
64 2H4 C 6 H42 C 6 -1.656 2.403 -2.836
65 H5 C 6 H5 C 6 -3.801 2.678 -1.774
66 H6 C 6 H6 C 6 -5.029 2.545 0.344
67 1H5* C 7 2H5* C 7 -3.867 4.930 7.202
68 2H5* C 7 1H5* C 7 -3.562 6.678 7.209
69 H4* C 7 H4* C 7 -1.550 4.957 7.351
70 H3* C 7 H3* C 7 -1.700 7.516 5.708
71 H2* C 7 H2* C 7 0.500 7.106 4.954
72 2HO* C 7 2HO* C 7 1.108 4.932 6.545
73 H1* C 7 H1* C 7 0.316 4.313 4.822
74 1H4 C 7 H41 C 7 0.125 6.529 -1.127
75 2H4 C 7 H42 C 7 -1.586 6.858 -0.963
76 H5 C 7 H5 C 7 -2.785 6.600 1.115
77 H6 C 7 H6 C 7 -2.591 5.975 3.479
78 1H5* U 8 2H5* U 8 1.440 8.435 9.390
79 2H5* U 8 1H5* U 8 1.548 10.204 9.315
80 H4* U 8 H4* U 8 3.717 8.719 9.034
81 H3* U 8 H3* U 8 2.895 11.240 7.584
82 H2* U 8 H2* U 8 4.721 11.084 6.097
83 2HO* U 8 2HO* U 8 6.020 8.924 7.228
84 H1* U 8 H1* U 8 4.750 8.373 5.707
85 H3 U 8 H3 U 8 3.421 10.240 1.794
86 H5 U 8 H5 U 8 0.020 10.511 4.268
87 H6 U 8 H6 U 8 1.376 9.686 6.105
88 1H5* C 9 2H5* C 9 7.375 12.070 7.813
89 2H5* C 9 1H5* C 9 7.254 13.779 8.279
90 H4* C 9 H4* C 9 8.315 13.112 5.957
91 H3* C 9 H3* C 9 6.729 15.420 6.858
92 H2* C 9 H2* C 9 5.490 15.756 4.956
93 2HO* C 9 2HO* C 9 8.031 15.452 3.697
94 H1* C 9 H1* C 9 6.539 13.580 3.285
95 1H4 C 9 H41 C 9 0.262 13.638 2.273
96 2H4 C 9 H42 C 9 -0.054 13.339 3.968
97 H5 C 9 H5 C 9 1.687 13.211 5.634
98 H6 C 9 H6 C 9 4.096 13.333 6.027
99 1H5* C 10 2H5* C 10 7.317 18.877 5.655
100 2H5* C 10 1H5* C 10 7.364 17.504 4.528
101 H4* C 10 H4* C 10 8.070 20.343 4.094
102 H3* C 10 H3* C 10 6.452 18.483 2.790
103 H2* C 10 H2* C 10 8.157 17.077 1.945
104 2HO* C 10 2HO* C 10 8.442 17.605 -0.194
105 H1* C 10 H1* C 10 10.024 19.348 1.342
106 1H4 C 10 H41 C 10 13.970 14.377 1.161
107 2H4 C 10 H42 C 10 13.326 13.744 2.659
108 H5 C 10 H5 C 10 11.506 14.772 3.853
109 H6 C 10 H6 C 10 9.900 16.633 3.864
110 1H5* C 11 2H5* C 11 7.245 19.604 -0.219
111 2H5* C 11 1H5* C 11 6.797 20.956 -1.279
112 H4* C 11 H4* C 11 6.829 18.840 -2.533
113 H3* C 11 H3* C 11 4.800 20.705 -2.671
114 H2* C 11 H2* C 11 3.275 19.627 -1.196
115 2HO* C 11 2HO* C 11 2.180 19.702 -3.174
116 H1* C 11 H1* C 11 3.972 16.901 -2.289
117 1H4 C 11 H41 C 11 0.602 15.447 2.900
118 2H4 C 11 H42 C 11 1.685 16.382 3.907
119 H5 C 11 H5 C 11 3.508 17.685 3.030
120 H6 C 11 H6 C 11 4.688 18.377 0.999
121 1H5* G 12 2H5* G 12 6.084 16.916 -5.182
122 2H5* G 12 1H5* G 12 6.753 16.896 -3.538
123 H4* G 12 H4* G 12 8.351 16.501 -6.098
124 H3* G 12 H3* G 12 6.985 14.621 -4.195
125 H2* G 12 H2* G 12 8.858 13.286 -3.861
126 2HO* G 12 2HO* G 12 10.604 13.939 -5.758
127 H1* G 12 H1* G 12 10.919 15.176 -4.320
128 H8 G 12 H8 G 12 12.045 15.101 -2.038
129 H1 G 12 H1 G 12 6.594 14.259 1.152
130 1H2 G 12 H21 G 12 4.877 14.323 -0.237
131 2H2 G 12 H22 G 12 5.065 14.574 -1.959
132 1H5* A 13 2H5* A 13 8.642 12.686 -6.575
133 2H5* A 13 1H5* A 13 8.283 11.240 -7.540
134 H4* A 13 H4* A 13 9.854 10.665 -5.758
135 H3* A 13 H3* A 13 7.033 9.587 -5.626
136 H2* A 13 H2* A 13 7.475 8.520 -3.557
137 2HO* A 13 2HO* A 13 9.895 8.767 -2.862
138 H1* A 13 H1* A 13 8.938 10.496 -2.375
139 H8 A 13 H8 A 13 6.002 11.719 -4.504
140 1H6 A 13 H61 A 13 2.539 11.168 0.560
141 2H6 A 13 H62 A 13 2.573 11.723 -1.099
142 H2 A 13 H2 A 13 6.604 9.479 1.457
143 1H5* G 14 2H5* G 14 10.280 6.670 -5.029
144 2H5* G 14 1H5* G 14 9.831 4.955 -5.110
145 H4* G 14 H4* G 14 10.649 6.024 -2.830
146 H3* G 14 H3* G 14 8.537 3.938 -3.388
147 H2* G 14 H2* G 14 7.572 4.083 -1.277
148 2HO* G 14 2HO* G 14 9.831 5.413 -0.184
149 H1* G 14 H1* G 14 8.137 6.741 -0.586
150 H8 G 14 H8 G 14 6.457 6.626 -3.955
151 H1 G 14 H1 G 14 2.330 5.845 0.824
152 1H2 G 14 H21 G 14 3.418 5.477 2.724
153 2H2 G 14 H22 G 14 5.164 5.425 2.811
154 1H5* U 15 2H5* U 15 12.397 3.168 -1.198
155 2H5* U 15 1H5* U 15 13.536 1.819 -1.396
156 H4* U 15 H4* U 15 12.129 0.330 -0.180
157 H3* U 15 H3* U 15 10.003 2.319 -0.870
158 H2* U 15 H2* U 15 9.241 2.531 1.290
159 2HO* U 15 2HO* U 15 8.922 0.574 2.551
160 H1* U 15 H1* U 15 11.296 0.865 2.591
161 H3 U 15 H3 U 15 9.743 3.841 5.734
162 H5 U 15 H5 U 15 12.172 6.073 3.106
163 H6 U 15 H6 U 15 12.258 4.123 1.650
164 1H5* G 16 2H5* G 16 10.008 -2.101 -1.027
165 2H5* G 16 1H5* G 16 8.914 -3.290 -1.762
166 H4* G 16 H4* G 16 8.692 -2.540 0.813
167 H3* G 16 H3* G 16 6.581 -3.290 -1.304
168 H2* G 16 H2* G 16 4.820 -2.675 0.107
169 2HO* G 16 2HO* G 16 5.459 -2.307 2.491
170 H1* G 16 H1* G 16 6.080 -0.599 1.559
171 H8 G 16 H8 G 16 6.407 -0.050 -2.163
172 H1 G 16 H1 G 16 0.605 1.430 0.068
173 1H2 G 16 H21 G 16 0.391 0.725 2.155
174 2H2 G 16 H22 G 16 1.676 -0.108 3.002
175 1H5* C 17 2H5* C 17 5.862 -4.382 2.944
176 2H5* C 17 1H5* C 17 5.889 -6.157 2.942
177 H4* C 17 H4* C 17 4.276 -5.449 4.587
178 H3* C 17 H3* C 17 3.159 -6.589 2.010
179 H2* C 17 H2* C 17 0.953 -6.263 2.758
180 2HO* C 17 2HO* C 17 1.046 -5.442 5.246
181 H1* C 17 H1* C 17 1.335 -3.841 4.126
182 1H4 C 17 H41 C 17 -1.357 -2.500 -1.493
183 2H4 C 17 H42 C 17 0.184 -2.680 -2.298
184 H5 C 17 H5 C 17 2.176 -3.399 -1.175
185 H6 C 17 H6 C 17 3.144 -4.107 0.965
186 1H5* A 18 2H5* A 18 1.409 -8.810 5.972
187 2H5* A 18 1H5* A 18 0.995 -10.395 5.288
188 H4* A 18 H4* A 18 -0.838 -9.066 6.579
189 H3* A 18 H3* A 18 -1.057 -10.587 3.997
190 H2* A 18 H2* A 18 -3.223 -9.779 3.525
191 2HO* A 18 2HO* A 18 -3.326 -8.801 6.214
192 H1* A 18 H1* A 18 -2.946 -7.196 4.295
193 H8 A 18 H8 A 18 0.285 -8.428 2.753
194 1H6 A 18 H61 A 18 -2.138 -7.007 -2.737
195 2H6 A 18 H62 A 18 -0.684 -7.500 -1.899
196 H2 A 18 H2 A 18 -5.371 -6.638 0.359
197 1H5* U 19 2H5* U 19 -4.596 -12.456 6.421
198 2H5* U 19 1H5* U 19 -4.713 -14.067 5.684
199 H4* U 19 H4* U 19 -6.701 -12.383 5.400
200 H3* U 19 H3* U 19 -5.429 -14.140 3.284
201 H2* U 19 H2* U 19 -6.859 -13.267 1.632
202 2HO* U 19 2HO* U 19 -8.474 -11.724 3.290
203 H1* U 19 H1* U 19 -6.921 -10.613 2.524
204 H3 U 19 H3 U 19 -4.899 -10.716 -1.569
205 H5 U 19 H5 U 19 -1.910 -11.998 1.183
206 H6 U 19 H6 U 19 -3.628 -12.043 2.893
207 1H5* C 20 2H5* C 20 -9.967 -15.211 3.614
208 2H5* C 20 1H5* C 20 -10.186 -16.790 2.832
209 H4* C 20 H4* C 20 -11.382 -14.647 1.860
210 H3* C 20 H3* C 20 -10.006 -16.906 0.382
211 H2* C 20 H2* C 20 -10.385 -15.842 -1.692
212 2HO* C 20 2HO* C 20 -12.585 -14.950 -0.422
213 H1* C 20 H1* C 20 -9.916 -13.243 -0.920
214 1H4 C 20 H41 C 20 -4.667 -15.601 -3.684
215 2H4 C 20 H42 C 20 -4.071 -16.086 -2.112
216 H5 C 20 H5 C 20 -5.378 -15.908 -0.092
217 H6 C 20 H6 C 20 -7.538 -15.226 0.851
218 1H5* C 21 2H5* C 21 -12.816 -15.671 -2.254
219 2H5* C 21 1H5* C 21 -14.055 -16.940 -2.306
220 H4* C 21 H4* C 21 -13.515 -16.350 -4.585
221 H3* C 21 H3* C 21 -12.341 -18.965 -3.606
222 H2* C 21 H2* C 21 -11.308 -19.320 -5.636
223 2HO* C 21 2HO* C 21 -12.858 -17.432 -7.048
224 H1* C 21 H1* C 21 -11.134 -16.543 -6.420
225 1H4 C 21 H41 C 21 -5.124 -18.556 -5.960
226 2H4 C 21 H42 C 21 -5.321 -18.892 -4.255
227 H5 C 21 H5 C 21 -7.413 -18.631 -3.089
228 H6 C 21 H6 C 21 -9.769 -17.987 -3.306
229 H3T C 21 H3T C 21 -14.180 -18.978 -5.617
Start of MODEL 11
1 1H5* G 1 2H5* G 1 0.951 -16.765 -13.498
2 2H5* G 1 1H5* G 1 0.790 -15.256 -14.419
3 H4* G 1 H4* G 1 -1.194 -16.207 -15.048
4 H3* G 1 H3* G 1 -1.664 -14.838 -12.397
5 H2* G 1 H2* G 1 -3.818 -15.774 -12.204
6 2HO* G 1 2HO* G 1 -3.787 -16.852 -14.812
7 H1* G 1 H1* G 1 -3.314 -18.267 -13.198
8 H8 G 1 H8 G 1 -0.416 -18.112 -11.103
9 H1 G 1 H1 G 1 -5.635 -17.765 -7.455
10 1H2 G 1 H21 G 1 -7.403 -17.279 -8.702
11 2H2 G 1 H22 G 1 -7.296 -17.041 -10.432
12 H5T G 1 H5T G 1 0.447 -15.735 -11.671
13 1H5* G 2 2H5* G 2 -5.362 -14.983 -13.783
14 2H5* G 2 1H5* G 2 -5.543 -13.461 -14.677
15 H4* G 2 H4* G 2 -7.621 -13.614 -13.657
16 H3* G 2 H3* G 2 -5.699 -12.000 -11.993
17 H2* G 2 H2* G 2 -7.062 -11.986 -10.109
18 2HO* G 2 2HO* G 2 -9.466 -12.747 -10.790
19 H1* G 2 H1* G 2 -8.491 -14.376 -10.480
20 H8 G 2 H8 G 2 -4.725 -14.826 -10.512
21 H1 G 2 H1 G 2 -7.181 -14.514 -4.638
22 1H2 G 2 H21 G 2 -9.308 -13.888 -4.737
23 2H2 G 2 H22 G 2 -10.118 -13.546 -6.249
24 1H5* A 3 2H5* A 3 -8.932 -10.463 -11.232
25 2H5* A 3 1H5* A 3 -9.342 -8.813 -11.718
26 H4* A 3 H4* A 3 -9.857 -8.921 -9.424
27 H3* A 3 H3* A 3 -7.246 -7.559 -10.098
28 H2* A 3 H2* A 3 -6.647 -7.484 -7.865
29 2HO* A 3 2HO* A 3 -8.367 -5.997 -7.450
30 H1* A 3 H1* A 3 -8.786 -9.319 -6.972
31 H8 A 3 H8 A 3 -5.339 -10.076 -8.523
32 1H6 A 3 H61 A 3 -3.430 -11.301 -2.805
33 2H6 A 3 H62 A 3 -2.977 -11.274 -4.494
34 H2 A 3 H2 A 3 -7.694 -9.913 -2.571
35 1H5* U 4 2H5* U 4 -10.769 -4.795 -7.716
36 2H5* U 4 1H5* U 4 -9.980 -3.205 -7.680
37 H4* U 4 H4* U 4 -10.969 -4.238 -5.474
38 H3* U 4 H3* U 4 -8.342 -2.778 -5.876
39 H2* U 4 H2* U 4 -7.739 -3.133 -3.636
40 2HO* U 4 2HO* U 4 -9.560 -2.387 -2.605
41 H1* U 4 H1* U 4 -8.945 -5.622 -3.238
42 H3 U 4 H3 U 4 -4.601 -6.353 -2.355
43 H5 U 4 H5 U 4 -4.678 -5.670 -6.557
44 H6 U 4 H6 U 4 -7.036 -5.116 -6.336
45 1H5* G 5 2H5* G 5 -11.503 -1.085 -2.053
46 2H5* G 5 1H5* G 5 -10.785 0.537 -2.130
47 H4* G 5 H4* G 5 -11.047 -0.600 0.199
48 H3* G 5 H3* G 5 -8.679 0.894 -0.912
49 H2* G 5 H2* G 5 -7.298 0.323 0.916
50 2HO* G 5 2HO* G 5 -9.277 -0.948 2.426
51 H1* G 5 H1* G 5 -8.048 -2.266 1.260
52 H8 G 5 H8 G 5 -7.973 -1.274 -2.412
53 H1 G 5 H1 G 5 -2.248 -2.831 -0.090
54 1H2 G 5 H21 G 5 -2.365 -3.093 2.109
55 2H2 G 5 H22 G 5 -3.855 -2.884 3.001
56 1H5* C 6 2H5* C 6 -8.155 0.923 3.394
57 2H5* C 6 1H5* C 6 -8.183 2.653 3.758
58 H4* C 6 H4* C 6 -6.132 1.309 4.519
59 H3* C 6 H3* C 6 -6.177 3.950 3.028
60 H2* C 6 H2* C 6 -3.869 3.863 2.746
61 2HO* C 6 2HO* C 6 -2.564 3.445 4.427
62 H1* C 6 H1* C 6 -3.632 1.028 3.468
63 1H4 C 6 H41 C 6 -0.248 1.840 -1.883
64 2H4 C 6 H42 C 6 -1.693 2.297 -2.757
65 H5 C 6 H5 C 6 -3.855 2.509 -1.713
66 H6 C 6 H6 C 6 -5.100 2.327 0.393
67 1H5* C 7 2H5* C 7 -3.869 4.644 7.237
68 2H5* C 7 1H5* C 7 -3.686 6.408 7.269
69 H4* C 7 H4* C 7 -1.555 4.828 7.221
70 H3* C 7 H3* C 7 -1.980 7.391 5.625
71 H2* C 7 H2* C 7 0.207 7.133 4.777
72 2HO* C 7 2HO* C 7 1.712 6.557 6.139
73 H1* C 7 H1* C 7 0.204 4.311 4.714
74 1H4 C 7 H41 C 7 -0.035 6.407 -1.277
75 2H4 C 7 H42 C 7 -1.759 6.668 -1.132
76 H5 C 7 H5 C 7 -2.966 6.394 0.942
77 H6 C 7 H6 C 7 -2.765 5.814 3.317
78 1H5* U 8 2H5* U 8 1.209 8.347 9.203
79 2H5* U 8 1H5* U 8 1.359 10.114 9.173
80 H4* U 8 H4* U 8 3.482 8.580 8.809
81 H3* U 8 H3* U 8 2.696 11.156 7.430
82 H2* U 8 H2* U 8 4.523 10.999 5.943
83 2HO* U 8 2HO* U 8 5.567 8.980 7.686
84 H1* U 8 H1* U 8 4.485 8.295 5.489
85 H3 U 8 H3 U 8 3.251 10.330 1.618
86 H5 U 8 H5 U 8 -0.194 10.518 4.039
87 H6 U 8 H6 U 8 1.130 9.638 5.875
88 1H5* C 9 2H5* C 9 7.231 11.929 7.928
89 2H5* C 9 1H5* C 9 7.095 13.638 8.391
90 H4* C 9 H4* C 9 8.328 12.974 6.160
91 H3* C 9 H3* C 9 6.680 15.283 6.939
92 H2* C 9 H2* C 9 5.615 15.640 4.937
93 2HO* C 9 2HO* C 9 8.276 15.752 4.256
94 H1* C 9 H1* C 9 6.770 13.455 3.354
95 1H4 C 9 H41 C 9 0.587 13.636 1.871
96 2H4 C 9 H42 C 9 0.142 13.290 3.527
97 H5 C 9 H5 C 9 1.750 13.088 5.312
98 H6 C 9 H6 C 9 4.125 13.168 5.892
99 1H5* C 10 2H5* C 10 7.436 18.774 6.043
100 2H5* C 10 1H5* C 10 7.542 17.330 5.016
101 H4* C 10 H4* C 10 8.413 20.121 4.486
102 H3* C 10 H3* C 10 6.725 18.285 3.214
103 H2* C 10 H2* C 10 8.402 16.771 2.489
104 2HO* C 10 2HO* C 10 9.137 18.331 0.382
105 H1* C 10 H1* C 10 10.329 18.996 1.848
106 1H4 C 10 H41 C 10 14.197 13.969 1.609
107 2H4 C 10 H42 C 10 13.590 13.365 3.135
108 H5 C 10 H5 C 10 11.813 14.430 4.365
109 H6 C 10 H6 C 10 10.220 16.297 4.386
110 1H5* C 11 2H5* C 11 7.710 19.715 0.075
111 2H5* C 11 1H5* C 11 7.138 21.102 -0.872
112 H4* C 11 H4* C 11 7.346 19.013 -2.223
113 H3* C 11 H3* C 11 5.276 20.865 -2.344
114 H2* C 11 H2* C 11 3.639 19.653 -1.150
115 2HO* C 11 2HO* C 11 3.617 19.072 -3.851
116 H1* C 11 H1* C 11 4.539 16.989 -2.212
117 1H4 C 11 H41 C 11 0.825 15.417 2.698
118 2H4 C 11 H42 C 11 1.805 16.368 3.791
119 H5 C 11 H5 C 11 3.663 17.719 3.064
120 H6 C 11 H6 C 11 4.980 18.447 1.131
121 1H5* G 12 2H5* G 12 6.394 17.354 -5.030
122 2H5* G 12 1H5* G 12 7.266 17.237 -3.489
123 H4* G 12 H4* G 12 8.475 16.674 -6.223
124 H3* G 12 H3* G 12 7.045 14.960 -4.221
125 H2* G 12 H2* G 12 8.726 13.366 -4.062
126 2HO* G 12 2HO* G 12 10.406 13.578 -5.992
127 H1* G 12 H1* G 12 10.995 14.936 -4.685
128 H8 G 12 H8 G 12 12.276 14.963 -2.448
129 H1 G 12 H1 G 12 6.994 14.201 1.035
130 1H2 G 12 H21 G 12 5.204 14.302 -0.263
131 2H2 G 12 H22 G 12 5.307 14.556 -1.992
132 1H5* A 13 2H5* A 13 8.335 12.760 -6.827
133 2H5* A 13 1H5* A 13 7.576 11.309 -7.515
134 H4* A 13 H4* A 13 9.561 10.885 -5.977
135 H3* A 13 H3* A 13 6.830 9.650 -5.726
136 H2* A 13 H2* A 13 7.331 8.624 -3.654
137 2HO* A 13 2HO* A 13 9.359 8.118 -3.044
138 H1* A 13 H1* A 13 8.702 10.636 -2.468
139 H8 A 13 H8 A 13 5.837 11.837 -4.697
140 1H6 A 13 H61 A 13 2.188 11.219 0.229
141 2H6 A 13 H62 A 13 2.281 11.783 -1.425
142 H2 A 13 H2 A 13 6.236 9.569 1.273
143 1H5* G 14 2H5* G 14 10.180 6.903 -5.050
144 2H5* G 14 1H5* G 14 9.792 5.172 -5.123
145 H4* G 14 H4* G 14 10.518 6.290 -2.836
146 H3* G 14 H3* G 14 8.475 4.140 -3.417
147 H2* G 14 H2* G 14 7.488 4.265 -1.312
148 2HO* G 14 2HO* G 14 8.744 5.301 0.468
149 H1* G 14 H1* G 14 7.958 6.950 -0.648
150 H8 G 14 H8 G 14 6.314 6.715 -4.031
151 H1 G 14 H1 G 14 2.174 5.917 0.730
152 1H2 G 14 H21 G 14 3.255 5.624 2.646
153 2H2 G 14 H22 G 14 5.001 5.626 2.748
154 1H5* U 15 2H5* U 15 12.311 3.502 -1.172
155 2H5* U 15 1H5* U 15 13.502 2.194 -1.334
156 H4* U 15 H4* U 15 12.129 0.666 -0.127
157 H3* U 15 H3* U 15 9.947 2.567 -0.884
158 H2* U 15 H2* U 15 9.132 2.779 1.254
159 2HO* U 15 2HO* U 15 9.631 0.212 2.158
160 H1* U 15 H1* U 15 11.213 1.203 2.622
161 H3 U 15 H3 U 15 9.436 4.177 5.660
162 H5 U 15 H5 U 15 11.914 6.438 3.103
163 H6 U 15 H6 U 15 12.116 4.469 1.681
164 1H5* G 16 2H5* G 16 10.037 -2.039 -1.154
165 2H5* G 16 1H5* G 16 8.857 -3.082 -1.973
166 H4* G 16 H4* G 16 8.703 -2.386 0.666
167 H3* G 16 H3* G 16 6.595 -3.125 -1.462
168 H2* G 16 H2* G 16 4.837 -2.547 -0.028
169 2HO* G 16 2HO* G 16 5.793 -2.139 2.375
170 H1* G 16 H1* G 16 6.085 -0.468 1.428
171 H8 G 16 H8 G 16 6.400 0.117 -2.284
172 H1 G 16 H1 G 16 0.568 1.485 -0.062
173 1H2 G 16 H21 G 16 0.358 0.759 2.018
174 2H2 G 16 H22 G 16 1.651 -0.059 2.865
175 1H5* C 17 2H5* C 17 6.006 -4.319 2.921
176 2H5* C 17 1H5* C 17 5.867 -6.084 2.820
177 H4* C 17 H4* C 17 4.357 -5.183 4.540
178 H3* C 17 H3* C 17 3.189 -6.451 2.047
179 H2* C 17 H2* C 17 0.997 -6.041 2.797
180 2HO* C 17 2HO* C 17 1.070 -6.799 4.872
181 H1* C 17 H1* C 17 1.446 -3.557 4.034
182 1H4 C 17 H41 C 17 -1.369 -2.507 -1.586
183 2H4 C 17 H42 C 17 0.169 -2.667 -2.403
184 H5 C 17 H5 C 17 2.193 -3.294 -1.279
185 H6 C 17 H6 C 17 3.202 -3.909 0.871
186 1H5* A 18 2H5* A 18 1.189 -8.297 6.109
187 2H5* A 18 1H5* A 18 0.841 -9.922 5.485
188 H4* A 18 H4* A 18 -1.095 -8.545 6.552
189 H3* A 18 H3* A 18 -1.123 -10.180 4.023
190 H2* A 18 H2* A 18 -3.291 -9.450 3.438
191 2HO* A 18 2HO* A 18 -4.742 -8.725 4.904
192 H1* A 18 H1* A 18 -3.084 -6.829 4.115
193 H8 A 18 H8 A 18 0.193 -8.099 2.716
194 1H6 A 18 H61 A 18 -2.096 -6.937 -2.895
195 2H6 A 18 H62 A 18 -0.661 -7.386 -2.001
196 H2 A 18 H2 A 18 -5.405 -6.443 0.099
197 1H5* U 19 2H5* U 19 -4.450 -12.475 6.552
198 2H5* U 19 1H5* U 19 -4.466 -14.036 5.706
199 H4* U 19 H4* U 19 -6.562 -12.430 5.578
200 H3* U 19 H3* U 19 -5.287 -14.085 3.383
201 H2* U 19 H2* U 19 -6.814 -13.246 1.799
202 2HO* U 19 2HO* U 19 -8.720 -12.098 2.486
203 H1* U 19 H1* U 19 -6.926 -10.609 2.721
204 H3 U 19 H3 U 19 -4.999 -10.685 -1.427
205 H5 U 19 H5 U 19 -1.898 -11.797 1.274
206 H6 U 19 H6 U 19 -3.574 -11.892 3.024
207 1H5* C 20 2H5* C 20 -9.755 -15.392 3.785
208 2H5* C 20 1H5* C 20 -9.883 -16.980 3.003
209 H4* C 20 H4* C 20 -11.227 -14.914 2.054
210 H3* C 20 H3* C 20 -9.737 -17.080 0.546
211 H2* C 20 H2* C 20 -10.241 -16.040 -1.517
212 2HO* C 20 2HO* C 20 -11.827 -14.350 -1.634
213 H1* C 20 H1* C 20 -9.888 -13.424 -0.753
214 1H4 C 20 H41 C 20 -4.556 -15.521 -3.579
215 2H4 C 20 H42 C 20 -3.904 -15.919 -2.006
216 H5 C 20 H5 C 20 -5.184 -15.776 0.029
217 H6 C 20 H6 C 20 -7.369 -15.216 0.996
218 1H5* C 21 2H5* C 21 -12.468 -15.905 -2.219
219 2H5* C 21 1H5* C 21 -13.636 -17.238 -2.300
220 H4* C 21 H4* C 21 -12.984 -16.726 -4.561
221 H3* C 21 H3* C 21 -11.685 -19.202 -3.395
222 H2* C 21 H2* C 21 -10.521 -19.565 -5.355
223 2HO* C 21 2HO* C 21 -12.065 -19.668 -6.881
224 H1* C 21 H1* C 21 -10.484 -16.815 -6.236
225 1H4 C 21 H41 C 21 -4.398 -18.395 -5.325
226 2H4 C 21 H42 C 21 -4.678 -18.672 -3.621
227 H5 C 21 H5 C 21 -6.853 -18.504 -2.597
228 H6 C 21 H6 C 21 -9.228 -18.032 -2.984
229 H3T C 21 H3T C 21 -13.281 -19.843 -5.284
Start of MODEL 12
1 1H5* G 1 2H5* G 1 0.718 -17.565 -13.948
2 2H5* G 1 1H5* G 1 0.706 -16.051 -14.876
3 H4* G 1 H4* G 1 -1.446 -16.697 -15.321
4 H3* G 1 H3* G 1 -1.483 -15.274 -12.653
5 H2* G 1 H2* G 1 -3.735 -15.862 -12.290
6 2HO* G 1 2HO* G 1 -3.762 -16.315 -15.096
7 H1* G 1 H1* G 1 -3.696 -18.402 -13.311
8 H8 G 1 H8 G 1 -0.614 -18.410 -11.331
9 H1 G 1 H1 G 1 -5.713 -18.018 -7.524
10 1H2 G 1 H21 G 1 -7.512 -17.499 -8.713
11 2H2 G 1 H22 G 1 -7.454 -17.250 -10.444
12 H5T G 1 H5T G 1 1.366 -16.190 -12.465
13 1H5* G 2 2H5* G 2 -5.269 -14.937 -13.935
14 2H5* G 2 1H5* G 2 -5.264 -13.401 -14.826
15 H4* G 2 H4* G 2 -7.337 -13.277 -13.805
16 H3* G 2 H3* G 2 -5.231 -11.982 -12.077
17 H2* G 2 H2* G 2 -6.649 -11.781 -10.238
18 2HO* G 2 2HO* G 2 -8.851 -11.531 -10.436
19 H1* G 2 H1* G 2 -8.334 -13.981 -10.655
20 H8 G 2 H8 G 2 -4.621 -14.811 -10.647
21 H1 G 2 H1 G 2 -7.150 -14.426 -4.809
22 1H2 G 2 H21 G 2 -9.208 -13.605 -4.927
23 2H2 G 2 H22 G 2 -9.954 -13.154 -6.443
24 1H5* A 3 2H5* A 3 -8.650 -10.104 -11.472
25 2H5* A 3 1H5* A 3 -8.685 -8.367 -11.805
26 H4* A 3 H4* A 3 -9.608 -8.814 -9.602
27 H3* A 3 H3* A 3 -6.994 -7.322 -9.898
28 H2* A 3 H2* A 3 -6.624 -7.390 -7.622
29 2HO* A 3 2HO* A 3 -9.221 -6.567 -7.676
30 H1* A 3 H1* A 3 -8.695 -9.399 -7.056
31 H8 A 3 H8 A 3 -5.219 -10.044 -8.518
32 1H6 A 3 H61 A 3 -3.383 -11.344 -2.795
33 2H6 A 3 H62 A 3 -2.913 -11.303 -4.478
34 H2 A 3 H2 A 3 -7.639 -9.923 -2.593
35 1H5* U 4 2H5* U 4 -10.705 -5.007 -7.415
36 2H5* U 4 1H5* U 4 -10.086 -3.345 -7.459
37 H4* U 4 H4* U 4 -10.917 -4.293 -5.193
38 H3* U 4 H3* U 4 -8.335 -2.799 -5.718
39 H2* U 4 H2* U 4 -7.638 -3.077 -3.499
40 2HO* U 4 2HO* U 4 -10.312 -3.784 -2.782
41 H1* U 4 H1* U 4 -8.804 -5.562 -2.961
42 H3 U 4 H3 U 4 -4.458 -6.362 -2.220
43 H5 U 4 H5 U 4 -4.622 -5.596 -6.403
44 H6 U 4 H6 U 4 -6.974 -5.036 -6.122
45 1H5* G 5 2H5* G 5 -11.582 -0.797 -2.014
46 2H5* G 5 1H5* G 5 -10.682 0.734 -2.010
47 H4* G 5 H4* G 5 -11.227 -0.485 0.265
48 H3* G 5 H3* G 5 -8.763 0.989 -0.627
49 H2* G 5 H2* G 5 -7.469 0.273 1.210
50 2HO* G 5 2HO* G 5 -8.933 -1.075 2.849
51 H1* G 5 H1* G 5 -8.282 -2.307 1.382
52 H8 G 5 H8 G 5 -8.134 -1.138 -2.231
53 H1 G 5 H1 G 5 -2.452 -2.843 0.094
54 1H2 G 5 H21 G 5 -2.604 -3.217 2.275
55 2H2 G 5 H22 G 5 -4.106 -3.047 3.154
56 1H5* C 6 2H5* C 6 -8.235 0.818 3.676
57 2H5* C 6 1H5* C 6 -8.258 2.537 4.087
58 H4* C 6 H4* C 6 -6.187 1.198 4.770
59 H3* C 6 H3* C 6 -6.239 3.847 3.289
60 H2* C 6 H2* C 6 -3.930 3.751 3.017
61 2HO* C 6 2HO* C 6 -2.601 2.804 4.670
62 H1* C 6 H1* C 6 -3.716 0.901 3.657
63 1H4 C 6 H41 C 6 -0.450 1.813 -1.751
64 2H4 C 6 H42 C 6 -1.914 2.285 -2.582
65 H5 C 6 H5 C 6 -4.051 2.482 -1.487
66 H6 C 6 H6 C 6 -5.250 2.266 0.646
67 1H5* C 7 2H5* C 7 -3.836 4.562 7.401
68 2H5* C 7 1H5* C 7 -3.717 6.332 7.437
69 H4* C 7 H4* C 7 -1.532 4.833 7.303
70 H3* C 7 H3* C 7 -2.100 7.376 5.717
71 H2* C 7 H2* C 7 0.063 7.188 4.810
72 2HO* C 7 2HO* C 7 0.851 6.734 7.122
73 H1* C 7 H1* C 7 0.183 4.347 4.868
74 1H4 C 7 H41 C 7 0.071 6.265 -1.194
75 2H4 C 7 H42 C 7 -1.667 6.465 -1.113
76 H5 C 7 H5 C 7 -2.929 6.201 0.929
77 H6 C 7 H6 C 7 -2.786 5.691 3.324
78 1H5* U 8 2H5* U 8 1.282 8.297 9.078
79 2H5* U 8 1H5* U 8 1.453 10.062 9.064
80 H4* U 8 H4* U 8 3.534 8.506 8.572
81 H3* U 8 H3* U 8 2.720 11.106 7.248
82 H2* U 8 H2* U 8 4.506 10.938 5.710
83 2HO* U 8 2HO* U 8 6.333 10.309 6.577
84 H1* U 8 H1* U 8 4.396 8.241 5.229
85 H3 U 8 H3 U 8 3.114 10.402 1.446
86 H5 U 8 H5 U 8 -0.285 10.539 3.927
87 H6 U 8 H6 U 8 1.067 9.599 5.714
88 1H5* C 9 2H5* C 9 7.234 11.885 7.756
89 2H5* C 9 1H5* C 9 7.130 13.600 8.209
90 H4* C 9 H4* C 9 8.348 12.909 5.981
91 H3* C 9 H3* C 9 6.715 15.241 6.733
92 H2* C 9 H2* C 9 5.675 15.596 4.718
93 2HO* C 9 2HO* C 9 7.710 15.020 2.986
94 H1* C 9 H1* C 9 6.795 13.371 3.170
95 1H4 C 9 H41 C 9 0.613 13.608 1.693
96 2H4 C 9 H42 C 9 0.169 13.254 3.348
97 H5 C 9 H5 C 9 1.779 13.040 5.130
98 H6 C 9 H6 C 9 4.154 13.112 5.708
99 1H5* C 10 2H5* C 10 7.455 18.706 5.820
100 2H5* C 10 1H5* C 10 7.560 17.281 4.767
101 H4* C 10 H4* C 10 8.405 20.086 4.277
102 H3* C 10 H3* C 10 6.734 18.254 2.978
103 H2* C 10 H2* C 10 8.420 16.766 2.227
104 2HO* C 10 2HO* C 10 7.433 17.769 0.353
105 H1* C 10 H1* C 10 10.337 19.006 1.619
106 1H4 C 10 H41 C 10 14.189 13.972 1.322
107 2H4 C 10 H42 C 10 13.573 13.345 2.834
108 H5 C 10 H5 C 10 11.797 14.398 4.075
109 H6 C 10 H6 C 10 10.218 16.279 4.126
110 1H5* C 11 2H5* C 11 7.624 19.877 -0.190
111 2H5* C 11 1H5* C 11 6.912 21.251 -1.061
112 H4* C 11 H4* C 11 7.154 19.167 -2.453
113 H3* C 11 H3* C 11 5.048 20.973 -2.486
114 H2* C 11 H2* C 11 3.506 19.735 -1.187
115 2HO* C 11 2HO* C 11 2.116 19.424 -2.741
116 H1* C 11 H1* C 11 4.376 17.094 -2.337
117 1H4 C 11 H41 C 11 0.952 15.389 2.741
118 2H4 C 11 H42 C 11 1.982 16.332 3.794
119 H5 C 11 H5 C 11 3.778 17.717 2.990
120 H6 C 11 H6 C 11 4.979 18.499 1.003
121 1H5* G 12 2H5* G 12 6.211 17.458 -5.249
122 2H5* G 12 1H5* G 12 7.049 17.360 -3.687
123 H4* G 12 H4* G 12 8.329 16.895 -6.409
124 H3* G 12 H3* G 12 7.033 15.080 -4.397
125 H2* G 12 H2* G 12 8.827 13.606 -4.275
126 2HO* G 12 2HO* G 12 9.489 14.589 -6.877
127 H1* G 12 H1* G 12 10.965 15.352 -4.885
128 H8 G 12 H8 G 12 12.261 15.382 -2.666
129 H1 G 12 H1 G 12 7.054 14.340 0.859
130 1H2 G 12 H21 G 12 5.246 14.384 -0.417
131 2H2 G 12 H22 G 12 5.318 14.670 -2.141
132 1H5* A 13 2H5* A 13 8.334 12.770 -6.963
133 2H5* A 13 1H5* A 13 7.496 11.292 -7.480
134 H4* A 13 H4* A 13 9.570 11.007 -5.973
135 H3* A 13 H3* A 13 6.875 9.715 -5.668
136 H2* A 13 H2* A 13 7.362 8.824 -3.539
137 2HO* A 13 2HO* A 13 9.496 8.651 -2.766
138 H1* A 13 H1* A 13 8.709 10.906 -2.446
139 H8 A 13 H8 A 13 5.888 12.114 -4.688
140 1H6 A 13 H61 A 13 2.133 11.380 0.144
141 2H6 A 13 H62 A 13 2.259 11.993 -1.489
142 H2 A 13 H2 A 13 6.147 9.674 1.217
143 1H5* G 14 2H5* G 14 10.273 6.915 -4.861
144 2H5* G 14 1H5* G 14 9.801 5.208 -4.984
145 H4* G 14 H4* G 14 10.584 6.223 -2.667
146 H3* G 14 H3* G 14 8.403 4.208 -3.285
147 H2* G 14 H2* G 14 7.546 4.279 -1.110
148 2HO* G 14 2HO* G 14 8.830 4.457 0.587
149 H1* G 14 H1* G 14 8.054 6.945 -0.449
150 H8 G 14 H8 G 14 6.409 6.825 -3.834
151 H1 G 14 H1 G 14 2.241 5.877 0.880
152 1H2 G 14 H21 G 14 3.312 5.532 2.793
153 2H2 G 14 H22 G 14 5.057 5.535 2.907
154 1H5* U 15 2H5* U 15 12.238 3.313 -1.221
155 2H5* U 15 1H5* U 15 13.446 2.040 -1.506
156 H4* U 15 H4* U 15 12.075 0.400 -0.392
157 H3* U 15 H3* U 15 9.932 2.424 -0.815
158 H2* U 15 H2* U 15 9.388 2.618 1.412
159 2HO* U 15 2HO* U 15 9.579 -0.233 1.498
160 H1* U 15 H1* U 15 11.394 0.688 2.439
161 H3 U 15 H3 U 15 10.359 3.285 6.058
162 H5 U 15 H5 U 15 12.374 5.847 3.381
163 H6 U 15 H6 U 15 12.282 4.061 1.724
164 1H5* G 16 2H5* G 16 9.854 -2.161 -1.176
165 2H5* G 16 1H5* G 16 8.580 -3.162 -1.901
166 H4* G 16 H4* G 16 8.618 -2.328 0.724
167 H3* G 16 H3* G 16 6.410 -3.194 -1.242
168 H2* G 16 H2* G 16 4.712 -2.476 0.198
169 2HO* G 16 2HO* G 16 6.591 -2.468 2.358
170 H1* G 16 H1* G 16 6.058 -0.351 1.508
171 H8 G 16 H8 G 16 6.253 0.202 -2.186
172 H1 G 16 H1 G 16 0.435 1.455 0.137
173 1H2 G 16 H21 G 16 0.267 0.704 2.213
174 2H2 G 16 H22 G 16 1.588 -0.099 3.032
175 1H5* C 17 2H5* C 17 5.669 -4.023 2.980
176 2H5* C 17 1H5* C 17 5.891 -5.780 3.099
177 H4* C 17 H4* C 17 4.195 -5.252 4.677
178 H3* C 17 H3* C 17 3.146 -6.399 2.076
179 H2* C 17 H2* C 17 0.923 -6.186 2.806
180 2HO* C 17 2HO* C 17 1.664 -7.069 4.992
181 H1* C 17 H1* C 17 1.179 -3.779 4.231
182 1H4 C 17 H41 C 17 -1.557 -2.477 -1.375
183 2H4 C 17 H42 C 17 -0.001 -2.535 -2.169
184 H5 C 17 H5 C 17 2.023 -3.147 -1.045
185 H6 C 17 H6 C 17 3.019 -3.851 1.084
186 1H5* A 18 2H5* A 18 1.482 -8.893 5.942
187 2H5* A 18 1H5* A 18 0.988 -10.403 5.154
188 H4* A 18 H4* A 18 -0.757 -8.997 6.544
189 H3* A 18 H3* A 18 -1.079 -10.529 3.977
190 H2* A 18 H2* A 18 -3.223 -9.643 3.539
191 2HO* A 18 2HO* A 18 -4.438 -9.637 5.290
192 H1* A 18 H1* A 18 -2.829 -7.067 4.266
193 H8 A 18 H8 A 18 0.347 -8.379 2.707
194 1H6 A 18 H61 A 18 -2.131 -7.073 -2.787
195 2H6 A 18 H62 A 18 -0.671 -7.554 -1.954
196 H2 A 18 H2 A 18 -5.328 -6.615 0.334
197 1H5* U 19 2H5* U 19 -4.621 -12.521 6.471
198 2H5* U 19 1H5* U 19 -4.684 -14.078 5.621
199 H4* U 19 H4* U 19 -6.718 -12.395 5.473
200 H3* U 19 H3* U 19 -5.484 -14.105 3.299
201 H2* U 19 H2* U 19 -6.936 -13.201 1.682
202 2HO* U 19 2HO* U 19 -8.769 -11.859 2.415
203 H1* U 19 H1* U 19 -6.956 -10.561 2.592
204 H3 U 19 H3 U 19 -4.925 -10.731 -1.503
205 H5 U 19 H5 U 19 -1.944 -11.959 1.283
206 H6 U 19 H6 U 19 -3.670 -11.981 2.986
207 1H5* C 20 2H5* C 20 -10.073 -15.108 3.520
208 2H5* C 20 1H5* C 20 -10.232 -16.695 2.741
209 H4* C 20 H4* C 20 -11.459 -14.586 1.731
210 H3* C 20 H3* C 20 -9.995 -16.816 0.292
211 H2* C 20 H2* C 20 -10.385 -15.772 -1.795
212 2HO* C 20 2HO* C 20 -11.944 -13.663 -0.917
213 H1* C 20 H1* C 20 -9.948 -13.172 -1.034
214 1H4 C 20 H41 C 20 -4.620 -15.558 -3.638
215 2H4 C 20 H42 C 20 -4.065 -16.021 -2.045
216 H5 C 20 H5 C 20 -5.421 -15.814 -0.062
217 H6 C 20 H6 C 20 -7.603 -15.117 0.818
218 1H5* C 21 2H5* C 21 -12.809 -15.752 -2.534
219 2H5* C 21 1H5* C 21 -13.947 -17.113 -2.545
220 H4* C 21 H4* C 21 -13.328 -16.606 -4.838
221 H3* C 21 H3* C 21 -12.110 -19.107 -3.641
222 H2* C 21 H2* C 21 -10.961 -19.542 -5.590
223 2HO* C 21 2HO* C 21 -13.179 -18.268 -6.774
224 H1* C 21 H1* C 21 -10.869 -16.814 -6.545
225 1H4 C 21 H41 C 21 -4.804 -18.518 -5.726
226 2H4 C 21 H42 C 21 -5.055 -18.751 -4.011
227 H5 C 21 H5 C 21 -7.202 -18.512 -2.945
228 H6 C 21 H6 C 21 -9.575 -17.994 -3.295
229 H3T C 21 H3T C 21 -14.236 -18.492 -5.447
Start of MODEL 13
1 1H5* G 1 2H5* G 1 0.875 -16.221 -11.712
2 2H5* G 1 1H5* G 1 0.956 -14.608 -12.450
3 H4* G 1 H4* G 1 -0.417 -15.686 -13.970
4 H3* G 1 H3* G 1 -1.713 -13.826 -12.414
5 H2* G 1 H2* G 1 -2.786 -15.249 -10.876
6 2HO* G 1 2HO* G 1 -4.743 -16.119 -12.451
7 H1* G 1 H1* G 1 -3.310 -17.448 -12.827
8 H8 G 1 H8 G 1 -0.786 -18.742 -10.739
9 H1 G 1 H1 G 1 -6.059 -18.128 -7.209
10 1H2 G 1 H21 G 1 -7.509 -16.800 -8.235
11 2H2 G 1 H22 G 1 -7.178 -16.066 -9.788
12 H5T G 1 H5T G 1 -0.420 -13.834 -10.961
13 1H5* G 2 2H5* G 2 -5.926 -14.945 -13.888
14 2H5* G 2 1H5* G 2 -6.081 -13.550 -14.974
15 H4* G 2 H4* G 2 -7.952 -13.155 -13.727
16 H3* G 2 H3* G 2 -5.614 -11.953 -12.241
17 H2* G 2 H2* G 2 -6.859 -11.596 -10.298
18 2HO* G 2 2HO* G 2 -9.232 -11.599 -10.425
19 H1* G 2 H1* G 2 -8.672 -13.719 -10.475
20 H8 G 2 H8 G 2 -4.942 -14.553 -10.790
21 H1 G 2 H1 G 2 -7.090 -14.407 -4.789
22 1H2 G 2 H21 G 2 -9.167 -13.633 -4.747
23 2H2 G 2 H22 G 2 -10.022 -13.152 -6.196
24 1H5* A 3 2H5* A 3 -9.057 -9.855 -11.496
25 2H5* A 3 1H5* A 3 -8.939 -8.112 -11.757
26 H4* A 3 H4* A 3 -9.878 -8.638 -9.552
27 H3* A 3 H3* A 3 -7.232 -7.201 -9.855
28 H2* A 3 H2* A 3 -6.844 -7.329 -7.581
29 2HO* A 3 2HO* A 3 -8.301 -6.224 -6.529
30 H1* A 3 H1* A 3 -8.924 -9.331 -7.047
31 H8 A 3 H8 A 3 -5.519 -10.034 -8.625
32 1H6 A 3 H61 A 3 -3.484 -11.347 -2.971
33 2H6 A 3 H62 A 3 -3.076 -11.314 -4.671
34 H2 A 3 H2 A 3 -7.710 -9.869 -2.615
35 1H5* U 4 2H5* U 4 -10.458 -5.739 -7.005
36 2H5* U 4 1H5* U 4 -10.635 -3.993 -7.273
37 H4* U 4 H4* U 4 -10.870 -4.419 -4.910
38 H3* U 4 H3* U 4 -8.302 -3.088 -5.810
39 H2* U 4 H2* U 4 -7.452 -3.088 -3.623
40 2HO* U 4 2HO* U 4 -10.087 -3.622 -2.651
41 H1* U 4 H1* U 4 -8.603 -5.457 -2.692
42 H3 U 4 H3 U 4 -4.287 -6.483 -2.229
43 H5 U 4 H5 U 4 -4.643 -5.758 -6.405
44 H6 U 4 H6 U 4 -6.963 -5.135 -6.012
45 1H5* G 5 2H5* G 5 -11.276 -0.665 -2.318
46 2H5* G 5 1H5* G 5 -10.375 0.864 -2.299
47 H4* G 5 H4* G 5 -10.952 -0.361 -0.034
48 H3* G 5 H3* G 5 -8.488 1.128 -0.889
49 H2* G 5 H2* G 5 -7.201 0.400 0.948
50 2HO* G 5 2HO* G 5 -8.511 -0.882 2.650
51 H1* G 5 H1* G 5 -8.016 -2.180 1.113
52 H8 G 5 H8 G 5 -7.832 -1.025 -2.502
53 H1 G 5 H1 G 5 -2.175 -2.740 -0.117
54 1H2 G 5 H21 G 5 -2.344 -3.093 2.066
55 2H2 G 5 H22 G 5 -3.852 -2.906 2.933
56 1H5* C 6 2H5* C 6 -8.096 0.990 3.517
57 2H5* C 6 1H5* C 6 -8.096 2.722 3.874
58 H4* C 6 H4* C 6 -6.069 1.317 4.633
59 H3* C 6 H3* C 6 -6.062 3.992 3.199
60 H2* C 6 H2* C 6 -3.752 3.875 2.948
61 2HO* C 6 2HO* C 6 -3.145 4.009 5.042
62 H1* C 6 H1* C 6 -3.572 1.019 3.589
63 1H4 C 6 H41 C 6 -0.144 1.898 -1.720
64 2H4 C 6 H42 C 6 -1.575 2.407 -2.589
65 H5 C 6 H5 C 6 -3.736 2.640 -1.552
66 H6 C 6 H6 C 6 -4.998 2.432 0.544
67 1H5* C 7 2H5* C 7 -3.697 4.496 7.400
68 2H5* C 7 1H5* C 7 -3.471 6.255 7.477
69 H4* C 7 H4* C 7 -1.379 4.626 7.371
70 H3* C 7 H3* C 7 -1.751 7.243 5.852
71 H2* C 7 H2* C 7 0.414 6.953 4.972
72 2HO* C 7 2HO* C 7 0.880 5.012 7.022
73 H1* C 7 H1* C 7 0.360 4.123 4.890
74 1H4 C 7 H41 C 7 0.281 6.278 -1.085
75 2H4 C 7 H42 C 7 -1.446 6.540 -0.977
76 H5 C 7 H5 C 7 -2.698 6.258 1.067
77 H6 C 7 H6 C 7 -2.551 5.665 3.442
78 1H5* U 8 2H5* U 8 1.566 8.212 9.345
79 2H5* U 8 1H5* U 8 1.618 9.984 9.274
80 H4* U 8 H4* U 8 3.800 8.561 8.828
81 H3* U 8 H3* U 8 2.811 11.053 7.413
82 H2* U 8 H2* U 8 4.599 10.947 5.872
83 2HO* U 8 2HO* U 8 6.511 10.169 6.422
84 H1* U 8 H1* U 8 4.677 8.230 5.495
85 H3 U 8 H3 U 8 3.230 10.032 1.602
86 H5 U 8 H5 U 8 -0.120 10.288 4.144
87 H6 U 8 H6 U 8 1.286 9.499 5.961
88 1H5* C 9 2H5* C 9 7.125 12.351 8.119
89 2H5* C 9 1H5* C 9 6.871 14.082 8.424
90 H4* C 9 H4* C 9 8.199 13.299 6.284
91 H3* C 9 H3* C 9 6.364 15.561 6.795
92 H2* C 9 H2* C 9 5.470 15.738 4.689
93 2HO* C 9 2HO* C 9 8.174 15.772 4.173
94 H1* C 9 H1* C 9 6.676 13.411 3.404
95 1H4 C 9 H41 C 9 0.484 13.407 1.908
96 2H4 C 9 H42 C 9 0.055 13.080 3.572
97 H5 C 9 H5 C 9 1.676 12.975 5.358
98 H6 C 9 H6 C 9 4.045 13.155 5.925
99 1H5* C 10 2H5* C 10 6.893 18.972 5.660
100 2H5* C 10 1H5* C 10 7.190 17.542 4.650
101 H4* C 10 H4* C 10 7.878 20.406 4.167
102 H3* C 10 H3* C 10 6.301 18.522 2.837
103 H2* C 10 H2* C 10 8.050 17.066 2.165
104 2HO* C 10 2HO* C 10 7.490 17.471 0.144
105 H1* C 10 H1* C 10 9.918 19.349 1.562
106 1H4 C 10 H41 C 10 13.899 14.404 1.470
107 2H4 C 10 H42 C 10 13.271 13.806 2.989
108 H5 C 10 H5 C 10 11.448 14.847 4.167
109 H6 C 10 H6 C 10 9.824 16.691 4.139
110 1H5* C 11 2H5* C 11 7.351 19.718 -0.208
111 2H5* C 11 1H5* C 11 6.936 21.090 -1.254
112 H4* C 11 H4* C 11 7.125 18.974 -2.536
113 H3* C 11 H3* C 11 5.134 20.860 -2.845
114 H2* C 11 H2* C 11 3.454 19.775 -1.560
115 2HO* C 11 2HO* C 11 3.271 19.423 -4.204
116 H1* C 11 H1* C 11 4.233 17.056 -2.602
117 1H4 C 11 H41 C 11 0.367 15.597 2.230
118 2H4 C 11 H42 C 11 1.340 16.536 3.340
119 H5 C 11 H5 C 11 3.244 17.838 2.650
120 H6 C 11 H6 C 11 4.624 18.526 0.748
121 1H5* G 12 2H5* G 12 6.330 17.124 -5.148
122 2H5* G 12 1H5* G 12 7.138 17.058 -3.570
123 H4* G 12 H4* G 12 8.465 16.461 -6.241
124 H3* G 12 H3* G 12 7.010 14.765 -4.242
125 H2* G 12 H2* G 12 8.723 13.215 -3.994
126 2HO* G 12 2HO* G 12 10.237 12.826 -5.672
127 H1* G 12 H1* G 12 10.970 14.826 -4.602
128 H8 G 12 H8 G 12 12.205 14.936 -2.350
129 H1 G 12 H1 G 12 6.894 14.062 1.061
130 1H2 G 12 H21 G 12 5.123 14.088 -0.265
131 2H2 G 12 H22 G 12 5.245 14.320 -1.995
132 1H5* A 13 2H5* A 13 8.374 12.584 -6.818
133 2H5* A 13 1H5* A 13 7.729 11.070 -7.485
134 H4* A 13 H4* A 13 9.644 10.789 -5.846
135 H3* A 13 H3* A 13 6.949 9.467 -5.625
136 H2* A 13 H2* A 13 7.420 8.561 -3.496
137 2HO* A 13 2HO* A 13 10.149 9.171 -4.091
138 H1* A 13 H1* A 13 8.735 10.661 -2.379
139 H8 A 13 H8 A 13 5.831 11.699 -4.626
140 1H6 A 13 H61 A 13 2.193 10.986 0.295
141 2H6 A 13 H62 A 13 2.264 11.534 -1.365
142 H2 A 13 H2 A 13 6.303 9.526 1.371
143 1H5* G 14 2H5* G 14 10.414 6.807 -4.843
144 2H5* G 14 1H5* G 14 10.057 5.070 -4.911
145 H4* G 14 H4* G 14 10.778 6.198 -2.632
146 H3* G 14 H3* G 14 8.773 4.016 -3.207
147 H2* G 14 H2* G 14 7.760 4.139 -1.117
148 2HO* G 14 2HO* G 14 10.280 5.159 -0.276
149 H1* G 14 H1* G 14 8.222 6.819 -0.428
150 H8 G 14 H8 G 14 6.565 6.570 -3.812
151 H1 G 14 H1 G 14 2.444 5.765 0.965
152 1H2 G 14 H21 G 14 3.531 5.498 2.882
153 2H2 G 14 H22 G 14 5.277 5.521 2.982
154 1H5* U 15 2H5* U 15 12.587 3.275 -0.894
155 2H5* U 15 1H5* U 15 13.682 1.887 -1.063
156 H4* U 15 H4* U 15 12.188 0.441 0.085
157 H3* U 15 H3* U 15 10.142 2.488 -0.695
158 H2* U 15 H2* U 15 9.230 2.630 1.413
159 2HO* U 15 2HO* U 15 8.730 0.732 2.566
160 H1* U 15 H1* U 15 11.227 1.005 2.825
161 H3 U 15 H3 U 15 9.390 4.083 5.742
162 H5 U 15 H5 U 15 12.162 6.186 3.357
163 H6 U 15 H6 U 15 12.343 4.206 1.951
164 1H5* G 16 2H5* G 16 10.076 -1.942 -1.049
165 2H5* G 16 1H5* G 16 8.969 -3.063 -1.868
166 H4* G 16 H4* G 16 8.736 -2.428 0.754
167 H3* G 16 H3* G 16 6.653 -3.105 -1.418
168 H2* G 16 H2* G 16 4.875 -2.579 0.017
169 2HO* G 16 2HO* G 16 5.703 -2.225 2.430
170 H1* G 16 H1* G 16 6.088 -0.526 1.526
171 H8 G 16 H8 G 16 6.462 0.090 -2.185
172 H1 G 16 H1 G 16 0.625 1.492 -0.002
173 1H2 G 16 H21 G 16 0.394 0.755 2.073
174 2H2 G 16 H22 G 16 1.675 -0.078 2.923
175 1H5* C 17 2H5* C 17 5.990 -4.376 2.933
176 2H5* C 17 1H5* C 17 5.923 -6.143 2.782
177 H4* C 17 H4* C 17 4.363 -5.380 4.509
178 H3* C 17 H3* C 17 3.249 -6.549 1.945
179 H2* C 17 H2* C 17 1.041 -6.222 2.685
180 2HO* C 17 2HO* C 17 0.542 -6.489 4.733
181 H1* C 17 H1* C 17 1.411 -3.788 4.033
182 1H4 C 17 H41 C 17 -1.261 -2.465 -1.598
183 2H4 C 17 H42 C 17 0.281 -2.653 -2.397
184 H5 C 17 H5 C 17 2.268 -3.373 -1.267
185 H6 C 17 H6 C 17 3.229 -4.077 0.877
186 1H5* A 18 2H5* A 18 1.570 -8.601 5.929
187 2H5* A 18 1H5* A 18 1.189 -10.251 5.394
188 H4* A 18 H4* A 18 -0.666 -8.941 6.613
189 H3* A 18 H3* A 18 -0.895 -10.498 4.050
190 H2* A 18 H2* A 18 -3.092 -9.748 3.626
191 2HO* A 18 2HO* A 18 -3.540 -10.038 6.053
192 H1* A 18 H1* A 18 -2.840 -7.147 4.341
193 H8 A 18 H8 A 18 0.369 -8.377 2.744
194 1H6 A 18 H61 A 18 -2.215 -7.120 -2.717
195 2H6 A 18 H62 A 18 -0.735 -7.581 -1.906
196 H2 A 18 H2 A 18 -5.365 -6.691 0.455
197 1H5* U 19 2H5* U 19 -4.674 -12.141 6.429
198 2H5* U 19 1H5* U 19 -4.707 -13.763 5.705
199 H4* U 19 H4* U 19 -6.736 -12.112 5.347
200 H3* U 19 H3* U 19 -5.400 -13.943 3.333
201 H2* U 19 H2* U 19 -6.831 -13.175 1.631
202 2HO* U 19 2HO* U 19 -8.710 -13.345 3.155
203 H1* U 19 H1* U 19 -6.968 -10.485 2.418
204 H3 U 19 H3 U 19 -4.957 -10.670 -1.671
205 H5 U 19 H5 U 19 -1.939 -11.848 1.092
206 H6 U 19 H6 U 19 -3.645 -11.858 2.817
207 1H5* C 20 2H5* C 20 -9.915 -15.047 3.774
208 2H5* C 20 1H5* C 20 -10.179 -16.625 3.006
209 H4* C 20 H4* C 20 -11.372 -14.469 2.061
210 H3* C 20 H3* C 20 -10.066 -16.746 0.541
211 H2* C 20 H2* C 20 -10.534 -15.682 -1.517
212 2HO* C 20 2HO* C 20 -12.444 -14.266 0.030
213 H1* C 20 H1* C 20 -10.010 -13.087 -0.761
214 1H4 C 20 H41 C 20 -4.903 -15.438 -3.781
215 2H4 C 20 H42 C 20 -4.255 -15.978 -2.248
216 H5 C 20 H5 C 20 -5.478 -15.837 -0.175
217 H6 C 20 H6 C 20 -7.587 -15.149 0.872
218 1H5* C 21 2H5* C 21 -12.951 -15.130 -1.908
219 2H5* C 21 1H5* C 21 -14.150 -16.400 -2.224
220 H4* C 21 H4* C 21 -13.288 -15.305 -4.308
221 H3* C 21 H3* C 21 -12.798 -18.249 -3.789
222 H2* C 21 H2* C 21 -11.682 -18.454 -5.800
223 2HO* C 21 2HO* C 21 -12.701 -17.713 -7.487
224 H1* C 21 H1* C 21 -10.852 -15.691 -5.997
225 1H4 C 21 H41 C 21 -5.474 -19.061 -5.700
226 2H4 C 21 H42 C 21 -5.874 -19.641 -4.099
227 H5 C 21 H5 C 21 -7.947 -19.125 -2.987
228 H6 C 21 H6 C 21 -10.086 -17.942 -3.168
229 H3T C 21 H3T C 21 -14.615 -18.432 -5.015
Start of MODEL 14
1 1H5* G 1 2H5* G 1 1.228 -17.539 -13.884
2 2H5* G 1 1H5* G 1 1.352 -15.953 -14.672
3 H4* G 1 H4* G 1 -0.815 -16.413 -15.251
4 H3* G 1 H3* G 1 -0.889 -15.238 -12.464
5 H2* G 1 H2* G 1 -3.202 -15.685 -12.284
6 2HO* G 1 2HO* G 1 -3.749 -16.684 -14.756
7 H1* G 1 H1* G 1 -3.250 -18.138 -13.472
8 H8 G 1 H8 G 1 -0.289 -18.620 -11.438
9 H1 G 1 H1 G 1 -5.374 -17.803 -7.678
10 1H2 G 1 H21 G 1 -7.064 -16.973 -8.854
11 2H2 G 1 H22 G 1 -6.937 -16.623 -10.563
12 H5T G 1 H5T G 1 0.923 -16.562 -11.945
13 1H5* G 2 2H5* G 2 -4.645 -14.669 -13.985
14 2H5* G 2 1H5* G 2 -4.600 -12.998 -14.580
15 H4* G 2 H4* G 2 -6.734 -13.220 -13.584
16 H3* G 2 H3* G 2 -4.689 -11.796 -11.886
17 H2* G 2 H2* G 2 -6.059 -11.757 -9.999
18 2HO* G 2 2HO* G 2 -8.408 -12.381 -11.438
19 H1* G 2 H1* G 2 -7.597 -14.064 -10.442
20 H8 G 2 H8 G 2 -3.858 -14.692 -10.517
21 H1 G 2 H1 G 2 -6.260 -14.464 -4.618
22 1H2 G 2 H21 G 2 -8.352 -13.728 -4.680
23 2H2 G 2 H22 G 2 -9.152 -13.296 -6.173
24 1H5* A 3 2H5* A 3 -7.926 -10.087 -11.187
25 2H5* A 3 1H5* A 3 -8.235 -8.399 -11.616
26 H4* A 3 H4* A 3 -8.882 -8.638 -9.348
27 H3* A 3 H3* A 3 -6.262 -7.229 -9.876
28 H2* A 3 H2* A 3 -5.740 -7.230 -7.623
29 2HO* A 3 2HO* A 3 -8.473 -6.587 -7.444
30 H1* A 3 H1* A 3 -7.864 -9.128 -6.860
31 H8 A 3 H8 A 3 -4.404 -9.821 -8.393
32 1H6 A 3 H61 A 3 -2.563 -11.311 -2.719
33 2H6 A 3 H62 A 3 -2.100 -11.227 -4.403
34 H2 A 3 H2 A 3 -6.800 -9.836 -2.457
35 1H5* U 4 2H5* U 4 -9.994 -4.964 -7.623
36 2H5* U 4 1H5* U 4 -9.537 -3.254 -7.499
37 H4* U 4 H4* U 4 -10.490 -4.416 -5.392
38 H3* U 4 H3* U 4 -8.019 -2.682 -5.578
39 H2* U 4 H2* U 4 -7.455 -3.078 -3.344
40 2HO* U 4 2HO* U 4 -9.014 -2.904 -1.938
41 H1* U 4 H1* U 4 -8.447 -5.674 -3.057
42 H3 U 4 H3 U 4 -4.088 -6.052 -2.020
43 H5 U 4 H5 U 4 -4.073 -5.244 -6.200
44 H6 U 4 H6 U 4 -6.476 -4.900 -6.056
45 1H5* G 5 2H5* G 5 -11.408 -1.855 -1.882
46 2H5* G 5 1H5* G 5 -11.248 -0.089 -1.961
47 H4* G 5 H4* G 5 -11.328 -1.018 0.381
48 H3* G 5 H3* G 5 -9.126 0.713 -0.708
49 H2* G 5 H2* G 5 -7.738 0.422 1.176
50 2HO* G 5 2HO* G 5 -10.156 -0.392 2.440
51 H1* G 5 H1* G 5 -8.136 -2.214 1.659
52 H8 G 5 H8 G 5 -8.146 -1.263 -2.047
53 H1 G 5 H1 G 5 -2.339 -2.437 0.299
54 1H2 G 5 H21 G 5 -2.451 -2.721 2.497
55 2H2 G 5 H22 G 5 -3.957 -2.620 3.381
56 1H5* C 6 2H5* C 6 -8.761 1.046 3.552
57 2H5* C 6 1H5* C 6 -8.904 2.782 3.854
58 H4* C 6 H4* C 6 -6.756 1.564 4.622
59 H3* C 6 H3* C 6 -7.024 4.213 3.177
60 H2* C 6 H2* C 6 -4.751 4.281 2.763
61 2HO* C 6 2HO* C 6 -4.027 4.592 4.793
62 H1* C 6 H1* C 6 -4.252 1.489 3.547
63 1H4 C 6 H41 C 6 -1.045 2.344 -1.898
64 2H4 C 6 H42 C 6 -2.526 2.741 -2.740
65 H5 C 6 H5 C 6 -4.668 2.895 -1.644
66 H6 C 6 H6 C 6 -5.853 2.698 0.495
67 1H5* C 7 2H5* C 7 -4.960 5.198 7.487
68 2H5* C 7 1H5* C 7 -4.874 6.971 7.462
69 H4* C 7 H4* C 7 -2.658 5.516 7.483
70 H3* C 7 H3* C 7 -3.242 8.008 5.838
71 H2* C 7 H2* C 7 -1.076 7.867 4.931
72 2HO* C 7 2HO* C 7 -0.276 5.855 6.755
73 H1* C 7 H1* C 7 -0.897 5.079 4.825
74 1H4 C 7 H41 C 7 -1.796 7.136 -1.116
75 2H4 C 7 H42 C 7 -3.453 7.573 -0.761
76 H5 C 7 H5 C 7 -4.425 7.381 1.442
77 H6 C 7 H6 C 7 -4.010 6.734 3.771
78 1H5* U 8 2H5* U 8 0.637 7.629 8.434
79 2H5* U 8 1H5* U 8 1.303 9.254 8.687
80 H4* U 8 H4* U 8 2.807 7.339 7.669
81 H3* U 8 H3* U 8 2.642 10.257 6.832
82 H2* U 8 H2* U 8 4.245 9.855 5.130
83 2HO* U 8 2HO* U 8 4.706 7.200 6.005
84 H1* U 8 H1* U 8 3.304 7.432 4.269
85 H3 U 8 H3 U 8 2.608 10.635 1.089
86 H5 U 8 H5 U 8 -0.598 11.083 3.786
87 H6 U 8 H6 U 8 0.494 9.474 5.245
88 1H5* C 9 2H5* C 9 7.195 9.844 6.929
89 2H5* C 9 1H5* C 9 7.570 11.442 7.607
90 H4* C 9 H4* C 9 8.339 10.821 5.156
91 H3* C 9 H3* C 9 7.394 13.370 6.372
92 H2* C 9 H2* C 9 6.622 14.336 4.429
93 2HO* C 9 2HO* C 9 7.896 14.381 2.621
94 H1* C 9 H1* C 9 6.697 12.054 2.637
95 1H4 C 9 H41 C 9 0.867 14.598 2.259
96 2H4 C 9 H42 C 9 0.464 13.937 3.828
97 H5 C 9 H5 C 9 2.058 12.784 5.227
98 H6 C 9 H6 C 9 4.371 12.021 5.416
99 1H5* C 10 2H5* C 10 8.877 16.353 5.892
100 2H5* C 10 1H5* C 10 9.062 15.064 4.684
101 H4* C 10 H4* C 10 10.630 17.637 4.987
102 H3* C 10 H3* C 10 8.544 16.882 3.260
103 H2* C 10 H2* C 10 9.698 15.210 2.056
104 2HO* C 10 2HO* C 10 9.301 16.802 0.498
105 H1* C 10 H1* C 10 12.309 16.704 2.138
106 1H4 C 10 H41 C 10 14.238 10.943 0.311
107 2H4 C 10 H42 C 10 13.268 10.166 1.542
108 H5 C 10 H5 C 10 11.821 11.373 3.041
109 H6 C 10 H6 C 10 10.989 13.597 3.684
110 1H5* C 11 2H5* C 11 9.886 18.841 0.645
111 2H5* C 11 1H5* C 11 9.683 20.540 0.173
112 H4* C 11 H4* C 11 9.124 18.833 -1.626
113 H3* C 11 H3* C 11 7.915 21.282 -1.152
114 H2* C 11 H2* C 11 6.028 20.492 0.050
115 2HO* C 11 2HO* C 11 5.522 20.388 -2.730
116 H1* C 11 H1* C 11 5.756 18.045 -1.689
117 1H4 C 11 H41 C 11 1.901 16.749 3.192
118 2H4 C 11 H42 C 11 3.233 16.883 4.318
119 H5 C 11 H5 C 11 5.451 17.557 3.665
120 H6 C 11 H6 C 11 6.873 18.242 1.789
121 1H5* G 12 2H5* G 12 7.605 18.176 -4.536
122 2H5* G 12 1H5* G 12 8.341 17.431 -3.104
123 H4* G 12 H4* G 12 9.358 17.139 -5.956
124 H3* G 12 H3* G 12 7.442 15.555 -4.273
125 H2* G 12 H2* G 12 8.523 13.524 -4.590
126 2HO* G 12 2HO* G 12 10.197 14.098 -6.679
127 H1* G 12 H1* G 12 11.176 14.419 -5.027
128 H8 G 12 H8 G 12 12.423 13.542 -2.958
129 H1 G 12 H1 G 12 7.196 13.508 0.687
130 1H2 G 12 H21 G 12 5.506 14.435 -0.388
131 2H2 G 12 H22 G 12 5.654 15.071 -2.012
132 1H5* A 13 2H5* A 13 6.463 11.829 -8.437
133 2H5* A 13 1H5* A 13 5.423 12.244 -7.058
134 H4* A 13 H4* A 13 8.020 10.693 -7.079
135 H3* A 13 H3* A 13 5.152 10.220 -6.268
136 H2* A 13 H2* A 13 5.791 9.004 -4.347
137 2HO* A 13 2HO* A 13 8.242 8.769 -5.737
138 H1* A 13 H1* A 13 7.838 10.569 -3.497
139 H8 A 13 H8 A 13 5.494 13.111 -4.745
140 1H6 A 13 H61 A 13 1.928 12.188 0.191
141 2H6 A 13 H62 A 13 2.242 13.232 -1.178
142 H2 A 13 H2 A 13 4.926 8.846 0.001
143 1H5* G 14 2H5* G 14 7.630 7.201 -6.347
144 2H5* G 14 1H5* G 14 7.425 5.443 -6.478
145 H4* G 14 H4* G 14 8.091 6.551 -4.176
146 H3* G 14 H3* G 14 6.923 4.082 -4.850
147 H2* G 14 H2* G 14 4.715 4.519 -4.195
148 2HO* G 14 2HO* G 14 5.604 4.497 -1.528
149 H1* G 14 H1* G 14 5.466 6.433 -2.014
150 H8 G 14 H8 G 14 3.745 7.185 -5.362
151 H1 G 14 H1 G 14 -0.211 6.852 -0.377
152 1H2 G 14 H21 G 14 0.891 6.165 1.410
153 2H2 G 14 H22 G 14 2.597 5.785 1.381
154 1H5* U 15 2H5* U 15 9.466 5.022 -0.977
155 2H5* U 15 1H5* U 15 10.897 4.135 -1.543
156 H4* U 15 H4* U 15 11.406 4.029 0.669
157 H3* U 15 H3* U 15 9.256 1.924 0.366
158 H2* U 15 H2* U 15 9.561 1.445 2.690
159 2HO* U 15 2HO* U 15 11.990 2.670 2.223
160 H1* U 15 H1* U 15 9.511 4.049 3.472
161 H3 U 15 H3 U 15 5.430 2.709 4.759
162 H5 U 15 H5 U 15 5.130 2.853 0.558
163 H6 U 15 H6 U 15 7.507 3.307 0.466
164 1H5* G 16 2H5* G 16 9.318 -1.650 -0.963
165 2H5* G 16 1H5* G 16 8.101 -0.727 -1.864
166 H4* G 16 H4* G 16 8.333 -1.029 1.173
167 H3* G 16 H3* G 16 6.437 -2.088 -1.027
168 H2* G 16 H2* G 16 4.573 -1.799 0.363
169 2HO* G 16 2HO* G 16 4.922 -1.455 2.711
170 H1* G 16 H1* G 16 5.423 0.475 1.811
171 H8 G 16 H8 G 16 5.699 0.774 -1.988
172 H1 G 16 H1 G 16 -0.146 1.983 0.275
173 1H2 G 16 H21 G 16 -0.251 1.455 2.424
174 2H2 G 16 H22 G 16 1.118 0.810 3.302
175 1H5* C 17 2H5* C 17 5.932 -3.336 3.319
176 2H5* C 17 1H5* C 17 6.062 -5.105 3.254
177 H4* C 17 H4* C 17 4.403 -4.471 4.923
178 H3* C 17 H3* C 17 3.420 -5.784 2.371
179 H2* C 17 H2* C 17 1.191 -5.671 3.120
180 2HO* C 17 2HO* C 17 0.650 -5.450 5.281
181 H1* C 17 H1* C 17 1.325 -3.179 4.404
182 1H4 C 17 H41 C 17 -1.485 -2.265 -1.233
183 2H4 C 17 H42 C 17 0.050 -2.407 -2.057
184 H5 C 17 H5 C 17 2.097 -2.952 -0.933
185 H6 C 17 H6 C 17 3.138 -3.476 1.225
186 1H5* A 18 2H5* A 18 1.772 -8.164 6.360
187 2H5* A 18 1H5* A 18 1.712 -9.782 5.635
188 H4* A 18 H4* A 18 -0.413 -8.925 6.819
189 H3* A 18 H3* A 18 -0.219 -10.213 4.105
190 H2* A 18 H2* A 18 -2.498 -9.813 3.621
191 2HO* A 18 2HO* A 18 -3.650 -10.361 5.361
192 H1* A 18 H1* A 18 -2.742 -7.302 4.620
193 H8 A 18 H8 A 18 0.674 -7.827 3.061
194 1H6 A 18 H61 A 18 -1.886 -6.323 -2.340
195 2H6 A 18 H62 A 18 -0.382 -6.653 -1.507
196 H2 A 18 H2 A 18 -5.175 -6.762 0.699
197 1H5* U 19 2H5* U 19 -3.372 -12.524 6.530
198 2H5* U 19 1H5* U 19 -3.551 -14.138 5.811
199 H4* U 19 H4* U 19 -5.598 -12.544 5.748
200 H3* U 19 H3* U 19 -4.465 -14.158 3.452
201 H2* U 19 H2* U 19 -6.043 -13.261 1.951
202 2HO* U 19 2HO* U 19 -7.999 -12.627 2.582
203 H1* U 19 H1* U 19 -6.050 -10.639 2.888
204 H3 U 19 H3 U 19 -4.154 -10.684 -1.270
205 H5 U 19 H5 U 19 -1.093 -12.065 1.351
206 H6 U 19 H6 U 19 -2.746 -12.094 3.125
207 1H5* C 20 2H5* C 20 -8.981 -15.180 3.802
208 2H5* C 20 1H5* C 20 -9.153 -16.782 3.056
209 H4* C 20 H4* C 20 -10.419 -14.700 2.041
210 H3* C 20 H3* C 20 -8.982 -16.951 0.612
211 H2* C 20 H2* C 20 -9.400 -15.951 -1.487
212 2HO* C 20 2HO* C 20 -10.882 -13.925 -1.330
213 H1* C 20 H1* C 20 -9.020 -13.317 -0.780
214 1H4 C 20 H41 C 20 -3.684 -15.523 -3.510
215 2H4 C 20 H42 C 20 -3.072 -15.956 -1.930
216 H5 C 20 H5 C 20 -4.386 -15.793 0.085
217 H6 C 20 H6 C 20 -6.569 -15.180 1.017
218 1H5* C 21 2H5* C 21 -11.814 -15.666 -1.970
219 2H5* C 21 1H5* C 21 -13.016 -16.960 -2.151
220 H4* C 21 H4* C 21 -12.354 -16.166 -4.362
221 H3* C 21 H3* C 21 -11.306 -18.886 -3.528
222 H2* C 21 H2* C 21 -10.233 -19.129 -5.558
223 2HO* C 21 2HO* C 21 -12.124 -17.239 -6.575
224 H1* C 21 H1* C 21 -9.897 -16.313 -6.092
225 1H4 C 21 H41 C 21 -4.038 -18.730 -5.569
226 2H4 C 21 H42 C 21 -4.292 -19.077 -3.874
227 H5 C 21 H5 C 21 -6.389 -18.707 -2.750
228 H6 C 21 H6 C 21 -8.699 -17.925 -3.008
229 H3T C 21 H3T C 21 -13.137 -19.530 -4.464
Start of MODEL 15
1 1H5* G 1 2H5* G 1 1.028 -17.222 -13.760
2 2H5* G 1 1H5* G 1 0.882 -15.764 -14.764
3 H4* G 1 H4* G 1 -1.246 -16.558 -15.063
4 H3* G 1 H3* G 1 -1.235 -14.980 -12.484
5 H2* G 1 H2* G 1 -3.418 -15.679 -11.958
6 2HO* G 1 2HO* G 1 -3.739 -16.742 -14.579
7 H1* G 1 H1* G 1 -3.299 -18.261 -12.878
8 H8 G 1 H8 G 1 -0.144 -17.948 -11.003
9 H1 G 1 H1 G 1 -5.164 -17.902 -7.071
10 1H2 G 1 H21 G 1 -7.030 -17.584 -8.230
11 2H2 G 1 H22 G 1 -7.035 -17.384 -9.967
12 H5T G 1 H5T G 1 1.665 -15.041 -12.881
13 1H5* G 2 2H5* G 2 -5.132 -15.019 -13.615
14 2H5* G 2 1H5* G 2 -5.307 -13.507 -14.528
15 H4* G 2 H4* G 2 -7.315 -13.564 -13.364
16 H3* G 2 H3* G 2 -5.229 -11.967 -11.891
17 H2* G 2 H2* G 2 -6.474 -11.832 -9.931
18 2HO* G 2 2HO* G 2 -8.675 -12.065 -11.700
19 H1* G 2 H1* G 2 -8.017 -14.174 -10.131
20 H8 G 2 H8 G 2 -4.223 -14.578 -10.328
21 H1 G 2 H1 G 2 -6.490 -14.477 -4.373
22 1H2 G 2 H21 G 2 -8.640 -13.920 -4.388
23 2H2 G 2 H22 G 2 -9.511 -13.576 -5.865
24 1H5* A 3 2H5* A 3 -8.602 -10.425 -11.001
25 2H5* A 3 1H5* A 3 -8.946 -8.751 -11.449
26 H4* A 3 H4* A 3 -9.503 -9.010 -9.139
27 H3* A 3 H3* A 3 -7.025 -7.436 -9.848
28 H2* A 3 H2* A 3 -6.344 -7.373 -7.639
29 2HO* A 3 2HO* A 3 -8.890 -7.529 -6.498
30 H1* A 3 H1* A 3 -8.296 -9.371 -6.692
31 H8 A 3 H8 A 3 -4.904 -9.854 -8.448
32 1H6 A 3 H61 A 3 -2.631 -11.250 -2.910
33 2H6 A 3 H62 A 3 -2.278 -11.131 -4.617
34 H2 A 3 H2 A 3 -6.930 -10.051 -2.380
35 1H5* U 4 2H5* U 4 -10.101 -6.256 -7.160
36 2H5* U 4 1H5* U 4 -10.782 -4.627 -7.344
37 H4* U 4 H4* U 4 -10.867 -5.029 -5.025
38 H3* U 4 H3* U 4 -8.456 -3.380 -5.840
39 H2* U 4 H2* U 4 -7.695 -3.314 -3.619
40 2HO* U 4 2HO* U 4 -9.114 -3.794 -1.854
41 H1* U 4 H1* U 4 -8.544 -5.846 -2.798
42 H3 U 4 H3 U 4 -4.148 -6.327 -2.221
43 H5 U 4 H5 U 4 -4.468 -5.463 -6.377
44 H6 U 4 H6 U 4 -6.860 -5.167 -6.044
45 1H5* G 5 2H5* G 5 -11.640 -1.535 -2.363
46 2H5* G 5 1H5* G 5 -11.104 0.157 -2.363
47 H4* G 5 H4* G 5 -11.333 -1.063 -0.079
48 H3* G 5 H3* G 5 -9.080 0.685 -1.051
49 H2* G 5 H2* G 5 -7.733 0.208 0.828
50 2HO* G 5 2HO* G 5 -9.780 -1.220 2.157
51 H1* G 5 H1* G 5 -8.241 -2.452 1.084
52 H8 G 5 H8 G 5 -8.086 -1.350 -2.556
53 H1 G 5 H1 G 5 -2.351 -2.425 0.006
54 1H2 G 5 H21 G 5 -2.547 -2.780 2.184
55 2H2 G 5 H22 G 5 -4.090 -2.749 3.007
56 1H5* C 6 2H5* C 6 -8.732 0.732 3.305
57 2H5* C 6 1H5* C 6 -8.922 2.456 3.651
58 H4* C 6 H4* C 6 -6.775 1.277 4.461
59 H3* C 6 H3* C 6 -7.051 3.940 3.043
60 H2* C 6 H2* C 6 -4.771 4.061 2.704
61 2HO* C 6 2HO* C 6 -4.821 3.809 5.279
62 H1* C 6 H1* C 6 -4.237 1.271 3.470
63 1H4 C 6 H41 C 6 -0.863 2.269 -1.846
64 2H4 C 6 H42 C 6 -2.326 2.621 -2.740
65 H5 C 6 H5 C 6 -4.509 2.703 -1.719
66 H6 C 6 H6 C 6 -5.761 2.460 0.376
67 1H5* C 7 2H5* C 7 -4.929 4.784 7.273
68 2H5* C 7 1H5* C 7 -4.915 6.556 7.372
69 H4* C 7 H4* C 7 -2.642 5.207 7.237
70 H3* C 7 H3* C 7 -3.377 7.764 5.760
71 H2* C 7 H2* C 7 -1.245 7.766 4.780
72 2HO* C 7 2HO* C 7 0.412 6.266 5.725
73 H1* C 7 H1* C 7 -0.900 4.969 4.643
74 1H4 C 7 H41 C 7 -1.666 7.069 -1.303
75 2H4 C 7 H42 C 7 -3.354 7.421 -1.006
76 H5 C 7 H5 C 7 -4.396 7.155 1.156
77 H6 C 7 H6 C 7 -4.039 6.500 3.493
78 1H5* U 8 2H5* U 8 0.531 7.505 8.341
79 2H5* U 8 1H5* U 8 1.146 9.147 8.609
80 H4* U 8 H4* U 8 2.691 7.302 7.524
81 H3* U 8 H3* U 8 2.413 10.226 6.724
82 H2* U 8 H2* U 8 4.046 9.886 5.031
83 2HO* U 8 2HO* U 8 5.575 8.396 5.203
84 H1* U 8 H1* U 8 3.157 7.447 4.146
85 H3 U 8 H3 U 8 2.468 10.714 1.025
86 H5 U 8 H5 U 8 -0.828 10.989 3.629
87 H6 U 8 H6 U 8 0.274 9.382 5.082
88 1H5* C 9 2H5* C 9 6.938 10.230 7.581
89 2H5* C 9 1H5* C 9 7.144 11.911 8.110
90 H4* C 9 H4* C 9 8.232 11.085 5.849
91 H3* C 9 H3* C 9 7.021 13.681 6.654
92 H2* C 9 H2* C 9 6.420 14.379 4.545
93 2HO* C 9 2HO* C 9 7.916 13.838 2.741
94 H1* C 9 H1* C 9 6.839 11.931 3.038
95 1H4 C 9 H41 C 9 0.970 14.037 1.715
96 2H4 C 9 H42 C 9 0.420 13.533 3.297
97 H5 C 9 H5 C 9 1.892 12.647 4.988
98 H6 C 9 H6 C 9 4.201 12.050 5.524
99 1H5* C 10 2H5* C 10 8.248 16.481 5.603
100 2H5* C 10 1H5* C 10 9.018 15.083 4.828
101 H4* C 10 H4* C 10 10.283 17.829 5.229
102 H3* C 10 H3* C 10 8.422 17.108 3.255
103 H2* C 10 H2* C 10 9.689 15.400 2.219
104 2HO* C 10 2HO* C 10 9.699 16.589 0.445
105 H1* C 10 H1* C 10 12.288 16.870 2.604
106 1H4 C 10 H41 C 10 14.317 11.070 1.010
107 2H4 C 10 H42 C 10 13.264 10.323 2.190
108 H5 C 10 H5 C 10 11.717 11.563 3.553
109 H6 C 10 H6 C 10 10.839 13.797 4.079
110 1H5* C 11 2H5* C 11 10.008 18.637 0.820
111 2H5* C 11 1H5* C 11 10.092 20.280 0.153
112 H4* C 11 H4* C 11 9.561 18.592 -1.587
113 H3* C 11 H3* C 11 8.347 21.055 -1.325
114 H2* C 11 H2* C 11 6.395 20.322 -0.178
115 2HO* C 11 2HO* C 11 6.113 20.634 -2.850
116 H1* C 11 H1* C 11 6.190 17.846 -1.888
117 1H4 C 11 H41 C 11 1.964 16.686 2.716
118 2H4 C 11 H42 C 11 3.196 16.879 3.943
119 H5 C 11 H5 C 11 5.460 17.538 3.450
120 H6 C 11 H6 C 11 7.031 18.155 1.672
121 1H5* G 12 2H5* G 12 8.036 17.858 -4.664
122 2H5* G 12 1H5* G 12 8.785 17.274 -3.165
123 H4* G 12 H4* G 12 9.754 16.623 -5.976
124 H3* G 12 H3* G 12 7.804 15.299 -4.121
125 H2* G 12 H2* G 12 8.839 13.221 -4.163
126 2HO* G 12 2HO* G 12 9.770 14.064 -6.722
127 H1* G 12 H1* G 12 11.510 13.979 -4.726
128 H8 G 12 H8 G 12 12.812 13.639 -2.484
129 H1 G 12 H1 G 12 7.427 13.364 0.908
130 1H2 G 12 H21 G 12 5.705 13.966 -0.348
131 2H2 G 12 H22 G 12 5.880 14.437 -2.023
132 1H5* A 13 2H5* A 13 7.347 13.128 -7.692
133 2H5* A 13 1H5* A 13 5.881 12.128 -7.724
134 H4* A 13 H4* A 13 8.247 11.189 -6.849
135 H3* A 13 H3* A 13 5.397 10.548 -6.136
136 H2* A 13 H2* A 13 5.988 9.323 -4.216
137 2HO* A 13 2HO* A 13 8.703 9.364 -4.324
138 H1* A 13 H1* A 13 7.943 10.907 -3.224
139 H8 A 13 H8 A 13 5.584 13.397 -4.583
140 1H6 A 13 H61 A 13 1.794 12.293 0.145
141 2H6 A 13 H62 A 13 2.136 13.360 -1.197
142 H2 A 13 H2 A 13 4.935 9.083 0.100
143 1H5* G 14 2H5* G 14 7.974 7.589 -6.200
144 2H5* G 14 1H5* G 14 7.793 5.835 -6.387
145 H4* G 14 H4* G 14 8.326 6.894 -4.025
146 H3* G 14 H3* G 14 7.196 4.425 -4.832
147 H2* G 14 H2* G 14 4.988 4.784 -4.170
148 2HO* G 14 2HO* G 14 4.699 4.182 -2.017
149 H1* G 14 H1* G 14 5.644 6.712 -1.975
150 H8 G 14 H8 G 14 3.997 7.453 -5.361
151 H1 G 14 H1 G 14 -0.097 6.843 -0.513
152 1H2 G 14 H21 G 14 0.980 6.173 1.299
153 2H2 G 14 H22 G 14 2.702 5.875 1.317
154 1H5* U 15 2H5* U 15 9.955 5.186 -0.999
155 2H5* U 15 1H5* U 15 11.201 4.069 -1.593
156 H4* U 15 H4* U 15 11.769 4.058 0.630
157 H3* U 15 H3* U 15 9.528 2.049 0.349
158 H2* U 15 H2* U 15 9.796 1.562 2.671
159 2HO* U 15 2HO* U 15 11.792 1.640 3.376
160 H1* U 15 H1* U 15 9.917 4.162 3.465
161 H3 U 15 H3 U 15 5.799 2.953 4.809
162 H5 U 15 H5 U 15 5.407 3.370 0.634
163 H6 U 15 H6 U 15 7.808 3.671 0.502
164 1H5* G 16 2H5* G 16 9.399 -1.576 -0.826
165 2H5* G 16 1H5* G 16 8.238 -0.624 -1.771
166 H4* G 16 H4* G 16 8.484 -0.701 1.281
167 H3* G 16 H3* G 16 6.566 -1.954 -0.792
168 H2* G 16 H2* G 16 4.710 -1.500 0.563
169 2HO* G 16 2HO* G 16 5.689 -0.664 2.903
170 H1* G 16 H1* G 16 5.591 0.896 1.775
171 H8 G 16 H8 G 16 5.926 1.033 -1.999
172 H1 G 16 H1 G 16 -0.046 2.011 0.041
173 1H2 G 16 H21 G 16 -0.203 1.512 2.196
174 2H2 G 16 H22 G 16 1.161 0.943 3.131
175 1H5* C 17 2H5* C 17 5.549 -2.741 3.238
176 2H5* C 17 1H5* C 17 6.146 -4.387 3.522
177 H4* C 17 H4* C 17 4.260 -4.316 4.892
178 H3* C 17 H3* C 17 3.549 -5.451 2.171
179 H2* C 17 H2* C 17 1.287 -5.643 2.793
180 2HO* C 17 2HO* C 17 1.034 -4.998 5.299
181 H1* C 17 H1* C 17 1.081 -3.283 4.288
182 1H4 C 17 H41 C 17 -1.421 -2.133 -1.458
183 2H4 C 17 H42 C 17 0.173 -2.063 -2.172
184 H5 C 17 H5 C 17 2.186 -2.506 -0.943
185 H6 C 17 H6 C 17 3.126 -3.117 1.239
186 1H5* A 18 2H5* A 18 2.041 -7.711 5.871
187 2H5* A 18 1H5* A 18 2.127 -9.445 5.506
188 H4* A 18 H4* A 18 -0.049 -8.735 6.529
189 H3* A 18 H3* A 18 0.159 -10.082 3.842
190 H2* A 18 H2* A 18 -2.160 -9.866 3.440
191 2HO* A 18 2HO* A 18 -3.343 -10.309 5.148
192 H1* A 18 H1* A 18 -2.536 -7.344 4.364
193 H8 A 18 H8 A 18 0.844 -7.797 2.674
194 1H6 A 18 H61 A 18 -1.995 -6.441 -2.627
195 2H6 A 18 H62 A 18 -0.447 -6.726 -1.863
196 H2 A 18 H2 A 18 -5.128 -6.885 0.569
197 1H5* U 19 2H5* U 19 -2.903 -12.233 6.465
198 2H5* U 19 1H5* U 19 -3.193 -13.862 5.820
199 H4* U 19 H4* U 19 -5.167 -12.157 5.840
200 H3* U 19 H3* U 19 -4.304 -13.963 3.567
201 H2* U 19 H2* U 19 -5.972 -13.081 2.153
202 2HO* U 19 2HO* U 19 -7.784 -13.028 3.375
203 H1* U 19 H1* U 19 -5.747 -10.411 2.896
204 H3 U 19 H3 U 19 -4.183 -10.847 -1.378
205 H5 U 19 H5 U 19 -0.996 -12.186 1.112
206 H6 U 19 H6 U 19 -2.516 -12.025 2.997
207 1H5* C 20 2H5* C 20 -8.899 -14.994 4.175
208 2H5* C 20 1H5* C 20 -8.925 -16.649 3.537
209 H4* C 20 H4* C 20 -10.378 -14.761 2.402
210 H3* C 20 H3* C 20 -8.731 -16.940 1.077
211 H2* C 20 H2* C 20 -9.341 -16.118 -1.059
212 2HO* C 20 2HO* C 20 -11.030 -14.485 -1.231
213 H1* C 20 H1* C 20 -9.176 -13.428 -0.506
214 1H4 C 20 H41 C 20 -3.779 -15.308 -3.335
215 2H4 C 20 H42 C 20 -3.082 -15.655 -1.767
216 H5 C 20 H5 C 20 -4.332 -15.526 0.289
217 H6 C 20 H6 C 20 -6.521 -15.036 1.284
218 1H5* C 21 2H5* C 21 -11.644 -16.475 -1.474
219 2H5* C 21 1H5* C 21 -12.697 -17.904 -1.458
220 H4* C 21 H4* C 21 -12.188 -17.433 -3.762
221 H3* C 21 H3* C 21 -10.612 -19.727 -2.566
222 H2* C 21 H2* C 21 -9.511 -20.065 -4.568
223 2HO* C 21 2HO* C 21 -11.363 -18.548 -6.079
224 H1* C 21 H1* C 21 -9.750 -17.359 -5.541
225 1H4 C 21 H41 C 21 -3.520 -18.379 -4.817
226 2H4 C 21 H42 C 21 -3.711 -18.586 -3.091
227 H5 C 21 H5 C 21 -5.850 -18.544 -1.983
228 H6 C 21 H6 C 21 -8.271 -18.296 -2.292
229 H3T C 21 H3T C 21 -13.019 -19.632 -3.012
Start of MODEL 16
1 1H5* G 1 2H5* G 1 0.919 -16.517 -13.886
2 2H5* G 1 1H5* G 1 0.919 -14.892 -14.599
3 H4* G 1 H4* G 1 -1.148 -15.549 -15.336
4 H3* G 1 H3* G 1 -1.511 -14.516 -12.518
5 H2* G 1 H2* G 1 -3.768 -15.215 -12.492
6 2HO* G 1 2HO* G 1 -3.883 -16.077 -15.138
7 H1* G 1 H1* G 1 -3.478 -17.610 -13.757
8 H8 G 1 H8 G 1 -0.602 -17.958 -11.641
9 H1 G 1 H1 G 1 -5.822 -17.519 -8.006
10 1H2 G 1 H21 G 1 -7.519 -16.743 -9.204
11 2H2 G 1 H22 G 1 -7.364 -16.334 -10.898
12 H5T G 1 H5T G 1 0.733 -14.034 -12.685
13 1H5* G 2 2H5* G 2 -5.194 -14.185 -14.138
14 2H5* G 2 1H5* G 2 -5.236 -12.514 -14.737
15 H4* G 2 H4* G 2 -7.397 -12.834 -13.864
16 H3* G 2 H3* G 2 -5.532 -11.404 -11.970
17 H2* G 2 H2* G 2 -7.039 -11.495 -10.190
18 2HO* G 2 2HO* G 2 -9.376 -12.224 -11.073
19 H1* G 2 H1* G 2 -8.394 -13.867 -10.802
20 H8 G 2 H8 G 2 -4.656 -14.387 -10.729
21 H1 G 2 H1 G 2 -7.242 -14.180 -4.907
22 1H2 G 2 H21 G 2 -9.348 -13.488 -5.038
23 2H2 G 2 H22 G 2 -10.110 -13.078 -6.557
24 1H5* A 3 2H5* A 3 -8.790 -9.691 -11.357
25 2H5* A 3 1H5* A 3 -9.021 -7.978 -11.730
26 H4* A 3 H4* A 3 -9.712 -8.279 -9.478
27 H3* A 3 H3* A 3 -7.037 -6.941 -9.921
28 H2* A 3 H2* A 3 -6.565 -7.015 -7.660
29 2HO* A 3 2HO* A 3 -9.370 -6.584 -7.343
30 H1* A 3 H1* A 3 -8.743 -8.884 -6.995
31 H8 A 3 H8 A 3 -5.304 -9.676 -8.516
32 1H6 A 3 H61 A 3 -3.484 -11.134 -2.828
33 2H6 A 3 H62 A 3 -3.020 -11.078 -4.511
34 H2 A 3 H2 A 3 -7.692 -9.583 -2.579
35 1H5* U 4 2H5* U 4 -10.403 -5.038 -7.279
36 2H5* U 4 1H5* U 4 -10.267 -3.276 -7.429
37 H4* U 4 H4* U 4 -10.748 -3.972 -5.106
38 H3* U 4 H3* U 4 -8.133 -2.598 -5.787
39 H2* U 4 H2* U 4 -7.403 -2.758 -3.561
40 2HO* U 4 2HO* U 4 -9.066 -3.365 -1.894
41 H1* U 4 H1* U 4 -8.606 -5.183 -2.874
42 H3 U 4 H3 U 4 -4.299 -6.161 -2.218
43 H5 U 4 H5 U 4 -4.476 -5.354 -6.391
44 H6 U 4 H6 U 4 -6.811 -4.736 -6.086
45 1H5* G 5 2H5* G 5 -11.070 -0.689 -2.095
46 2H5* G 5 1H5* G 5 -10.351 0.934 -2.047
47 H4* G 5 H4* G 5 -10.647 -0.377 0.190
48 H3* G 5 H3* G 5 -8.282 1.222 -0.769
49 H2* G 5 H2* G 5 -6.919 0.531 1.030
50 2HO* G 5 2HO* G 5 -8.482 -0.926 2.607
51 H1* G 5 H1* G 5 -7.673 -2.083 1.202
52 H8 G 5 H8 G 5 -7.486 -0.833 -2.391
53 H1 G 5 H1 G 5 -1.853 -2.663 -0.042
54 1H2 G 5 H21 G 5 -2.028 -3.074 2.128
55 2H2 G 5 H22 G 5 -3.536 -2.897 2.998
56 1H5* C 6 2H5* C 6 -7.818 0.975 3.550
57 2H5* C 6 1H5* C 6 -7.873 2.679 4.016
58 H4* C 6 H4* C 6 -5.815 1.343 4.734
59 H3* C 6 H3* C 6 -5.869 4.035 3.342
60 H2* C 6 H2* C 6 -3.569 3.968 3.043
61 2HO* C 6 2HO* C 6 -3.597 3.776 5.555
62 H1* C 6 H1* C 6 -3.302 1.116 3.698
63 1H4 C 6 H41 C 6 0.099 2.048 -1.619
64 2H4 C 6 H42 C 6 -1.322 2.617 -2.464
65 H5 C 6 H5 C 6 -3.475 2.861 -1.413
66 H6 C 6 H6 C 6 -4.737 2.605 0.679
67 1H5* C 7 2H5* C 7 -3.510 4.688 7.540
68 2H5* C 7 1H5* C 7 -3.388 6.458 7.568
69 H4* C 7 H4* C 7 -1.204 4.953 7.464
70 H3* C 7 H3* C 7 -1.754 7.499 5.876
71 H2* C 7 H2* C 7 0.428 7.318 4.997
72 2HO* C 7 2HO* C 7 0.876 5.813 7.347
73 H1* C 7 H1* C 7 0.517 4.497 4.933
74 1H4 C 7 H41 C 7 0.125 6.554 -1.059
75 2H4 C 7 H42 C 7 -1.590 6.850 -0.873
76 H5 C 7 H5 C 7 -2.751 6.601 1.231
77 H6 C 7 H6 C 7 -2.504 6.016 3.600
78 1H5* U 8 2H5* U 8 1.756 8.250 9.150
79 2H5* U 8 1H5* U 8 1.932 10.014 9.182
80 H4* U 8 H4* U 8 4.008 8.473 8.639
81 H3* U 8 H3* U 8 3.187 11.103 7.375
82 H2* U 8 H2* U 8 4.969 10.969 5.828
83 2HO* U 8 2HO* U 8 6.392 10.180 7.694
84 H1* U 8 H1* U 8 4.885 8.266 5.318
85 H3 U 8 H3 U 8 3.660 10.383 1.501
86 H5 U 8 H5 U 8 0.253 10.642 3.964
87 H6 U 8 H6 U 8 1.568 9.692 5.770
88 1H5* C 9 2H5* C 9 7.799 11.673 7.170
89 2H5* C 9 1H5* C 9 7.745 13.314 7.848
90 H4* C 9 H4* C 9 8.567 12.925 5.366
91 H3* C 9 H3* C 9 7.102 15.119 6.684
92 H2* C 9 H2* C 9 5.733 15.702 4.934
93 2HO* C 9 2HO* C 9 6.699 16.191 2.922
94 H1* C 9 H1* C 9 6.595 13.709 2.956
95 1H4 C 9 H41 C 9 0.271 14.007 2.425
96 2H4 C 9 H42 C 9 0.067 13.537 4.097
97 H5 C 9 H5 C 9 1.915 13.192 5.608
98 H6 C 9 H6 C 9 4.349 13.215 5.835
99 1H5* C 10 2H5* C 10 8.241 19.347 5.486
100 2H5* C 10 1H5* C 10 6.781 18.622 4.785
101 H4* C 10 H4* C 10 7.873 20.736 3.649
102 H3* C 10 H3* C 10 6.133 18.758 2.693
103 H2* C 10 H2* C 10 7.756 17.342 1.716
104 2HO* C 10 2HO* C 10 8.044 18.939 -0.482
105 H1* C 10 H1* C 10 9.430 19.653 0.754
106 1H4 C 10 H41 C 10 13.580 14.902 0.091
107 2H4 C 10 H42 C 10 13.133 14.217 1.639
108 H5 C 10 H5 C 10 11.412 15.140 3.043
109 H6 C 10 H6 C 10 9.730 16.921 3.266
110 1H5* C 11 2H5* C 11 6.494 19.990 -0.558
111 2H5* C 11 1H5* C 11 5.743 21.304 -1.486
112 H4* C 11 H4* C 11 5.811 19.155 -2.750
113 H3* C 11 H3* C 11 3.694 20.923 -2.675
114 H2* C 11 H2* C 11 2.398 19.797 -1.026
115 2HO* C 11 2HO* C 11 0.750 19.362 -2.271
116 H1* C 11 H1* C 11 3.083 17.092 -2.171
117 1H4 C 11 H41 C 11 0.367 15.626 3.387
118 2H4 C 11 H42 C 11 1.596 16.521 4.248
119 H5 C 11 H5 C 11 3.303 17.814 3.156
120 H6 C 11 H6 C 11 4.207 18.526 0.995
121 1H5* G 12 2H5* G 12 5.085 17.195 -5.270
122 2H5* G 12 1H5* G 12 5.926 17.199 -3.708
123 H4* G 12 H4* G 12 7.279 17.164 -6.433
124 H3* G 12 H3* G 12 6.428 15.005 -4.511
125 H2* G 12 H2* G 12 8.499 13.932 -4.555
126 2HO* G 12 2HO* G 12 9.798 15.105 -6.615
127 H1* G 12 H1* G 12 10.185 16.153 -5.034
128 H8 G 12 H8 G 12 11.602 15.708 -2.972
129 H1 G 12 H1 G 12 6.605 14.738 0.864
130 1H2 G 12 H21 G 12 4.718 14.953 -0.265
131 2H2 G 12 H22 G 12 4.677 15.341 -1.969
132 1H5* A 13 2H5* A 13 9.059 11.963 -7.431
133 2H5* A 13 1H5* A 13 7.628 10.924 -7.280
134 H4* A 13 H4* A 13 10.073 10.561 -5.980
135 H3* A 13 H3* A 13 7.291 9.435 -5.725
136 H2* A 13 H2* A 13 7.710 8.546 -3.578
137 2HO* A 13 2HO* A 13 10.248 8.993 -3.040
138 H1* A 13 H1* A 13 9.159 10.579 -2.511
139 H8 A 13 H8 A 13 6.342 11.818 -4.766
140 1H6 A 13 H61 A 13 2.641 11.344 0.140
141 2H6 A 13 H62 A 13 2.759 11.895 -1.516
142 H2 A 13 H2 A 13 6.628 9.579 1.221
143 1H5* G 14 2H5* G 14 10.529 6.550 -4.776
144 2H5* G 14 1H5* G 14 10.020 4.851 -4.840
145 H4* G 14 H4* G 14 10.774 5.939 -2.549
146 H3* G 14 H3* G 14 8.613 3.932 -3.169
147 H2* G 14 H2* G 14 7.530 4.164 -1.137
148 2HO* G 14 2HO* G 14 10.022 5.102 -0.093
149 H1* G 14 H1* G 14 8.247 6.789 -0.413
150 H8 G 14 H8 G 14 6.608 6.676 -3.808
151 H1 G 14 H1 G 14 2.387 6.165 0.927
152 1H2 G 14 H21 G 14 3.443 5.831 2.856
153 2H2 G 14 H22 G 14 5.185 5.735 2.968
154 1H5* U 15 2H5* U 15 10.504 3.019 0.829
155 2H5* U 15 1H5* U 15 11.952 2.723 -0.155
156 H4* U 15 H4* U 15 12.707 1.387 1.486
157 H3* U 15 H3* U 15 10.307 -0.195 0.592
158 H2* U 15 H2* U 15 10.598 -1.674 2.412
159 2HO* U 15 2HO* U 15 13.193 -0.500 2.575
160 H1* U 15 H1* U 15 11.258 0.231 4.284
161 H3 U 15 H3 U 15 7.187 -1.907 4.966
162 H5 U 15 H5 U 15 6.420 1.779 3.074
163 H6 U 15 H6 U 15 8.805 1.969 2.630
164 1H5* G 16 2H5* G 16 9.833 -3.202 -1.315
165 2H5* G 16 1H5* G 16 8.697 -2.094 -2.108
166 H4* G 16 H4* G 16 8.948 -2.707 0.879
167 H3* G 16 H3* G 16 6.894 -3.236 -1.365
168 H2* G 16 H2* G 16 5.097 -2.813 0.077
169 2HO* G 16 2HO* G 16 6.911 -3.178 2.266
170 H1* G 16 H1* G 16 6.274 -0.866 1.751
171 H8 G 16 H8 G 16 6.677 -0.079 -1.946
172 H1 G 16 H1 G 16 0.896 1.418 0.324
173 1H2 G 16 H21 G 16 0.648 0.607 2.368
174 2H2 G 16 H22 G 16 1.904 -0.299 3.181
175 1H5* C 17 2H5* C 17 6.315 -4.907 2.940
176 2H5* C 17 1H5* C 17 5.989 -6.627 2.648
177 H4* C 17 H4* C 17 4.585 -5.671 4.472
178 H3* C 17 H3* C 17 3.330 -6.769 1.939
179 H2* C 17 H2* C 17 1.174 -6.272 2.741
180 2HO* C 17 2HO* C 17 1.940 -5.490 5.316
181 H1* C 17 H1* C 17 1.771 -3.855 4.037
182 1H4 C 17 H41 C 17 -0.970 -2.481 -1.550
183 2H4 C 17 H42 C 17 0.545 -2.751 -2.379
184 H5 C 17 H5 C 17 2.515 -3.553 -1.282
185 H6 C 17 H6 C 17 3.487 -4.278 0.851
186 1H5* A 18 2H5* A 18 1.320 -8.686 6.140
187 2H5* A 18 1H5* A 18 0.913 -10.242 5.391
188 H4* A 18 H4* A 18 -0.948 -8.919 6.657
189 H3* A 18 H3* A 18 -1.108 -10.358 4.015
190 H2* A 18 H2* A 18 -3.292 -9.555 3.584
191 2HO* A 18 2HO* A 18 -4.465 -9.729 5.379
192 H1* A 18 H1* A 18 -2.986 -6.991 4.392
193 H8 A 18 H8 A 18 0.231 -8.246 2.839
194 1H6 A 18 H61 A 18 -2.171 -6.755 -2.642
195 2H6 A 18 H62 A 18 -0.725 -7.278 -1.808
196 H2 A 18 H2 A 18 -5.395 -6.346 0.457
197 1H5* U 19 2H5* U 19 -4.581 -12.561 6.407
198 2H5* U 19 1H5* U 19 -4.670 -14.070 5.477
199 H4* U 19 H4* U 19 -6.700 -12.379 5.460
200 H3* U 19 H3* U 19 -5.510 -13.954 3.162
201 H2* U 19 H2* U 19 -7.025 -12.970 1.646
202 2HO* U 19 2HO* U 19 -8.941 -12.072 2.273
203 H1* U 19 H1* U 19 -6.980 -10.383 2.680
204 H3 U 19 H3 U 19 -5.020 -10.435 -1.463
205 H5 U 19 H5 U 19 -2.004 -11.771 1.231
206 H6 U 19 H6 U 19 -3.701 -11.835 2.963
207 1H5* C 20 2H5* C 20 -10.056 -15.131 3.384
208 2H5* C 20 1H5* C 20 -10.129 -16.703 2.566
209 H4* C 20 H4* C 20 -11.468 -14.640 1.607
210 H3* C 20 H3* C 20 -9.880 -16.745 0.109
211 H2* C 20 H2* C 20 -10.341 -15.670 -1.949
212 2HO* C 20 2HO* C 20 -12.574 -14.870 -0.593
213 H1* C 20 H1* C 20 -10.048 -13.071 -1.116
214 1H4 C 20 H41 C 20 -4.604 -15.097 -3.794
215 2H4 C 20 H42 C 20 -4.004 -15.522 -2.205
216 H5 C 20 H5 C 20 -5.355 -15.411 -0.212
217 H6 C 20 H6 C 20 -7.572 -14.870 0.687
218 1H5* C 21 2H5* C 21 -12.675 -15.509 -2.604
219 2H5* C 21 1H5* C 21 -13.800 -16.871 -2.787
220 H4* C 21 H4* C 21 -13.110 -16.053 -4.992
221 H3* C 21 H3* C 21 -12.027 -18.740 -4.104
222 H2* C 21 H2* C 21 -10.890 -18.980 -6.098
223 2HO* C 21 2HO* C 21 -12.692 -18.723 -7.457
224 H1* C 21 H1* C 21 -10.627 -16.158 -6.667
225 1H4 C 21 H41 C 21 -4.702 -18.367 -6.022
226 2H4 C 21 H42 C 21 -4.985 -18.753 -4.339
227 H5 C 21 H5 C 21 -7.121 -18.473 -3.261
228 H6 C 21 H6 C 21 -9.448 -17.762 -3.564
229 H3T C 21 H3T C 21 -14.073 -19.081 -4.574
Start of MODEL 17
1 1H5* G 1 2H5* G 1 1.803 -16.045 -11.143
2 2H5* G 1 1H5* G 1 1.938 -14.428 -11.863
3 H4* G 1 H4* G 1 0.702 -15.428 -13.520
4 H3* G 1 H3* G 1 -0.828 -13.746 -12.006
5 H2* G 1 H2* G 1 -1.813 -15.308 -10.533
6 2HO* G 1 2HO* G 1 -3.634 -16.221 -12.313
7 H1* G 1 H1* G 1 -2.152 -17.462 -12.570
8 H8 G 1 H8 G 1 0.385 -18.774 -10.575
9 H1 G 1 H1 G 1 -4.799 -18.342 -6.888
10 1H2 G 1 H21 G 1 -6.288 -16.993 -7.826
11 2H2 G 1 H22 G 1 -6.004 -16.200 -9.359
12 H5T G 1 H5T G 1 1.158 -14.745 -9.557
13 1H5* G 2 2H5* G 2 -4.876 -15.063 -13.543
14 2H5* G 2 1H5* G 2 -5.096 -13.710 -14.669
15 H4* G 2 H4* G 2 -7.000 -13.387 -13.449
16 H3* G 2 H3* G 2 -4.741 -11.989 -12.030
17 H2* G 2 H2* G 2 -5.923 -11.710 -10.046
18 2HO* G 2 2HO* G 2 -8.312 -11.822 -10.107
19 H1* G 2 H1* G 2 -7.685 -13.889 -10.171
20 H8 G 2 H8 G 2 -3.897 -14.495 -10.474
21 H1 G 2 H1 G 2 -6.128 -14.613 -4.502
22 1H2 G 2 H21 G 2 -8.256 -13.984 -4.478
23 2H2 G 2 H22 G 2 -9.120 -13.535 -5.931
24 1H5* A 3 2H5* A 3 -8.270 -10.085 -11.344
25 2H5* A 3 1H5* A 3 -8.320 -8.348 -11.667
26 H4* A 3 H4* A 3 -9.175 -8.863 -9.432
27 H3* A 3 H3* A 3 -6.668 -7.221 -9.837
28 H2* A 3 H2* A 3 -6.182 -7.277 -7.577
29 2HO* A 3 2HO* A 3 -7.779 -6.938 -6.043
30 H1* A 3 H1* A 3 -8.118 -9.390 -6.917
31 H8 A 3 H8 A 3 -4.687 -9.816 -8.552
32 1H6 A 3 H61 A 3 -2.542 -11.239 -2.968
33 2H6 A 3 H62 A 3 -2.149 -11.118 -4.667
34 H2 A 3 H2 A 3 -6.842 -10.015 -2.530
35 1H5* U 4 2H5* U 4 -10.022 -6.146 -7.175
36 2H5* U 4 1H5* U 4 -10.521 -4.452 -7.365
37 H4* U 4 H4* U 4 -10.794 -5.037 -5.048
38 H3* U 4 H3* U 4 -8.456 -3.237 -5.727
39 H2* U 4 H2* U 4 -7.713 -3.229 -3.502
40 2HO* U 4 2HO* U 4 -9.149 -3.871 -1.772
41 H1* U 4 H1* U 4 -8.471 -5.808 -2.758
42 H3 U 4 H3 U 4 -4.061 -6.102 -2.151
43 H5 U 4 H5 U 4 -4.399 -5.263 -6.308
44 H6 U 4 H6 U 4 -6.800 -5.048 -5.983
45 1H5* G 5 2H5* G 5 -11.788 -1.483 -2.045
46 2H5* G 5 1H5* G 5 -11.151 0.169 -2.166
47 H4* G 5 H4* G 5 -11.355 -0.997 0.189
48 H3* G 5 H3* G 5 -9.198 0.784 -0.924
49 H2* G 5 H2* G 5 -7.746 0.396 0.888
50 2HO* G 5 2HO* G 5 -9.127 -1.081 2.616
51 H1* G 5 H1* G 5 -8.212 -2.262 1.308
52 H8 G 5 H8 G 5 -8.143 -1.307 -2.381
53 H1 G 5 H1 G 5 -2.358 -2.339 0.090
54 1H2 G 5 H21 G 5 -2.506 -2.590 2.289
55 2H2 G 5 H22 G 5 -4.030 -2.502 3.145
56 1H5* C 6 2H5* C 6 -8.751 0.954 3.439
57 2H5* C 6 1H5* C 6 -8.938 2.684 3.757
58 H4* C 6 H4* C 6 -6.769 1.511 4.533
59 H3* C 6 H3* C 6 -7.089 4.166 3.110
60 H2* C 6 H2* C 6 -4.822 4.286 2.690
61 2HO* C 6 2HO* C 6 -3.709 2.871 4.696
62 H1* C 6 H1* C 6 -4.253 1.506 3.472
63 1H4 C 6 H41 C 6 -1.042 2.450 -1.954
64 2H4 C 6 H42 C 6 -2.523 2.841 -2.798
65 H5 C 6 H5 C 6 -4.671 2.959 -1.710
66 H6 C 6 H6 C 6 -5.863 2.720 0.421
67 1H5* C 7 2H5* C 7 -5.069 5.131 7.486
68 2H5* C 7 1H5* C 7 -4.979 6.904 7.466
69 H4* C 7 H4* C 7 -2.766 5.442 7.547
70 H3* C 7 H3* C 7 -3.310 7.954 5.922
71 H2* C 7 H2* C 7 -1.154 7.817 5.004
72 2HO* C 7 2HO* C 7 0.355 6.179 6.044
73 H1* C 7 H1* C 7 -0.954 5.035 4.877
74 1H4 C 7 H41 C 7 -1.874 7.140 -1.044
75 2H4 C 7 H42 C 7 -3.534 7.559 -0.682
76 H5 C 7 H5 C 7 -4.504 7.336 1.517
77 H6 C 7 H6 C 7 -4.084 6.668 3.840
78 1H5* U 8 2H5* U 8 0.614 7.578 8.504
79 2H5* U 8 1H5* U 8 1.257 9.213 8.738
80 H4* U 8 H4* U 8 2.769 7.311 7.696
81 H3* U 8 H3* U 8 2.567 10.231 6.870
82 H2* U 8 H2* U 8 4.164 9.843 5.156
83 2HO* U 8 2HO* U 8 4.629 7.265 6.310
84 H1* U 8 H1* U 8 3.217 7.428 4.287
85 H3 U 8 H3 U 8 2.476 10.685 1.167
86 H5 U 8 H5 U 8 -0.719 11.050 3.882
87 H6 U 8 H6 U 8 0.397 9.426 5.308
88 1H5* C 9 2H5* C 9 7.131 9.943 7.298
89 2H5* C 9 1H5* C 9 7.456 11.577 7.911
90 H4* C 9 H4* C 9 8.370 10.841 5.545
91 H3* C 9 H3* C 9 7.331 13.435 6.567
92 H2* C 9 H2* C 9 6.635 14.281 4.545
93 2HO* C 9 2HO* C 9 8.081 14.484 2.985
94 H1* C 9 H1* C 9 6.859 11.916 2.875
95 1H4 C 9 H41 C 9 1.016 14.316 2.025
96 2H4 C 9 H42 C 9 0.535 13.741 3.605
97 H5 C 9 H5 C 9 2.064 12.700 5.155
98 H6 C 9 H6 C 9 4.375 11.990 5.519
99 1H5* C 10 2H5* C 10 8.463 16.128 5.096
100 2H5* C 10 1H5* C 10 9.366 14.729 4.483
101 H4* C 10 H4* C 10 10.599 17.481 4.916
102 H3* C 10 H3* C 10 8.708 16.916 2.922
103 H2* C 10 H2* C 10 9.896 15.198 1.816
104 2HO* C 10 2HO* C 10 9.953 16.459 0.091
105 H1* C 10 H1* C 10 12.562 16.524 2.239
106 1H4 C 10 H41 C 10 14.314 10.679 0.491
107 2H4 C 10 H42 C 10 13.233 9.952 1.659
108 H5 C 10 H5 C 10 11.750 11.231 3.061
109 H6 C 10 H6 C 10 10.970 13.487 3.637
110 1H5* C 11 2H5* C 11 10.227 18.621 0.508
111 2H5* C 11 1H5* C 11 10.147 20.292 -0.087
112 H4* C 11 H4* C 11 9.494 18.585 -1.804
113 H3* C 11 H3* C 11 8.308 21.046 -1.390
114 H2* C 11 H2* C 11 6.469 20.291 -0.080
115 2HO* C 11 2HO* C 11 5.519 21.216 -1.914
116 H1* C 11 H1* C 11 6.120 17.832 -1.793
117 1H4 C 11 H41 C 11 2.328 16.580 3.149
118 2H4 C 11 H42 C 11 3.653 16.798 4.269
119 H5 C 11 H5 C 11 5.853 17.503 3.589
120 H6 C 11 H6 C 11 7.260 18.150 1.688
121 1H5* G 12 2H5* G 12 7.826 17.816 -4.668
122 2H5* G 12 1H5* G 12 8.592 17.166 -3.205
123 H4* G 12 H4* G 12 9.501 16.635 -6.061
124 H3* G 12 H3* G 12 7.657 15.205 -4.169
125 H2* G 12 H2* G 12 8.710 13.143 -4.399
126 2HO* G 12 2HO* G 12 10.338 13.304 -6.471
127 H1* G 12 H1* G 12 11.348 13.983 -4.969
128 H8 G 12 H8 G 12 12.673 13.394 -2.815
129 H1 G 12 H1 G 12 7.427 13.359 0.804
130 1H2 G 12 H21 G 12 5.699 14.122 -0.344
131 2H2 G 12 H22 G 12 5.830 14.643 -2.010
132 1H5* A 13 2H5* A 13 6.932 13.067 -7.718
133 2H5* A 13 1H5* A 13 5.439 12.115 -7.581
134 H4* A 13 H4* A 13 7.891 11.135 -6.955
135 H3* A 13 H3* A 13 5.094 10.490 -6.070
136 H2* A 13 H2* A 13 5.793 9.225 -4.207
137 2HO* A 13 2HO* A 13 8.293 9.180 -5.565
138 H1* A 13 H1* A 13 7.775 10.799 -3.287
139 H8 A 13 H8 A 13 5.396 13.317 -4.572
140 1H6 A 13 H61 A 13 1.777 12.278 0.299
141 2H6 A 13 H62 A 13 2.084 13.337 -1.058
142 H2 A 13 H2 A 13 4.866 9.020 0.142
143 1H5* G 14 2H5* G 14 7.628 7.570 -6.174
144 2H5* G 14 1H5* G 14 7.447 5.815 -6.360
145 H4* G 14 H4* G 14 8.055 6.864 -4.013
146 H3* G 14 H3* G 14 6.916 4.399 -4.786
147 H2* G 14 H2* G 14 4.713 4.761 -4.099
148 2HO* G 14 2HO* G 14 5.014 3.369 -2.501
149 H1* G 14 H1* G 14 5.413 6.660 -1.894
150 H8 G 14 H8 G 14 3.701 7.424 -5.245
151 H1 G 14 H1 G 14 -0.286 6.892 -0.303
152 1H2 G 14 H21 G 14 0.819 6.211 1.484
153 2H2 G 14 H22 G 14 2.536 5.884 1.465
154 1H5* U 15 2H5* U 15 9.380 5.222 -0.864
155 2H5* U 15 1H5* U 15 10.818 4.378 -1.477
156 H4* U 15 H4* U 15 11.366 4.222 0.725
157 H3* U 15 H3* U 15 9.254 2.083 0.384
158 H2* U 15 H2* U 15 9.581 1.540 2.686
159 2HO* U 15 2HO* U 15 11.893 1.798 2.670
160 H1* U 15 H1* U 15 9.528 4.121 3.553
161 H3 U 15 H3 U 15 5.520 2.588 4.896
162 H5 U 15 H5 U 15 5.067 3.057 0.733
163 H6 U 15 H6 U 15 7.437 3.542 0.593
164 1H5* G 16 2H5* G 16 9.352 -1.478 -0.982
165 2H5* G 16 1H5* G 16 8.131 -0.560 -1.884
166 H4* G 16 H4* G 16 8.346 -0.882 1.152
167 H3* G 16 H3* G 16 6.471 -1.940 -1.066
168 H2* G 16 H2* G 16 4.597 -1.669 0.310
169 2HO* G 16 2HO* G 16 5.615 -1.082 2.737
170 H1* G 16 H1* G 16 5.428 0.592 1.790
171 H8 G 16 H8 G 16 5.712 0.959 -2.007
172 H1 G 16 H1 G 16 -0.152 2.062 0.263
173 1H2 G 16 H21 G 16 -0.260 1.493 2.401
174 2H2 G 16 H22 G 16 1.114 0.848 3.272
175 1H5* C 17 2H5* C 17 5.933 -3.253 3.385
176 2H5* C 17 1H5* C 17 5.956 -5.020 3.224
177 H4* C 17 H4* C 17 4.293 -4.265 4.895
178 H3* C 17 H3* C 17 3.398 -5.679 2.367
179 H2* C 17 H2* C 17 1.144 -5.504 2.997
180 2HO* C 17 2HO* C 17 0.681 -4.808 5.279
181 H1* C 17 H1* C 17 1.250 -2.993 4.265
182 1H4 C 17 H41 C 17 -1.469 -2.179 -1.432
183 2H4 C 17 H42 C 17 0.085 -2.297 -2.222
184 H5 C 17 H5 C 17 2.121 -2.797 -1.051
185 H6 C 17 H6 C 17 3.122 -3.295 1.132
186 1H5* A 18 2H5* A 18 1.275 -6.790 5.788
187 2H5* A 18 1H5* A 18 1.772 -8.429 6.253
188 H4* A 18 H4* A 18 -0.519 -8.382 6.777
189 H3* A 18 H3* A 18 0.094 -9.710 4.149
190 H2* A 18 H2* A 18 -2.179 -9.871 3.534
191 2HO* A 18 2HO* A 18 -3.688 -9.056 5.443
192 H1* A 18 H1* A 18 -3.065 -7.453 4.371
193 H8 A 18 H8 A 18 0.512 -7.599 2.963
194 1H6 A 18 H61 A 18 -2.007 -6.244 -2.498
195 2H6 A 18 H62 A 18 -0.505 -6.482 -1.634
196 H2 A 18 H2 A 18 -5.331 -6.885 0.458
197 1H5* U 19 2H5* U 19 -3.270 -12.057 6.507
198 2H5* U 19 1H5* U 19 -3.198 -13.687 5.805
199 H4* U 19 H4* U 19 -5.405 -12.244 5.597
200 H3* U 19 H3* U 19 -4.067 -14.007 3.527
201 H2* U 19 H2* U 19 -5.667 -13.414 1.908
202 2HO* U 19 2HO* U 19 -7.686 -13.147 2.485
203 H1* U 19 H1* U 19 -5.958 -10.721 2.599
204 H3 U 19 H3 U 19 -4.078 -10.740 -1.529
205 H5 U 19 H5 U 19 -0.937 -11.993 1.062
206 H6 U 19 H6 U 19 -2.560 -12.029 2.868
207 1H5* C 20 2H5* C 20 -8.549 -15.264 4.060
208 2H5* C 20 1H5* C 20 -8.686 -16.892 3.368
209 H4* C 20 H4* C 20 -10.070 -14.888 2.347
210 H3* C 20 H3* C 20 -8.607 -17.125 0.916
211 H2* C 20 H2* C 20 -9.167 -16.201 -1.183
212 2HO* C 20 2HO* C 20 -10.714 -14.236 -1.025
213 H1* C 20 H1* C 20 -8.849 -13.538 -0.563
214 1H4 C 20 H41 C 20 -3.553 -15.529 -3.495
215 2H4 C 20 H42 C 20 -2.888 -16.033 -1.956
216 H5 C 20 H5 C 20 -4.139 -15.980 0.104
217 H6 C 20 H6 C 20 -6.299 -15.431 1.131
218 1H5* C 21 2H5* C 21 -11.905 -15.737 -1.600
219 2H5* C 21 1H5* C 21 -12.831 -17.220 -1.907
220 H4* C 21 H4* C 21 -12.043 -15.899 -3.968
221 H3* C 21 H3* C 21 -11.456 -18.834 -3.497
222 H2* C 21 H2* C 21 -10.309 -18.963 -5.496
223 2HO* C 21 2HO* C 21 -10.814 -16.884 -6.960
224 H1* C 21 H1* C 21 -9.573 -16.169 -5.634
225 1H4 C 21 H41 C 21 -4.114 -19.416 -5.349
226 2H4 C 21 H42 C 21 -4.502 -20.011 -3.752
227 H5 C 21 H5 C 21 -6.586 -19.547 -2.640
228 H6 C 21 H6 C 21 -8.751 -18.411 -2.818
229 H3T C 21 H3T C 21 -13.332 -17.270 -4.962
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