NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
11388 |
1rfr   |
6042 | 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 1H5* G 1 -11.237 -21.146 7.417
2 2H5* G 1 2H5* G 1 -10.614 -22.083 6.047
3 H4* G 1 H4* G 1 -9.353 -22.139 8.660
4 H3* G 1 H3* G 1 -8.767 -20.412 6.260
5 H2* G 1 H2* G 1 -6.441 -20.489 6.899
6 2HO* G 1 2HO* G 1 -7.162 -20.448 9.234
7 H1* G 1 H1* G 1 -6.425 -23.165 7.393
8 H8 G 1 H8 G 1 -8.708 -22.683 4.401
9 H1 G 1 H1 G 1 -2.470 -22.099 2.962
10 1H2 G 1 1H2 G 1 -1.265 -21.962 4.894
11 2H2 G 1 2H2 G 1 -2.049 -22.080 6.465
12 1H5* G 2 1H5* G 2 -6.427 -18.731 9.432
13 2H5* G 2 2H5* G 2 -6.384 -16.968 9.290
14 H4* G 2 H4* G 2 -4.099 -18.080 9.177
15 H3* G 2 H3* G 2 -4.986 -16.512 6.746
16 H2* G 2 H2* G 2 -2.702 -16.804 6.065
17 2HO* G 2 2HO* G 2 -1.936 -16.517 8.312
18 H1* G 2 H1* G 2 -2.584 -19.460 6.834
19 H8 G 2 H8 G 2 -5.900 -19.005 5.102
20 H1 G 2 H1 G 2 -0.850 -18.682 1.105
21 1H2 G 2 1H2 G 2 1.034 -18.614 2.279
22 2H2 G 2 2H2 G 2 1.032 -18.704 4.036
23 1H5* C 3 1H5* C 3 -1.428 -14.890 8.557
24 2H5* C 3 2H5* C 3 -1.142 -13.184 8.246
25 H4* C 3 H4* C 3 0.561 -14.951 7.407
26 H3* C 3 H3* C 3 -0.549 -12.865 5.464
27 H2* C 3 H2* C 3 0.891 -13.787 3.776
28 2HO* C 3 2HO* C 3 2.559 -14.092 5.513
29 H1* C 3 H1* C 3 0.384 -16.393 4.398
30 1H4 C 3 1H4 C 3 -3.680 -15.525 -0.324
31 2H4 C 3 2H4 C 3 -4.932 -15.033 0.797
32 H5 C 3 H5 C 3 -4.448 -14.569 3.214
33 H6 C 3 H6 C 3 -2.735 -14.630 4.887
34 1H5* A 4 1H5* A 4 1.257 -8.726 5.489
35 2H5* A 4 2H5* A 4 -0.198 -9.091 4.559
36 H4* A 4 H4* A 4 2.509 -10.484 4.379
37 H3* A 4 H3* A 4 0.795 -8.793 2.527
38 H2* A 4 H2* A 4 1.653 -10.000 0.658
39 2HO* A 4 2HO* A 4 3.804 -9.969 1.867
40 H1* A 4 H1* A 4 1.577 -12.480 1.865
41 H8 A 4 H8 A 4 -1.594 -11.074 3.117
42 1H6 A 4 1H6 A 4 -4.195 -12.738 -2.222
43 2H6 A 4 2H6 A 4 -4.426 -12.208 -0.564
44 H2 A 4 H2 A 4 0.280 -12.813 -2.788
45 1H5* C 5 1H5* C 5 4.557 -7.874 0.647
46 2H5* C 5 2H5* C 5 4.501 -6.183 0.107
47 H4* C 5 H4* C 5 4.578 -7.839 -1.772
48 H3* C 5 H3* C 5 2.042 -6.180 -1.571
49 H2* C 5 H2* C 5 1.393 -7.228 -3.637
50 2HO* C 5 2HO* C 5 3.753 -7.119 -4.296
51 H1* C 5 H1* C 5 2.203 -9.751 -2.911
52 1H4 C 5 1H4 C 5 -4.082 -9.350 -1.900
53 2H4 C 5 2H4 C 5 -3.842 -8.592 -0.340
54 H5 C 5 H5 C 5 -1.566 -7.947 0.496
55 H6 C 5 H6 C 5 0.769 -7.922 -0.060
56 1H5* U 6 1H5* U 6 2.973 -5.780 -5.647
57 2H5* U 6 2H5* U 6 2.612 -4.171 -6.277
58 H4* U 6 H4* U 6 1.332 -6.082 -7.335
59 H3* U 6 H3* U 6 -0.241 -3.850 -6.036
60 H2* U 6 H2* U 6 -2.256 -4.951 -6.689
61 2HO* U 6 2HO* U 6 -1.150 -5.565 -8.751
62 H1* U 6 H1* U 6 -1.460 -7.458 -6.014
63 H3 U 6 H3 U 6 -4.687 -6.222 -3.026
64 H5 U 6 H5 U 6 -1.005 -5.125 -1.306
65 H6 U 6 H6 U 6 0.043 -5.503 -3.409
66 1H5* C 7 1H5* C 7 -0.909 -3.179 -10.401
67 2H5* C 7 2H5* C 7 -1.096 -1.474 -10.856
68 H4* C 7 H4* C 7 -3.312 -2.702 -10.492
69 H3* C 7 H3* C 7 -2.636 -0.404 -8.628
70 H2* C 7 H2* C 7 -4.807 -0.665 -7.740
71 2HO* C 7 2HO* C 7 -5.950 -0.749 -9.685
72 H1* C 7 H1* C 7 -4.860 -3.480 -8.193
73 1H4 C 7 1H4 C 7 -4.742 -2.857 -1.924
74 2H4 C 7 2H4 C 7 -2.996 -2.681 -1.858
75 H5 C 7 H5 C 7 -1.638 -2.509 -4.048
76 H6 C 7 H6 C 7 -1.861 -2.415 -6.428
77 1H5* U 8 1H5* U 8 -6.482 0.153 -11.381
78 2H5* U 8 2H5* U 8 -6.624 1.906 -11.614
79 H4* U 8 H4* U 8 -8.783 0.845 -10.964
80 H3* U 8 H3* U 8 -7.582 2.811 -8.988
81 H2* U 8 H2* U 8 -9.660 2.613 -7.784
82 2HO* U 8 2HO* U 8 -10.821 2.531 -9.890
83 H1* U 8 H1* U 8 -9.829 -0.126 -8.064
84 H3 U 8 H3 U 8 -9.038 0.479 -3.612
85 H5 U 8 H5 U 8 -5.266 0.854 -5.450
86 H6 U 8 H6 U 8 -6.363 0.930 -7.592
87 1H5* G 9 1H5* G 9 -11.640 4.378 -9.839
88 2H5* G 9 2H5* G 9 -11.602 6.140 -9.643
89 H4* G 9 H4* G 9 -13.154 4.946 -8.059
90 H3* G 9 H3* G 9 -10.860 6.507 -6.841
91 H2* G 9 H2* G 9 -11.845 5.980 -4.686
92 2HO* G 9 2HO* G 9 -14.035 6.190 -5.692
93 H1* G 9 H1* G 9 -12.244 3.342 -5.260
94 H8 G 9 H8 G 9 -8.932 4.488 -6.846
95 H1 G 9 H1 G 9 -8.597 3.188 -0.561
96 1H2 G 9 1H2 G 9 -10.694 3.127 0.306
97 2H2 G 9 2H2 G 9 -12.094 3.166 -0.758
98 1H5* G 10 1H5* G 10 -14.621 7.751 -4.835
99 2H5* G 10 2H5* G 10 -14.499 9.440 -4.321
100 H4* G 10 H4* G 10 -14.934 7.729 -2.483
101 H3* G 10 H3* G 10 -12.518 9.542 -2.285
102 H2* G 10 H2* G 10 -12.145 8.568 -0.098
103 2HO* G 10 2HO* G 10 -14.552 8.525 0.198
104 H1* G 10 H1* G 10 -12.614 5.987 -0.886
105 H8 G 10 H8 G 10 -10.662 7.570 -3.721
106 H1 G 10 H1 G 10 -7.057 6.034 1.376
107 1H2 G 10 1H2 G 10 -8.397 5.804 3.203
108 2H2 G 10 2H2 G 10 -10.149 5.801 3.032
109 1H5* U 11 1H5* U 11 -14.718 9.833 1.592
110 2H5* U 11 2H5* U 11 -14.540 11.477 2.229
111 H4* U 11 H4* U 11 -13.601 9.660 3.749
112 H3* U 11 H3* U 11 -11.649 11.746 2.784
113 H2* U 11 H2* U 11 -10.133 10.662 4.318
114 2HO* U 11 2HO* U 11 -11.810 10.310 5.912
115 H1* U 11 H1* U 11 -10.734 8.136 3.520
116 H3 U 11 H3 U 11 -6.558 9.220 2.038
117 H5 U 11 H5 U 11 -9.194 10.716 -0.898
118 H6 U 11 H6 U 11 -11.012 10.298 0.598
119 1H5* A 12 1H5* A 12 -13.027 12.898 7.032
120 2H5* A 12 2H5* A 12 -12.460 14.499 7.530
121 H4* A 12 H4* A 12 -11.064 12.501 8.293
122 H3* A 12 H3* A 12 -9.760 14.726 6.740
123 H2* A 12 H2* A 12 -7.679 13.617 7.187
124 2HO* A 12 2HO* A 12 -8.147 13.123 9.376
125 H1* A 12 H1* A 12 -8.675 11.058 6.654
126 H8 A 12 H8 A 12 -10.122 13.458 4.193
127 1H6 A 12 1H6 A 12 -5.035 12.638 0.797
128 2H6 A 12 2H6 A 12 -6.701 13.197 0.841
129 H2 A 12 H2 A 12 -4.117 11.285 4.984
130 1H5* U 13 1H5* U 13 -6.556 16.118 11.107
131 2H5* U 13 2H5* U 13 -6.580 16.734 9.457
132 H4* U 13 H4* U 13 -5.024 14.407 10.587
133 H3* U 13 H3* U 13 -4.592 16.818 8.803
134 H2* U 13 H2* U 13 -2.842 15.770 7.635
135 2HO* U 13 2HO* U 13 -2.229 14.737 9.815
136 H1* U 13 H1* U 13 -4.100 13.363 7.333
137 H3 U 13 H3 U 13 -4.582 15.090 3.162
138 H5 U 13 H5 U 13 -7.858 16.495 5.419
139 H6 U 13 H6 U 13 -6.668 15.891 7.411
140 1H5* C 14 1H5* C 14 -0.891 16.536 9.634
141 2H5* C 14 2H5* C 14 -0.212 18.080 10.188
142 H4* C 14 H4* C 14 0.920 17.507 8.174
143 H3* C 14 H3* C 14 -1.217 19.522 7.474
144 H2* C 14 H2* C 14 -0.030 19.592 5.303
145 2HO* C 14 2HO* C 14 1.818 18.333 4.980
146 H1* C 14 H1* C 14 -0.176 16.901 5.091
147 1H4 C 14 1H4 C 14 -5.715 19.061 2.749
148 2H4 C 14 2H4 C 14 -6.425 19.171 4.345
149 H5 C 14 H5 C 14 -5.098 18.657 6.412
150 H6 C 14 H6 C 14 -2.947 18.042 7.217
151 1H5* A 15 1H5* A 15 -0.090 22.851 5.974
152 2H5* A 15 2H5* A 15 1.013 21.464 5.856
153 H4* A 15 H4* A 15 1.461 24.365 5.242
154 H3* A 15 H3* A 15 1.114 22.203 3.629
155 H2* A 15 H2* A 15 2.705 20.772 4.658
156 2HO* A 15 2HO* A 15 3.708 22.192 2.481
157 H1* A 15 H1* A 15 4.685 23.021 4.633
158 H8 A 15 H8 A 15 3.351 20.070 6.745
159 1H6 A 15 1H6 A 15 9.055 19.943 9.160
160 2H6 A 15 2H6 A 15 7.486 19.145 9.084
161 H2 A 15 H2 A 15 8.780 23.498 6.473
162 1H5* C 16 1H5* C 16 1.626 21.836 0.589
163 2H5* C 16 2H5* C 16 1.593 23.228 -0.459
164 H4* C 16 H4* C 16 0.345 21.418 -1.386
165 H3* C 16 H3* C 16 -0.775 23.889 -1.559
166 H2* C 16 H2* C 16 -1.736 23.843 0.681
167 2HO* C 16 2HO* C 16 -4.081 23.278 0.227
168 H1* C 16 H1* C 16 -2.942 21.149 0.011
169 1H4 C 16 1H4 C 16 -4.302 22.105 6.274
170 2H4 C 16 2H4 C 16 -2.625 21.791 6.688
171 H5 C 16 H5 C 16 -0.936 21.345 4.924
172 H6 C 16 H6 C 16 -0.501 21.247 2.593
173 1H5* G 17 1H5* G 17 1.385 22.554 -4.079
174 2H5* G 17 2H5* G 17 0.989 21.311 -5.228
175 H4* G 17 H4* G 17 3.217 21.092 -4.482
176 H3* G 17 H3* G 17 1.514 18.934 -3.201
177 H2* G 17 H2* G 17 3.620 18.070 -2.484
178 2HO* G 17 2HO* G 17 4.353 18.608 -4.822
179 H1* G 17 H1* G 17 4.853 20.650 -2.368
180 H8 G 17 H8 G 17 5.891 19.924 -0.155
181 H1 G 17 H1 G 17 0.234 18.216 2.307
182 1H2 G 17 1H2 G 17 -1.293 18.022 0.685
183 2H2 G 17 2H2 G 17 -0.921 18.528 -0.950
184 1H5* G 18 1H5* G 18 3.702 16.630 -4.176
185 2H5* G 18 2H5* G 18 3.097 15.126 -4.766
186 H4* G 18 H4* G 18 4.174 15.386 -2.348
187 H3* G 18 H3* G 18 1.672 13.732 -2.763
188 H2* G 18 H2* G 18 1.873 13.215 -0.400
189 2HO* G 18 2HO* G 18 4.276 13.180 -0.638
190 H1* G 18 H1* G 18 2.417 15.789 0.370
191 H8 G 18 H8 G 18 -0.224 15.657 -2.414
192 H1 G 18 H1 G 18 -2.475 14.577 3.525
193 1H2 G 18 1H2 G 18 -0.755 14.242 4.928
194 2H2 G 18 2H2 G 18 0.909 14.398 4.388
195 1H5* U 19 1H5* U 19 4.646 11.477 -0.293
196 2H5* U 19 2H5* U 19 4.393 9.740 -0.453
197 H4* U 19 H4* U 19 4.153 10.791 1.878
198 H3* U 19 H3* U 19 1.941 9.020 0.790
199 H2* U 19 H2* U 19 0.953 9.235 2.988
200 2HO* U 19 2HO* U 19 3.074 9.145 4.021
201 H1* U 19 H1* U 19 1.309 11.922 3.173
202 H3 U 19 H3 U 19 -3.190 11.611 2.334
203 H5 U 19 H5 U 19 -1.334 11.376 -1.432
204 H6 U 19 H6 U 19 0.765 11.101 -0.338
205 1H5* A 20 1H5* A 20 3.551 7.074 4.409
206 2H5* A 20 2H5* A 20 3.282 5.319 4.366
207 H4* A 20 H4* A 20 2.079 6.514 6.198
208 H3* A 20 H3* A 20 0.283 5.065 4.189
209 H2* A 20 H2* A 20 -1.495 5.682 5.595
210 2HO* A 20 2HO* A 20 0.049 5.551 7.532
211 H1* A 20 H1* A 20 -0.886 8.158 5.863
212 H8 A 20 H8 A 20 0.309 7.211 2.311
213 1H6 A 20 1H6 A 20 -5.234 8.977 0.373
214 2H6 A 20 2H6 A 20 -3.627 8.427 -0.036
215 H2 A 20 H2 A 20 -5.373 8.745 4.898
216 1H5* C 21 1H5* C 21 -1.295 4.373 7.805
217 2H5* C 21 2H5* C 21 -1.741 2.761 8.087
218 H4* C 21 H4* C 21 -3.644 4.258 8.346
219 H3* C 21 H3* C 21 -3.960 2.452 5.907
220 H2* C 21 H2* C 21 -6.124 3.445 5.676
221 2HO* C 21 2HO* C 21 -6.309 3.519 8.088
222 H1* C 21 H1* C 21 -5.230 6.009 5.999
223 1H4 C 21 1H4 C 21 -5.020 5.546 -0.239
224 2H4 C 21 2H4 C 21 -3.357 4.993 -0.201
225 H5 C 21 H5 C 21 -2.224 4.370 1.961
226 H6 C 21 H6 C 21 -2.485 4.306 4.328
227 1H5* C 22 1H5* C 22 -7.520 1.949 8.242
228 2H5* C 22 2H5* C 22 -8.143 0.291 8.110
229 H4* C 22 H4* C 22 -9.698 2.075 7.214
230 H3* C 22 H3* C 22 -8.674 -0.039 5.288
231 H2* C 22 H2* C 22 -10.116 0.932 3.652
232 2HO* C 22 2HO* C 22 -11.712 1.316 5.487
233 H1* C 22 H1* C 22 -9.541 3.547 4.315
234 1H4 C 22 1H4 C 22 -6.068 2.508 -0.830
235 2H4 C 22 2H4 C 22 -4.731 1.868 0.101
236 H5 C 22 H5 C 22 -4.894 1.568 2.612
237 H6 C 22 H6 C 22 -6.361 1.737 4.491
238 1H5* U 23 1H5* U 23 -12.805 -0.048 4.431
239 2H5* U 23 2H5* U 23 -13.339 -1.710 4.134
240 H4* U 23 H4* U 23 -13.634 -0.209 2.171
241 H3* U 23 H3* U 23 -11.666 -2.490 1.825
242 H2* U 23 H2* U 23 -11.592 -1.842 -0.518
243 2HO* U 23 2HO* U 23 -13.911 -1.360 -0.526
244 H1* U 23 H1* U 23 -11.441 0.834 0.008
245 H3 U 23 H3 U 23 -7.326 -0.156 -1.597
246 H5 U 23 H5 U 23 -7.250 -1.569 2.372
247 H6 U 23 H6 U 23 -9.604 -1.098 2.533
248 1H5* U 24 1H5* U 24 -14.827 -2.636 -1.347
249 2H5* U 24 2H5* U 24 -15.059 -4.311 -1.871
250 H4* U 24 H4* U 24 -14.410 -2.701 -3.708
251 H3* U 24 H3* U 24 -12.537 -5.018 -3.133
252 H2* U 24 H2* U 24 -11.394 -4.338 -5.167
253 2HO* U 24 2HO* U 24 -13.566 -3.772 -6.104
254 H1* U 24 H1* U 24 -11.450 -1.660 -4.528
255 H3 U 24 H3 U 24 -7.076 -2.796 -4.106
256 H5 U 24 H5 U 24 -8.851 -4.325 -0.630
257 H6 U 24 H6 U 24 -11.032 -3.828 -1.562
258 1H5* U 25 1H5* U 25 -13.451 -5.264 -7.344
259 2H5* U 25 2H5* U 25 -13.526 -6.964 -7.832
260 H4* U 25 H4* U 25 -11.828 -5.656 -9.087
261 H3* U 25 H3* U 25 -10.709 -7.875 -7.327
262 H2* U 25 H2* U 25 -8.632 -7.445 -8.410
263 2HO* U 25 2HO* U 25 -9.819 -7.046 -10.474
264 H1* U 25 H1* U 25 -8.835 -4.715 -8.193
265 H3 U 25 H3 U 25 -5.597 -6.004 -5.222
266 H5 U 25 H5 U 25 -9.202 -6.673 -3.203
267 H6 U 25 H6 U 25 -10.393 -6.254 -5.264
268 1H5* G 26 1H5* G 26 -9.488 -8.874 -11.276
269 2H5* G 26 2H5* G 26 -9.404 -10.634 -11.495
270 H4* G 26 H4* G 26 -7.212 -9.427 -11.768
271 H3* G 26 H3* G 26 -7.417 -11.457 -9.523
272 H2* G 26 H2* G 26 -5.034 -11.115 -9.217
273 2HO* G 26 2HO* G 26 -4.827 -10.881 -11.624
274 H1* G 26 H1* G 26 -5.223 -8.370 -9.357
275 H8 G 26 H8 G 26 -8.287 -9.352 -7.417
276 H1 G 26 H1 G 26 -2.831 -9.911 -4.053
277 1H2 G 26 1H2 G 26 -1.053 -9.959 -5.509
278 2H2 G 26 2H2 G 26 -1.317 -9.720 -7.230
279 1H5* U 27 1H5* U 27 -3.919 -12.508 -11.980
280 2H5* U 27 2H5* U 27 -3.782 -14.271 -12.082
281 H4* U 27 H4* U 27 -1.733 -13.150 -11.218
282 H3* U 27 H3* U 27 -3.112 -14.995 -9.229
283 H2* U 27 H2* U 27 -1.123 -14.722 -7.933
284 2HO* U 27 2HO* U 27 0.355 -14.683 -9.702
285 H1* U 27 H1* U 27 -1.118 -12.016 -8.193
286 H3 U 27 H3 U 27 -2.486 -13.027 -3.924
287 H5 U 27 H5 U 27 -5.959 -13.292 -6.295
288 H6 U 27 H6 U 27 -4.590 -13.077 -8.253
289 1H5* G 28 1H5* G 28 0.968 -16.563 -10.124
290 2H5* G 28 2H5* G 28 1.132 -18.260 -9.638
291 H4* G 28 H4* G 28 2.611 -16.499 -8.468
292 H3* G 28 H3* G 28 1.001 -18.401 -6.791
293 H2* G 28 H2* G 28 2.139 -17.363 -4.899
294 2HO* G 28 2HO* G 28 3.758 -15.871 -5.161
295 H1* G 28 H1* G 28 1.607 -14.815 -5.734
296 H8 G 28 H8 G 28 -1.500 -16.538 -6.835
297 H1 G 28 H1 G 28 -1.176 -15.836 -0.459
298 1H2 G 28 1H2 G 28 0.990 -15.521 0.166
299 2H2 G 28 2H2 G 28 2.250 -15.315 -1.037
300 1H5* U 29 1H5* U 29 4.799 -18.509 -5.315
301 2H5* U 29 2H5* U 29 5.422 -20.132 -4.967
302 H4* U 29 H4* U 29 5.419 -18.730 -2.956
303 H3* U 29 H3* U 29 3.423 -21.026 -2.899
304 H2* U 29 H2* U 29 2.984 -20.463 -0.639
305 2HO* U 29 2HO* U 29 5.349 -19.869 -0.420
306 H1* U 29 H1* U 29 2.753 -17.789 -1.098
307 H3 U 29 H3 U 29 -1.601 -19.253 -0.595
308 H5 U 29 H5 U 29 -0.689 -19.565 -4.690
309 H6 U 29 H6 U 29 1.572 -19.200 -4.189
310 1H5* C 30 1H5* C 30 5.949 -21.502 0.363
311 2H5* C 30 2H5* C 30 6.342 -23.202 0.676
312 H4* C 30 H4* C 30 5.246 -22.099 2.590
313 H3* C 30 H3* C 30 3.604 -24.266 1.215
314 H2* C 30 H2* C 30 2.052 -24.074 3.025
315 2HO* C 30 2HO* C 30 4.126 -23.727 4.430
316 H1* C 30 H1* C 30 2.299 -21.290 3.208
317 1H4 C 30 1H4 C 30 -3.159 -22.010 0.161
318 2H4 C 30 2H4 C 30 -2.376 -22.162 -1.402
319 H5 C 30 H5 C 30 0.142 -22.505 -1.556
320 H6 C 30 H6 C 30 2.180 -22.484 -0.274
321 H3T C 30 HE C 30 4.531 -25.573 2.726
Start of MODEL 2
1 1H5* G 1 1H5* G 1 -11.179 -23.537 8.555
2 2H5* G 1 2H5* G 1 -11.431 -21.780 8.516
3 H4* G 1 H4* G 1 -9.149 -22.460 9.306
4 H3* G 1 H3* G 1 -9.214 -20.876 6.722
5 H2* G 1 H2* G 1 -6.814 -20.728 7.039
6 2HO* G 1 2HO* G 1 -7.138 -20.503 9.404
7 H1* G 1 H1* G 1 -6.567 -23.377 7.776
8 H8 G 1 H8 G 1 -9.003 -23.138 4.852
9 H1 G 1 H1 G 1 -2.851 -22.377 3.154
10 1H2 G 1 1H2 G 1 -1.585 -22.098 5.036
11 2H2 G 1 2H2 G 1 -2.309 -22.188 6.636
12 1H5* G 2 1H5* G 2 -6.700 -18.820 9.672
13 2H5* G 2 2H5* G 2 -6.737 -17.077 9.387
14 H4* G 2 H4* G 2 -4.428 -18.140 9.305
15 H3* G 2 H3* G 2 -5.379 -16.714 6.804
16 H2* G 2 H2* G 2 -3.115 -16.954 6.116
17 2HO* G 2 2HO* G 2 -2.354 -16.534 8.356
18 H1* G 2 H1* G 2 -2.890 -19.569 7.012
19 H8 G 2 H8 G 2 -6.223 -19.343 5.288
20 H1 G 2 H1 G 2 -1.239 -18.907 1.205
21 1H2 G 2 1H2 G 2 0.659 -18.782 2.356
22 2H2 G 2 2H2 G 2 0.679 -18.795 4.114
23 1H5* C 3 1H5* C 3 -1.902 -14.831 8.475
24 2H5* C 3 2H5* C 3 -1.680 -13.140 8.011
25 H4* C 3 H4* C 3 0.045 -14.923 7.256
26 H3* C 3 H3* C 3 -1.178 -12.966 5.257
27 H2* C 3 H2* C 3 0.372 -13.825 3.652
28 2HO* C 3 2HO* C 3 2.044 -13.984 5.387
29 H1* C 3 H1* C 3 -0.056 -16.445 4.340
30 1H4 C 3 1H4 C 3 -4.123 -15.802 -0.445
31 2H4 C 3 2H4 C 3 -5.378 -15.267 0.652
32 H5 C 3 H5 C 3 -4.925 -14.775 3.055
33 H6 C 3 H6 C 3 -3.247 -14.783 4.747
34 1H5* A 4 1H5* A 4 2.988 -12.053 5.133
35 2H5* A 4 2H5* A 4 3.248 -10.326 4.814
36 H4* A 4 H4* A 4 4.133 -11.867 3.038
37 H3* A 4 H3* A 4 1.937 -9.935 2.217
38 H2* A 4 H2* A 4 2.320 -10.697 -0.026
39 2HO* A 4 2HO* A 4 4.673 -10.788 0.390
40 H1* A 4 H1* A 4 2.457 -13.358 0.664
41 H8 A 4 H8 A 4 -0.304 -11.807 2.754
42 1H6 A 4 1H6 A 4 -3.960 -13.029 -2.112
43 2H6 A 4 2H6 A 4 -3.892 -12.593 -0.410
44 H2 A 4 H2 A 4 0.297 -13.390 -3.453
45 1H5* C 5 1H5* C 5 5.381 -8.834 -0.359
46 2H5* C 5 2H5* C 5 5.233 -7.129 -0.832
47 H4* C 5 H4* C 5 5.076 -8.808 -2.728
48 H3* C 5 H3* C 5 2.674 -7.012 -2.257
49 H2* C 5 H2* C 5 1.780 -8.002 -4.270
50 2HO* C 5 2HO* C 5 4.066 -8.051 -5.145
51 H1* C 5 H1* C 5 2.466 -10.573 -3.588
52 1H4 C 5 1H4 C 5 -3.654 -9.669 -2.050
53 2H4 C 5 2H4 C 5 -3.220 -8.968 -0.504
54 H5 C 5 H5 C 5 -0.834 -8.568 0.156
55 H6 C 5 H6 C 5 1.439 -8.703 -0.603
56 1H5* U 6 1H5* U 6 3.286 -6.681 -6.401
57 2H5* U 6 2H5* U 6 2.964 -5.065 -7.033
58 H4* U 6 H4* U 6 1.517 -6.939 -7.957
59 H3* U 6 H3* U 6 0.170 -4.588 -6.625
60 H2* U 6 H2* U 6 -1.940 -5.554 -7.121
61 2HO* U 6 2HO* U 6 -2.216 -7.272 -8.468
62 H1* U 6 H1* U 6 -1.252 -8.095 -6.395
63 H3 U 6 H3 U 6 -4.194 -6.595 -3.247
64 H5 U 6 H5 U 6 -0.338 -5.805 -1.770
65 H6 U 6 H6 U 6 0.544 -6.236 -3.944
66 1H5* C 7 1H5* C 7 -0.903 -3.859 -10.789
67 2H5* C 7 2H5* C 7 -0.926 -2.139 -11.236
68 H4* C 7 H4* C 7 -3.245 -3.126 -10.753
69 H3* C 7 H3* C 7 -2.231 -0.948 -8.891
70 H2* C 7 H2* C 7 -4.359 -1.031 -7.866
71 2HO* C 7 2HO* C 7 -5.631 -0.982 -9.737
72 H1* C 7 H1* C 7 -4.693 -3.814 -8.358
73 1H4 C 7 1H4 C 7 -4.001 -3.195 -2.105
74 2H4 C 7 2H4 C 7 -2.245 -3.229 -2.184
75 H5 C 7 H5 C 7 -1.063 -3.231 -4.478
76 H6 C 7 H6 C 7 -1.473 -3.122 -6.838
77 1H5* U 8 1H5* U 8 -6.146 -0.057 -11.445
78 2H5* U 8 2H5* U 8 -6.225 1.705 -11.628
79 H4* U 8 H4* U 8 -8.401 0.667 -10.947
80 H3* U 8 H3* U 8 -7.130 2.625 -9.011
81 H2* U 8 H2* U 8 -9.182 2.449 -7.751
82 2HO* U 8 2HO* U 8 -10.411 2.357 -9.808
83 H1* U 8 H1* U 8 -9.372 -0.285 -7.986
84 H3 U 8 H3 U 8 -8.436 0.582 -3.574
85 H5 U 8 H5 U 8 -4.711 0.591 -5.544
86 H6 U 8 H6 U 8 -5.865 0.576 -7.648
87 1H5* G 9 1H5* G 9 -11.255 4.136 -9.803
88 2H5* G 9 2H5* G 9 -11.262 5.896 -9.590
89 H4* G 9 H4* G 9 -12.776 4.610 -8.022
90 H3* G 9 H3* G 9 -10.585 6.303 -6.793
91 H2* G 9 H2* G 9 -11.557 5.721 -4.640
92 2HO* G 9 2HO* G 9 -13.747 5.784 -5.667
93 H1* G 9 H1* G 9 -11.759 3.065 -5.202
94 H8 G 9 H8 G 9 -8.534 4.334 -6.837
95 H1 G 9 H1 G 9 -8.109 3.402 -0.495
96 1H2 G 9 1H2 G 9 -10.202 3.299 0.389
97 2H2 G 9 2H2 G 9 -11.600 3.194 -0.672
98 1H5* G 10 1H5* G 10 -14.444 7.286 -4.813
99 2H5* G 10 2H5* G 10 -14.456 8.986 -4.321
100 H4* G 10 H4* G 10 -14.788 7.258 -2.468
101 H3* G 10 H3* G 10 -12.561 9.293 -2.263
102 H2* G 10 H2* G 10 -12.109 8.396 -0.059
103 2HO* G 10 2HO* G 10 -14.513 8.106 0.204
104 H1* G 10 H1* G 10 -12.305 5.770 -0.808
105 H8 G 10 H8 G 10 -10.519 7.401 -3.702
106 H1 G 10 H1 G 10 -6.789 6.458 1.447
107 1H2 G 10 1H2 G 10 -8.100 6.168 3.289
108 2H2 G 10 2H2 G 10 -9.848 6.041 3.129
109 1H5* U 11 1H5* U 11 -14.739 9.390 1.615
110 2H5* U 11 2H5* U 11 -14.804 11.071 2.181
111 H4* U 11 H4* U 11 -13.590 9.513 3.800
112 H3* U 11 H3* U 11 -11.970 11.754 2.618
113 H2* U 11 H2* U 11 -10.321 11.005 4.228
114 2HO* U 11 2HO* U 11 -11.819 10.570 5.920
115 H1* U 11 H1* U 11 -10.616 8.360 3.660
116 H3 U 11 H3 U 11 -6.565 9.719 2.083
117 H5 U 11 H5 U 11 -9.318 10.779 -0.932
118 H6 U 11 H6 U 11 -11.101 10.271 0.587
119 1H5* A 12 1H5* A 12 -13.113 12.869 6.875
120 2H5* A 12 2H5* A 12 -12.689 14.532 7.322
121 H4* A 12 H4* A 12 -11.177 12.643 8.198
122 H3* A 12 H3* A 12 -9.959 14.917 6.651
123 H2* A 12 H2* A 12 -7.837 13.911 7.140
124 2HO* A 12 2HO* A 12 -8.326 13.406 9.324
125 H1* A 12 H1* A 12 -8.712 11.292 6.583
126 H8 A 12 H8 A 12 -10.219 13.628 4.104
127 1H6 A 12 1H6 A 12 -5.052 13.076 0.788
128 2H6 A 12 2H6 A 12 -6.746 13.543 0.811
129 H2 A 12 H2 A 12 -4.126 11.770 4.993
130 1H5* U 13 1H5* U 13 -6.951 16.450 11.121
131 2H5* U 13 2H5* U 13 -6.940 17.064 9.469
132 H4* U 13 H4* U 13 -5.348 14.787 10.656
133 H3* U 13 H3* U 13 -4.927 17.227 8.914
134 H2* U 13 H2* U 13 -3.102 16.245 7.799
135 2HO* U 13 2HO* U 13 -2.554 15.201 10.002
136 H1* U 13 H1* U 13 -4.262 13.805 7.423
137 H3 U 13 H3 U 13 -4.659 15.581 3.257
138 H5 U 13 H5 U 13 -8.078 16.787 5.415
139 H6 U 13 H6 U 13 -6.922 16.216 7.434
140 1H5* C 14 1H5* C 14 -1.256 16.901 9.857
141 2H5* C 14 2H5* C 14 -0.563 18.420 10.461
142 H4* C 14 H4* C 14 0.624 17.821 8.474
143 H3* C 14 H3* C 14 -1.401 19.984 7.823
144 H2* C 14 H2* C 14 -0.257 20.064 5.646
145 2HO* C 14 2HO* C 14 1.793 19.488 6.938
146 H1* C 14 H1* C 14 -0.351 17.383 5.347
147 1H4 C 14 1H4 C 14 -5.817 19.504 2.812
148 2H4 C 14 2H4 C 14 -6.581 19.618 4.383
149 H5 C 14 H5 C 14 -5.330 19.119 6.496
150 H6 C 14 H6 C 14 -3.200 18.519 7.382
151 1H5* A 15 1H5* A 15 -0.134 23.254 6.430
152 2H5* A 15 2H5* A 15 0.920 21.843 6.154
153 H4* A 15 H4* A 15 1.416 24.778 5.775
154 H3* A 15 H3* A 15 0.667 22.908 3.991
155 H2* A 15 H2* A 15 2.233 21.249 4.461
156 2HO* A 15 2HO* A 15 3.056 22.993 2.467
157 H1* A 15 H1* A 15 4.520 23.193 4.595
158 H8 A 15 H8 A 15 3.560 19.739 5.151
159 1H6 A 15 1H6 A 15 8.055 19.278 9.358
160 2H6 A 15 2H6 A 15 6.883 18.415 8.366
161 H2 A 15 H2 A 15 7.448 23.620 8.496
162 1H5* C 16 1H5* C 16 1.064 22.535 0.953
163 2H5* C 16 2H5* C 16 0.951 23.954 -0.030
164 H4* C 16 H4* C 16 -0.268 22.151 -0.954
165 H3* C 16 H3* C 16 -1.511 24.572 -0.999
166 H2* C 16 H2* C 16 -2.338 24.438 1.289
167 2HO* C 16 2HO* C 16 -4.677 23.827 0.975
168 H1* C 16 H1* C 16 -3.499 21.724 0.639
169 1H4 C 16 1H4 C 16 -4.384 22.586 7.015
170 2H4 C 16 2H4 C 16 -2.677 22.279 7.283
171 H5 C 16 H5 C 16 -1.135 21.880 5.393
172 H6 C 16 H6 C 16 -0.888 21.791 3.026
173 1H5* G 17 1H5* G 17 0.509 23.434 -3.710
174 2H5* G 17 2H5* G 17 0.082 22.184 -4.835
175 H4* G 17 H4* G 17 2.369 22.097 -4.278
176 H3* G 17 H3* G 17 0.917 19.803 -2.922
177 H2* G 17 H2* G 17 3.146 19.067 -2.445
178 2HO* G 17 2HO* G 17 3.622 19.717 -4.812
179 H1* G 17 H1* G 17 4.185 21.723 -2.320
180 H8 G 17 H8 G 17 5.452 20.931 -0.310
181 H1 G 17 H1 G 17 0.218 18.750 2.627
182 1H2 G 17 1H2 G 17 -1.485 18.635 1.210
183 2H2 G 17 2H2 G 17 -1.351 19.301 -0.410
184 1H5* G 18 1H5* G 18 3.178 17.681 -4.150
185 2H5* G 18 2H5* G 18 2.625 16.143 -4.697
186 H4* G 18 H4* G 18 3.901 16.484 -2.371
187 H3* G 18 H3* G 18 1.551 14.600 -2.626
188 H2* G 18 H2* G 18 1.871 14.137 -0.275
189 2HO* G 18 2HO* G 18 4.281 14.355 -0.641
190 H1* G 18 H1* G 18 2.200 16.736 0.485
191 H8 G 18 H8 G 18 -0.454 16.471 -2.264
192 H1 G 18 H1 G 18 -2.577 15.071 3.653
193 1H2 G 18 1H2 G 18 -0.814 14.784 5.032
194 2H2 G 18 2H2 G 18 0.828 15.075 4.483
195 1H5* U 19 1H5* U 19 4.666 12.612 -0.143
196 2H5* U 19 2H5* U 19 4.563 10.863 -0.332
197 H4* U 19 H4* U 19 4.183 11.822 2.004
198 H3* U 19 H3* U 19 2.086 9.964 0.830
199 H2* U 19 H2* U 19 1.051 10.075 3.008
200 2HO* U 19 2HO* U 19 3.108 10.069 4.123
201 H1* U 19 H1* U 19 1.243 12.771 3.246
202 H3 U 19 H3 U 19 -3.197 12.091 2.308
203 H5 U 19 H5 U 19 -1.260 12.222 -1.425
204 H6 U 19 H6 U 19 0.834 12.095 -0.299
205 1H5* A 20 1H5* A 20 3.655 8.140 4.508
206 2H5* A 20 2H5* A 20 3.516 6.370 4.454
207 H4* A 20 H4* A 20 2.173 7.452 6.269
208 H3* A 20 H3* A 20 0.564 5.916 4.173
209 H2* A 20 H2* A 20 -1.303 6.362 5.499
210 2HO* A 20 2HO* A 20 -1.234 7.238 7.494
211 H1* A 20 H1* A 20 -0.877 8.869 5.855
212 H8 A 20 H8 A 20 0.447 8.119 2.305
213 1H6 A 20 1H6 A 20 -5.235 9.427 0.360
214 2H6 A 20 2H6 A 20 -3.585 9.036 -0.056
215 H2 A 20 H2 A 20 -5.367 9.112 4.875
216 1H5* C 21 1H5* C 21 -0.880 5.027 7.774
217 2H5* C 21 2H5* C 21 -1.228 3.405 8.059
218 H4* C 21 H4* C 21 -3.222 4.751 8.394
219 H3* C 21 H3* C 21 -3.467 2.961 5.938
220 H2* C 21 H2* C 21 -5.687 3.818 5.725
221 2HO* C 21 2HO* C 21 -5.871 3.860 8.134
222 H1* C 21 H1* C 21 -4.978 6.425 6.059
223 1H4 C 21 1H4 C 21 -4.770 5.961 -0.191
224 2H4 C 21 2H4 C 21 -3.082 5.490 -0.163
225 H5 C 21 H5 C 21 -1.897 4.954 1.988
226 H6 C 21 H6 C 21 -2.122 4.894 4.345
227 1H5* C 22 1H5* C 22 -6.991 2.226 8.319
228 2H5* C 22 2H5* C 22 -7.533 0.543 8.153
229 H4* C 22 H4* C 22 -9.175 2.282 7.306
230 H3* C 22 H3* C 22 -8.089 0.230 5.352
231 H2* C 22 H2* C 22 -9.576 1.169 3.729
232 2HO* C 22 2HO* C 22 -11.174 1.490 5.574
233 H1* C 22 H1* C 22 -9.077 3.793 4.399
234 1H4 C 22 1H4 C 22 -5.580 2.789 -0.750
235 2H4 C 22 2H4 C 22 -4.232 2.174 0.181
236 H5 C 22 H5 C 22 -4.379 1.918 2.698
237 H6 C 22 H6 C 22 -5.844 2.076 4.576
238 1H5* U 23 1H5* U 23 -12.211 0.119 4.486
239 2H5* U 23 2H5* U 23 -12.718 -1.552 4.192
240 H4* U 23 H4* U 23 -13.030 -0.037 2.225
241 H3* U 23 H3* U 23 -11.083 -2.337 1.892
242 H2* U 23 H2* U 23 -10.980 -1.701 -0.449
243 2HO* U 23 2HO* U 23 -13.281 -1.205 -0.518
244 H1* U 23 H1* U 23 -10.840 0.980 0.059
245 H3 U 23 H3 U 23 -6.733 0.032 -1.566
246 H5 U 23 H5 U 23 -6.601 -1.297 2.431
247 H6 U 23 H6 U 23 -8.967 -0.885 2.595
248 1H5* U 24 1H5* U 24 -14.257 -2.397 -1.289
249 2H5* U 24 2H5* U 24 -14.527 -4.062 -1.828
250 H4* U 24 H4* U 24 -13.819 -2.426 -3.650
251 H3* U 24 H3* U 24 -12.070 -4.836 -3.092
252 H2* U 24 H2* U 24 -10.884 -4.225 -5.099
253 2HO* U 24 2HO* U 24 -11.584 -2.593 -6.450
254 H1* U 24 H1* U 24 -10.832 -1.534 -4.443
255 H3 U 24 H3 U 24 -6.517 -2.864 -4.163
256 H5 U 24 H5 U 24 -8.240 -4.243 -0.600
257 H6 U 24 H6 U 24 -10.434 -3.697 -1.486
258 1H5* U 25 1H5* U 25 -12.973 -4.948 -7.214
259 2H5* U 25 2H5* U 25 -13.235 -6.612 -7.761
260 H4* U 25 H4* U 25 -11.423 -5.499 -9.021
261 H3* U 25 H3* U 25 -10.534 -7.801 -7.240
262 H2* U 25 H2* U 25 -8.413 -7.596 -8.294
263 2HO* U 25 2HO* U 25 -9.413 -7.203 -10.397
264 H1* U 25 H1* U 25 -8.365 -4.842 -8.187
265 H3 U 25 H3 U 25 -5.189 -6.211 -5.218
266 H5 U 25 H5 U 25 -8.807 -6.675 -3.150
267 H6 U 25 H6 U 25 -9.992 -6.224 -5.202
268 1H5* G 26 1H5* G 26 -9.624 -9.072 -11.228
269 2H5* G 26 2H5* G 26 -9.733 -10.838 -11.375
270 H4* G 26 H4* G 26 -7.430 -9.892 -11.751
271 H3* G 26 H3* G 26 -7.791 -11.764 -9.387
272 H2* G 26 H2* G 26 -5.376 -11.684 -9.189
273 2HO* G 26 2HO* G 26 -5.203 -11.643 -11.590
274 H1* G 26 H1* G 26 -5.259 -8.947 -9.538
275 H8 G 26 H8 G 26 -8.259 -9.522 -7.309
276 H1 G 26 H1 G 26 -2.610 -10.328 -4.329
277 1H2 G 26 1H2 G 26 -0.964 -10.596 -5.915
278 2H2 G 26 2H2 G 26 -1.347 -10.454 -7.622
279 1H5* U 27 1H5* U 27 -4.616 -13.348 -12.030
280 2H5* U 27 2H5* U 27 -4.623 -15.119 -11.989
281 H4* U 27 H4* U 27 -2.428 -14.062 -11.388
282 H3* U 27 H3* U 27 -3.735 -15.731 -9.206
283 H2* U 27 H2* U 27 -1.649 -15.486 -8.068
284 2HO* U 27 2HO* U 27 -0.362 -15.638 -10.016
285 H1* U 27 H1* U 27 -1.486 -12.804 -8.520
286 H3 U 27 H3 U 27 -2.453 -13.508 -4.089
287 H5 U 27 H5 U 27 -6.174 -13.554 -6.060
288 H6 U 27 H6 U 27 -5.008 -13.598 -8.164
289 1H5* G 28 1H5* G 28 0.270 -17.494 -10.180
290 2H5* G 28 2H5* G 28 0.375 -19.166 -9.603
291 H4* G 28 H4* G 28 1.966 -17.406 -8.585
292 H3* G 28 H3* G 28 0.370 -19.167 -6.756
293 H2* G 28 H2* G 28 1.600 -18.072 -4.956
294 2HO* G 28 2HO* G 28 3.242 -16.631 -5.347
295 H1* G 28 H1* G 28 1.099 -15.556 -5.877
296 H8 G 28 H8 G 28 -2.075 -17.202 -6.872
297 H1 G 28 H1 G 28 -1.658 -16.301 -0.531
298 1H2 G 28 1H2 G 28 0.521 -16.034 0.070
299 2H2 G 28 2H2 G 28 1.779 -15.934 -1.151
300 1H5* U 29 1H5* U 29 4.212 -19.282 -5.400
301 2H5* U 29 2H5* U 29 4.813 -20.899 -4.996
302 H4* U 29 H4* U 29 4.913 -19.399 -3.058
303 H3* U 29 H3* U 29 2.897 -21.660 -2.822
304 H2* U 29 H2* U 29 2.544 -20.988 -0.574
305 2HO* U 29 2HO* U 29 4.923 -20.423 -0.467
306 H1* U 29 H1* U 29 2.337 -18.332 -1.141
307 H3 U 29 H3 U 29 -2.018 -19.724 -0.415
308 H5 U 29 H5 U 29 -1.261 -20.177 -4.525
309 H6 U 29 H6 U 29 1.021 -19.844 -4.116
310 1H5* C 30 1H5* C 30 5.523 -22.029 0.381
311 2H5* C 30 2H5* C 30 5.898 -23.722 0.753
312 H4* C 30 H4* C 30 4.861 -22.543 2.652
313 H3* C 30 H3* C 30 3.132 -24.703 1.375
314 H2* C 30 H2* C 30 1.617 -24.403 3.199
315 2HO* C 30 2HO* C 30 3.733 -24.074 4.552
316 H1* C 30 H1* C 30 1.962 -21.622 3.295
317 1H4 C 30 1H4 C 30 -3.599 -22.414 0.409
318 2H4 C 30 2H4 C 30 -2.860 -22.698 -1.155
319 H5 C 30 H5 C 30 -0.353 -23.067 -1.351
320 H6 C 30 H6 C 30 1.722 -22.994 -0.125
321 H3T C 30 HE C 30 4.049 -25.989 2.902
Start of MODEL 3
1 1H5* G 1 1H5* G 1 -11.232 -22.517 8.036
2 2H5* G 1 2H5* G 1 -11.497 -20.776 8.237
3 H4* G 1 H4* G 1 -9.411 -21.362 9.304
4 H3* G 1 H3* G 1 -8.938 -19.918 6.686
5 H2* G 1 H2* G 1 -6.629 -19.837 7.349
6 2HO* G 1 2HO* G 1 -7.334 -19.561 9.660
7 H1* G 1 H1* G 1 -6.534 -22.447 8.087
8 H8 G 1 H8 G 1 -8.875 -22.378 5.114
9 H1 G 1 H1 G 1 -2.716 -21.531 3.481
10 1H2 G 1 1H2 G 1 -1.482 -21.167 5.369
11 2H2 G 1 2H2 G 1 -2.229 -21.209 6.961
12 1H5* G 2 1H5* G 2 -6.763 -17.819 9.627
13 2H5* G 2 2H5* G 2 -6.787 -16.082 9.305
14 H4* G 2 H4* G 2 -4.471 -17.106 9.384
15 H3* G 2 H3* G 2 -5.295 -15.818 6.763
16 H2* G 2 H2* G 2 -3.000 -16.048 6.222
17 2HO* G 2 2HO* G 2 -2.414 -15.534 8.523
18 H1* G 2 H1* G 2 -2.791 -18.619 7.206
19 H8 G 2 H8 G 2 -6.094 -18.478 5.418
20 H1 G 2 H1 G 2 -1.048 -18.090 1.409
21 1H2 G 2 1H2 G 2 0.826 -17.875 2.584
22 2H2 G 2 2H2 G 2 0.812 -17.828 4.343
23 1H5* C 3 1H5* C 3 -1.959 -13.851 8.408
24 2H5* C 3 2H5* C 3 -1.757 -12.171 7.905
25 H4* C 3 H4* C 3 0.008 -13.951 7.244
26 H3* C 3 H3* C 3 -1.201 -12.021 5.214
27 H2* C 3 H2* C 3 0.383 -12.853 3.623
28 2HO* C 3 2HO* C 3 2.041 -12.936 5.359
29 H1* C 3 H1* C 3 0.046 -15.486 4.340
30 1H4 C 3 1H4 C 3 -3.992 -15.308 -0.487
31 2H4 C 3 2H4 C 3 -5.278 -14.818 0.591
32 H5 C 3 H5 C 3 -4.871 -14.153 2.947
33 H6 C 3 H6 C 3 -3.210 -13.953 4.645
34 1H5* A 4 1H5* A 4 2.949 -10.868 5.279
35 2H5* A 4 2H5* A 4 3.103 -9.130 4.953
36 H4* A 4 H4* A 4 4.130 -10.618 3.210
37 H3* A 4 H3* A 4 1.827 -8.847 2.327
38 H2* A 4 H2* A 4 2.287 -9.595 0.104
39 2HO* A 4 2HO* A 4 4.628 -9.492 0.503
40 H1* A 4 H1* A 4 2.656 -12.230 0.807
41 H8 A 4 H8 A 4 -0.289 -10.779 2.774
42 1H6 A 4 1H6 A 4 -3.704 -12.611 -2.094
43 2H6 A 4 2H6 A 4 -3.724 -12.045 -0.433
44 H2 A 4 H2 A 4 0.618 -12.777 -3.270
45 1H5* C 5 1H5* C 5 5.224 -7.567 -0.248
46 2H5* C 5 2H5* C 5 4.961 -5.876 -0.723
47 H4* C 5 H4* C 5 4.915 -7.556 -2.632
48 H3* C 5 H3* C 5 2.383 -5.963 -2.121
49 H2* C 5 H2* C 5 1.527 -6.994 -4.098
50 2HO* C 5 2HO* C 5 2.747 -8.110 -5.530
51 H1* C 5 H1* C 5 2.491 -9.513 -3.462
52 1H4 C 5 1H4 C 5 -3.696 -9.211 -2.037
53 2H4 C 5 2H4 C 5 -3.388 -8.383 -0.522
54 H5 C 5 H5 C 5 -1.055 -7.751 0.190
55 H6 C 5 H6 C 5 1.238 -7.680 -0.527
56 1H5* U 6 1H5* U 6 3.087 -5.491 -6.202
57 2H5* U 6 2H5* U 6 2.668 -3.905 -6.856
58 H4* U 6 H4* U 6 1.418 -5.851 -7.866
59 H3* U 6 H3* U 6 -0.194 -3.677 -6.518
60 H2* U 6 H2* U 6 -2.189 -4.856 -7.095
61 2HO* U 6 2HO* U 6 -1.118 -5.439 -9.190
62 H1* U 6 H1* U 6 -1.282 -7.331 -6.443
63 H3 U 6 H3 U 6 -4.439 -6.192 -3.342
64 H5 U 6 H5 U 6 -0.740 -4.968 -1.756
65 H6 U 6 H6 U 6 0.243 -5.303 -3.890
66 1H5* C 7 1H5* C 7 -1.061 -3.017 -10.843
67 2H5* C 7 2H5* C 7 -1.310 -1.313 -11.272
68 H4* C 7 H4* C 7 -3.475 -2.599 -10.842
69 H3* C 7 H3* C 7 -2.786 -0.317 -8.961
70 H2* C 7 H2* C 7 -4.908 -0.652 -7.988
71 2HO* C 7 2HO* C 7 -6.123 -0.723 -9.893
72 H1* C 7 H1* C 7 -4.912 -3.461 -8.503
73 1H4 C 7 1H4 C 7 -4.580 -2.918 -2.231
74 2H4 C 7 2H4 C 7 -2.849 -2.617 -2.222
75 H5 C 7 H5 C 7 -1.576 -2.372 -4.457
76 H6 C 7 H6 C 7 -1.890 -2.280 -6.831
77 1H5* U 8 1H5* U 8 -6.741 0.176 -11.560
78 2H5* U 8 2H5* U 8 -6.945 1.927 -11.757
79 H4* U 8 H4* U 8 -9.045 0.778 -11.054
80 H3* U 8 H3* U 8 -7.844 2.767 -9.100
81 H2* U 8 H2* U 8 -9.870 2.486 -7.826
82 2HO* U 8 2HO* U 8 -11.110 2.407 -9.882
83 H1* U 8 H1* U 8 -9.974 -0.256 -8.156
84 H3 U 8 H3 U 8 -9.101 0.244 -3.712
85 H5 U 8 H5 U 8 -5.384 0.799 -5.619
86 H6 U 8 H6 U 8 -6.530 0.894 -7.737
87 1H5* G 9 1H5* G 9 -11.941 4.277 -9.846
88 2H5* G 9 2H5* G 9 -11.915 6.040 -9.643
89 H4* G 9 H4* G 9 -13.405 4.830 -8.018
90 H3* G 9 H3* G 9 -11.071 6.377 -6.854
91 H2* G 9 H2* G 9 -12.006 5.831 -4.681
92 2HO* G 9 2HO* G 9 -14.217 6.065 -5.610
93 H1* G 9 H1* G 9 -12.422 3.199 -5.276
94 H8 G 9 H8 G 9 -9.151 4.395 -6.917
95 H1 G 9 H1 G 9 -8.660 2.985 -0.668
96 1H2 G 9 1H2 G 9 -10.736 2.868 0.242
97 2H2 G 9 2H2 G 9 -12.157 2.878 -0.794
98 1H5* G 10 1H5* G 10 -14.806 7.645 -4.781
99 2H5* G 10 2H5* G 10 -14.648 9.322 -4.237
100 H4* G 10 H4* G 10 -15.086 7.575 -2.427
101 H3* G 10 H3* G 10 -12.655 9.366 -2.227
102 H2* G 10 H2* G 10 -12.263 8.351 -0.060
103 2HO* G 10 2HO* G 10 -14.678 8.303 0.245
104 H1* G 10 H1* G 10 -12.732 5.790 -0.894
105 H8 G 10 H8 G 10 -10.837 7.409 -3.743
106 H1 G 10 H1 G 10 -7.146 5.898 1.299
107 1H2 G 10 1H2 G 10 -8.457 5.636 3.138
108 2H2 G 10 2H2 G 10 -10.212 5.612 2.993
109 1H5* U 11 1H5* U 11 -14.776 9.603 1.659
110 2H5* U 11 2H5* U 11 -14.608 11.240 2.319
111 H4* U 11 H4* U 11 -13.636 9.413 3.799
112 H3* U 11 H3* U 11 -11.716 11.530 2.830
113 H2* U 11 H2* U 11 -10.162 10.453 4.323
114 2HO* U 11 2HO* U 11 -11.813 10.064 5.941
115 H1* U 11 H1* U 11 -10.749 7.924 3.519
116 H3 U 11 H3 U 11 -6.606 9.113 1.989
117 H5 U 11 H5 U 11 -9.316 10.546 -0.907
118 H6 U 11 H6 U 11 -11.102 10.074 0.605
119 1H5* A 12 1H5* A 12 -13.039 12.634 7.111
120 2H5* A 12 2H5* A 12 -12.469 14.230 7.617
121 H4* A 12 H4* A 12 -11.050 12.227 8.323
122 H3* A 12 H3* A 12 -9.783 14.482 6.790
123 H2* A 12 H2* A 12 -7.694 13.374 7.195
124 2HO* A 12 2HO* A 12 -8.129 12.829 9.379
125 H1* A 12 H1* A 12 -8.675 10.824 6.629
126 H8 A 12 H8 A 12 -10.159 13.266 4.216
127 1H6 A 12 1H6 A 12 -5.057 12.556 0.801
128 2H6 A 12 2H6 A 12 -6.723 13.113 0.851
129 H2 A 12 H2 A 12 -4.153 11.088 4.946
130 1H5* U 13 1H5* U 13 -6.487 15.753 11.130
131 2H5* U 13 2H5* U 13 -6.536 16.378 9.484
132 H4* U 13 H4* U 13 -5.002 13.998 10.554
133 H3* U 13 H3* U 13 -4.556 16.454 8.846
134 H2* U 13 H2* U 13 -2.837 15.448 7.623
135 2HO* U 13 2HO* U 13 -1.912 13.487 8.205
136 H1* U 13 H1* U 13 -4.126 13.061 7.256
137 H3 U 13 H3 U 13 -4.529 14.977 3.162
138 H5 U 13 H5 U 13 -7.863 16.225 5.429
139 H6 U 13 H6 U 13 -6.686 15.557 7.409
140 1H5* C 14 1H5* C 14 -0.907 16.008 9.585
141 2H5* C 14 2H5* C 14 -0.133 17.475 10.219
142 H4* C 14 H4* C 14 0.952 16.956 8.157
143 H3* C 14 H3* C 14 -1.089 19.124 7.622
144 H2* C 14 H2* C 14 0.074 19.321 5.462
145 2HO* C 14 2HO* C 14 1.850 18.016 4.995
146 H1* C 14 H1* C 14 -0.195 16.639 5.066
147 1H4 C 14 1H4 C 14 -5.679 19.014 2.864
148 2H4 C 14 2H4 C 14 -6.395 19.020 4.461
149 H5 C 14 H5 C 14 -5.072 18.385 6.494
150 H6 C 14 H6 C 14 -2.916 17.732 7.269
151 1H5* A 15 1H5* A 15 0.173 22.491 6.391
152 2H5* A 15 2H5* A 15 1.224 21.076 6.154
153 H4* A 15 H4* A 15 1.795 24.006 5.849
154 H3* A 15 H3* A 15 1.293 22.077 3.999
155 H2* A 15 H2* A 15 2.825 20.468 4.769
156 2HO* A 15 2HO* A 15 4.285 20.299 3.149
157 H1* A 15 H1* A 15 4.925 22.598 4.974
158 H8 A 15 H8 A 15 3.573 19.376 6.614
159 1H6 A 15 1H6 A 15 9.086 19.037 9.398
160 2H6 A 15 2H6 A 15 7.551 18.228 9.093
161 H2 A 15 H2 A 15 8.895 22.926 7.206
162 1H5* C 16 1H5* C 16 1.549 21.847 1.182
163 2H5* C 16 2H5* C 16 1.799 23.308 0.256
164 H4* C 16 H4* C 16 0.374 21.891 -0.953
165 H3* C 16 H3* C 16 -0.478 24.453 -0.620
166 H2* C 16 H2* C 16 -1.684 24.114 1.406
167 2HO* C 16 2HO* C 16 -3.254 23.883 -0.889
168 H1* C 16 H1* C 16 -2.972 21.638 0.319
169 1H4 C 16 1H4 C 16 -4.116 21.634 6.700
170 2H4 C 16 2H4 C 16 -2.412 21.383 7.034
171 H5 C 16 H5 C 16 -0.763 21.180 5.182
172 H6 C 16 H6 C 16 -0.398 21.391 2.854
173 1H5* G 17 1H5* G 17 0.003 21.094 -4.436
174 2H5* G 17 2H5* G 17 -0.060 20.849 -2.694
175 H4* G 17 H4* G 17 2.459 21.371 -4.356
176 H3* G 17 H3* G 17 1.371 18.922 -2.915
177 H2* G 17 H2* G 17 3.575 18.281 -2.464
178 2HO* G 17 2HO* G 17 3.977 18.966 -4.853
179 H1* G 17 H1* G 17 4.610 20.935 -2.348
180 H8 G 17 H8 G 17 5.860 20.027 -0.224
181 H1 G 17 H1 G 17 0.385 18.047 2.466
182 1H2 G 17 1H2 G 17 -1.283 18.165 1.032
183 2H2 G 17 2H2 G 17 -1.051 18.821 -0.579
184 1H5* G 18 1H5* G 18 3.559 16.686 -4.253
185 2H5* G 18 2H5* G 18 2.935 15.080 -4.650
186 H4* G 18 H4* G 18 4.195 15.579 -2.354
187 H3* G 18 H3* G 18 1.727 13.850 -2.599
188 H2* G 18 H2* G 18 1.953 13.436 -0.238
189 2HO* G 18 2HO* G 18 4.388 13.480 -0.556
190 H1* G 18 H1* G 18 2.456 16.036 0.451
191 H8 G 18 H8 G 18 -0.168 15.902 -2.319
192 H1 G 18 H1 G 18 -2.443 14.417 3.516
193 1H2 G 18 1H2 G 18 -0.716 14.005 4.903
194 2H2 G 18 2H2 G 18 0.946 14.263 4.397
195 1H5* U 19 1H5* U 19 4.675 11.740 -0.108
196 2H5* U 19 2H5* U 19 4.525 9.993 -0.302
197 H4* U 19 H4* U 19 4.165 10.941 2.038
198 H3* U 19 H3* U 19 2.013 9.188 0.807
199 H2* U 19 H2* U 19 0.956 9.297 2.977
200 2HO* U 19 2HO* U 19 2.992 9.180 4.119
201 H1* U 19 H1* U 19 1.267 11.979 3.279
202 H3 U 19 H3 U 19 -3.205 11.463 2.327
203 H5 U 19 H5 U 19 -1.256 11.640 -1.396
204 H6 U 19 H6 U 19 0.829 11.420 -0.276
205 1H5* A 20 1H5* A 20 3.544 7.124 4.402
206 2H5* A 20 2H5* A 20 3.291 5.371 4.294
207 H4* A 20 H4* A 20 2.030 6.505 6.142
208 H3* A 20 H3* A 20 0.285 5.117 4.047
209 H2* A 20 H2* A 20 -1.517 5.665 5.430
210 2HO* A 20 2HO* A 20 -1.318 6.560 7.433
211 H1* A 20 H1* A 20 -0.927 8.138 5.760
212 H8 A 20 H8 A 20 0.336 7.323 2.206
213 1H6 A 20 1H6 A 20 -5.280 8.895 0.282
214 2H6 A 20 2H6 A 20 -3.646 8.443 -0.140
215 H2 A 20 H2 A 20 -5.423 8.540 4.791
216 1H5* C 21 1H5* C 21 -1.230 4.284 7.609
217 2H5* C 21 2H5* C 21 -1.693 2.679 7.860
218 H4* C 21 H4* C 21 -3.586 4.176 8.192
219 H3* C 21 H3* C 21 -3.925 2.402 5.737
220 H2* C 21 H2* C 21 -6.114 3.360 5.557
221 2HO* C 21 2HO* C 21 -6.263 3.424 7.968
222 H1* C 21 H1* C 21 -5.247 5.929 5.862
223 1H4 C 21 1H4 C 21 -5.101 5.459 -0.372
224 2H4 C 21 2H4 C 21 -3.420 4.956 -0.357
225 H5 C 21 H5 C 21 -2.242 4.374 1.795
226 H6 C 21 H6 C 21 -2.474 4.300 4.163
227 1H5* C 22 1H5* C 22 -7.432 1.834 8.132
228 2H5* C 22 2H5* C 22 -8.021 0.161 8.033
229 H4* C 22 H4* C 22 -9.639 1.895 7.150
230 H3* C 22 H3* C 22 -8.589 -0.203 5.221
231 H2* C 22 H2* C 22 -10.080 0.721 3.599
232 2HO* C 22 2HO* C 22 -11.654 1.070 5.469
233 H1* C 22 H1* C 22 -9.572 3.354 4.247
234 1H4 C 22 1H4 C 22 -6.156 2.416 -0.950
235 2H4 C 22 2H4 C 22 -4.793 1.788 -0.051
236 H5 C 22 H5 C 22 -4.899 1.503 2.472
237 H6 C 22 H6 C 22 -6.340 1.629 4.374
238 1H5* U 23 1H5* U 23 -12.718 -0.340 4.386
239 2H5* U 23 2H5* U 23 -13.194 -2.024 4.117
240 H4* U 23 H4* U 23 -13.552 -0.573 2.129
241 H3* U 23 H3* U 23 -11.484 -2.770 1.813
242 H2* U 23 H2* U 23 -11.452 -2.162 -0.538
243 2HO* U 23 2HO* U 23 -13.779 -1.799 -0.567
244 H1* U 23 H1* U 23 -11.437 0.538 -0.053
245 H3 U 23 H3 U 23 -7.301 -0.292 -1.702
246 H5 U 23 H5 U 23 -7.122 -1.694 2.269
247 H6 U 23 H6 U 23 -9.488 -1.303 2.461
248 1H5* U 24 1H5* U 24 -14.664 -3.081 -1.335
249 2H5* U 24 2H5* U 24 -14.833 -4.772 -1.825
250 H4* U 24 H4* U 24 -14.280 -3.167 -3.701
251 H3* U 24 H3* U 24 -12.319 -5.406 -3.111
252 H2* U 24 H2* U 24 -11.235 -4.741 -5.177
253 2HO* U 24 2HO* U 24 -13.430 -4.304 -6.104
254 H1* U 24 H1* U 24 -11.403 -2.036 -4.610
255 H3 U 24 H3 U 24 -6.969 -2.919 -4.281
256 H5 U 24 H5 U 24 -8.568 -4.538 -0.763
257 H6 U 24 H6 U 24 -10.800 -4.155 -1.636
258 1H5* U 25 1H5* U 25 -13.413 -5.873 -7.281
259 2H5* U 25 2H5* U 25 -13.463 -7.598 -7.679
260 H4* U 25 H4* U 25 -11.862 -6.317 -9.082
261 H3* U 25 H3* U 25 -10.590 -8.394 -7.254
262 H2* U 25 H2* U 25 -8.574 -7.946 -8.447
263 2HO* U 25 2HO* U 25 -9.845 -7.733 -10.477
264 H1* U 25 H1* U 25 -8.887 -5.217 -8.387
265 H3 U 25 H3 U 25 -5.460 -6.112 -5.492
266 H5 U 25 H5 U 25 -8.923 -6.907 -3.283
267 H6 U 25 H6 U 25 -10.226 -6.681 -5.303
268 1H5* G 26 1H5* G 26 -9.553 -9.666 -11.222
269 2H5* G 26 2H5* G 26 -9.368 -11.429 -11.278
270 H4* G 26 H4* G 26 -7.285 -10.101 -11.792
271 H3* G 26 H3* G 26 -7.208 -11.975 -9.409
272 H2* G 26 H2* G 26 -4.848 -11.437 -9.268
273 2HO* G 26 2HO* G 26 -4.786 -11.381 -11.691
274 H1* G 26 H1* G 26 -5.225 -8.737 -9.597
275 H8 G 26 H8 G 26 -8.110 -9.780 -7.409
276 H1 G 26 H1 G 26 -2.459 -9.740 -4.340
277 1H2 G 26 1H2 G 26 -0.771 -9.798 -5.887
278 2H2 G 26 2H2 G 26 -1.128 -9.649 -7.603
279 1H5* U 27 1H5* U 27 -3.755 -13.005 -11.997
280 2H5* U 27 2H5* U 27 -3.432 -14.745 -11.910
281 H4* U 27 H4* U 27 -1.520 -13.197 -11.191
282 H3* U 27 H3* U 27 -2.549 -15.295 -9.256
283 H2* U 27 H2* U 27 -0.886 -14.574 -7.737
284 2HO* U 27 2HO* U 27 0.650 -14.371 -9.587
285 H1* U 27 H1* U 27 -1.132 -11.886 -8.217
286 H3 U 27 H3 U 27 -2.213 -12.936 -3.892
287 H5 U 27 H5 U 27 -5.770 -13.397 -6.098
288 H6 U 27 H6 U 27 -4.477 -13.234 -8.120
289 1H5* G 28 1H5* G 28 -0.068 -19.350 -9.235
290 2H5* G 28 2H5* G 28 -0.883 -18.977 -7.736
291 H4* G 28 H4* G 28 1.512 -17.750 -8.812
292 H3* G 28 H3* G 28 0.681 -19.044 -6.287
293 H2* G 28 H2* G 28 1.899 -17.554 -4.950
294 2HO* G 28 2HO* G 28 3.551 -17.563 -6.852
295 H1* G 28 H1* G 28 1.187 -15.236 -6.139
296 H8 G 28 H8 G 28 -1.977 -16.813 -6.912
297 H1 G 28 H1 G 28 -1.560 -15.653 -0.609
298 1H2 G 28 1H2 G 28 0.595 -15.298 -0.018
299 2H2 G 28 2H2 G 28 1.868 -15.268 -1.222
300 1H5* U 29 1H5* U 29 4.448 -18.702 -5.135
301 2H5* U 29 2H5* U 29 5.131 -20.268 -4.662
302 H4* U 29 H4* U 29 5.130 -18.739 -2.761
303 H3* U 29 H3* U 29 3.106 -20.995 -2.486
304 H2* U 29 H2* U 29 2.762 -20.243 -0.261
305 2HO* U 29 2HO* U 29 5.143 -19.661 -0.183
306 H1* U 29 H1* U 29 2.544 -17.612 -0.952
307 H3 U 29 H3 U 29 -1.789 -19.042 -0.134
308 H5 U 29 H5 U 29 -1.032 -19.930 -4.152
309 H6 U 29 H6 U 29 1.263 -19.384 -3.819
310 1H5* C 30 1H5* C 30 5.708 -21.261 0.754
311 2H5* C 30 2H5* C 30 6.030 -22.942 1.211
312 H4* C 30 H4* C 30 5.052 -21.608 3.032
313 H3* C 30 H3* C 30 3.282 -23.842 1.954
314 H2* C 30 H2* C 30 1.795 -23.389 3.771
315 2HO* C 30 2HO* C 30 3.720 -21.590 4.856
316 H1* C 30 H1* C 30 2.084 -20.614 3.609
317 1H4 C 30 1H4 C 30 -3.407 -21.768 0.744
318 2H4 C 30 2H4 C 30 -2.636 -22.098 -0.796
319 H5 C 30 H5 C 30 -0.119 -22.413 -0.944
320 H6 C 30 H6 C 30 1.935 -22.215 0.297
321 H3T C 30 HE C 30 4.424 -23.889 4.465
Start of MODEL 4
1 1H5* G 1 1H5* G 1 -11.267 -21.762 8.498
2 2H5* G 1 2H5* G 1 -11.353 -19.990 8.538
3 H4* G 1 H4* G 1 -9.161 -20.918 9.335
4 H3* G 1 H3* G 1 -9.049 -19.215 6.821
5 H2* G 1 H2* G 1 -6.653 -19.302 7.132
6 2HO* G 1 2HO* G 1 -6.910 -19.099 9.485
7 H1* G 1 H1* G 1 -6.646 -21.974 7.830
8 H8 G 1 H8 G 1 -8.941 -21.376 4.823
9 H1 G 1 H1 G 1 -2.684 -21.619 3.363
10 1H2 G 1 1H2 G 1 -1.462 -21.516 5.289
11 2H2 G 1 2H2 G 1 -2.250 -21.461 6.859
12 1H5* G 2 1H5* G 2 -6.361 -17.468 9.903
13 2H5* G 2 2H5* G 2 -6.212 -15.729 9.614
14 H4* G 2 H4* G 2 -4.010 -17.015 9.529
15 H3* G 2 H3* G 2 -4.840 -15.554 7.011
16 H2* G 2 H2* G 2 -2.604 -16.048 6.319
17 2HO* G 2 2HO* G 2 -1.772 -15.652 8.526
18 H1* G 2 H1* G 2 -2.650 -18.646 7.299
19 H8 G 2 H8 G 2 -5.911 -17.945 5.487
20 H1 G 2 H1 G 2 -0.833 -18.418 1.555
21 1H2 G 2 1H2 G 2 1.035 -18.424 2.729
22 2H2 G 2 2H2 G 2 1.022 -18.427 4.489
23 1H5* C 3 1H5* C 3 -1.098 -14.072 8.604
24 2H5* C 3 2H5* C 3 -0.715 -12.428 8.106
25 H4* C 3 H4* C 3 0.825 -14.430 7.394
26 H3* C 3 H3* C 3 -0.148 -12.347 5.393
27 H2* C 3 H2* C 3 1.078 -13.457 3.684
28 2HO* C 3 2HO* C 3 2.819 -13.844 5.350
29 H1* C 3 H1* C 3 0.437 -16.008 4.494
30 1H4 C 3 1H4 C 3 -3.656 -15.139 -0.217
31 2H4 C 3 2H4 C 3 -4.823 -14.432 0.880
32 H5 C 3 H5 C 3 -4.242 -13.829 3.245
33 H6 C 3 H6 C 3 -2.498 -13.914 4.893
34 1H5* A 4 1H5* A 4 1.928 -8.463 5.379
35 2H5* A 4 2H5* A 4 0.296 -8.631 4.726
36 H4* A 4 H4* A 4 2.690 -10.433 4.126
37 H3* A 4 H3* A 4 1.034 -8.466 2.489
38 H2* A 4 H2* A 4 1.623 -9.736 0.566
39 2HO* A 4 2HO* A 4 3.862 -9.876 1.556
40 H1* A 4 H1* A 4 1.542 -12.206 1.925
41 H8 A 4 H8 A 4 -1.658 -10.842 2.972
42 1H6 A 4 1H6 A 4 -4.053 -12.469 -2.480
43 2H6 A 4 2H6 A 4 -4.343 -11.942 -0.832
44 H2 A 4 H2 A 4 0.447 -12.549 -2.862
45 1H5* C 5 1H5* C 5 4.785 -7.564 0.499
46 2H5* C 5 2H5* C 5 4.697 -5.865 -0.001
47 H4* C 5 H4* C 5 4.665 -7.501 -1.898
48 H3* C 5 H3* C 5 2.135 -5.846 -1.567
49 H2* C 5 H2* C 5 1.455 -6.846 -3.645
50 2HO* C 5 2HO* C 5 3.801 -6.689 -4.351
51 H1* C 5 H1* C 5 2.336 -9.378 -2.990
52 1H4 C 5 1H4 C 5 -3.962 -9.060 -2.063
53 2H4 C 5 2H4 C 5 -3.770 -8.264 -0.515
54 H5 C 5 H5 C 5 -1.506 -7.602 0.371
55 H6 C 5 H6 C 5 0.849 -7.567 -0.143
56 1H5* U 6 1H5* U 6 3.126 -5.259 -5.621
57 2H5* U 6 2H5* U 6 2.723 -3.651 -6.227
58 H4* U 6 H4* U 6 1.562 -5.613 -7.346
59 H3* U 6 H3* U 6 -0.131 -3.424 -6.128
60 H2* U 6 H2* U 6 -2.083 -4.586 -6.854
61 2HO* U 6 2HO* U 6 -0.827 -5.188 -8.856
62 H1* U 6 H1* U 6 -1.248 -7.067 -6.132
63 H3 U 6 H3 U 6 -4.593 -5.920 -3.241
64 H5 U 6 H5 U 6 -0.981 -4.812 -1.388
65 H6 U 6 H6 U 6 0.133 -5.129 -3.459
66 1H5* C 7 1H5* C 7 -0.871 -2.766 -10.414
67 2H5* C 7 2H5* C 7 -1.016 -1.049 -10.842
68 H4* C 7 H4* C 7 -3.264 -2.265 -10.598
69 H3* C 7 H3* C 7 -2.652 -0.028 -8.636
70 H2* C 7 H2* C 7 -4.844 -0.332 -7.816
71 2HO* C 7 2HO* C 7 -5.935 -0.356 -9.793
72 H1* C 7 H1* C 7 -4.867 -3.127 -8.363
73 1H4 C 7 1H4 C 7 -4.845 -2.591 -2.060
74 2H4 C 7 2H4 C 7 -3.101 -2.419 -1.970
75 H5 C 7 H5 C 7 -1.703 -2.254 -4.139
76 H6 C 7 H6 C 7 -1.894 -2.137 -6.518
77 1H5* U 8 1H5* U 8 -6.442 0.686 -11.500
78 2H5* U 8 2H5* U 8 -6.609 2.450 -11.590
79 H4* U 8 H4* U 8 -8.756 1.267 -11.085
80 H3* U 8 H3* U 8 -7.697 3.156 -8.960
81 H2* U 8 H2* U 8 -9.797 2.782 -7.824
82 2HO* U 8 2HO* U 8 -10.904 2.778 -9.957
83 H1* U 8 H1* U 8 -9.824 0.065 -8.266
84 H3 U 8 H3 U 8 -9.147 0.423 -3.781
85 H5 U 8 H5 U 8 -5.361 1.114 -5.505
86 H6 U 8 H6 U 8 -6.421 1.266 -7.661
87 1H5* G 9 1H5* G 9 -11.861 4.591 -9.776
88 2H5* G 9 2H5* G 9 -11.894 6.334 -9.445
89 H4* G 9 H4* G 9 -13.421 4.941 -7.990
90 H3* G 9 H3* G 9 -11.250 6.542 -6.614
91 H2* G 9 H2* G 9 -12.220 5.792 -4.517
92 2HO* G 9 2HO* G 9 -14.409 5.948 -5.516
93 H1* G 9 H1* G 9 -12.438 3.187 -5.290
94 H8 G 9 H8 G 9 -9.187 4.601 -6.771
95 H1 G 9 H1 G 9 -8.843 3.030 -0.554
96 1H2 G 9 1H2 G 9 -10.947 2.872 0.294
97 2H2 G 9 2H2 G 9 -12.335 2.881 -0.786
98 1H5* G 10 1H5* G 10 -15.094 7.428 -4.493
99 2H5* G 10 2H5* G 10 -15.048 9.106 -3.929
100 H4* G 10 H4* G 10 -15.380 7.351 -2.126
101 H3* G 10 H3* G 10 -12.999 9.212 -1.933
102 H2* G 10 H2* G 10 -12.547 8.195 0.216
103 2HO* G 10 2HO* G 10 -14.932 8.084 0.595
104 H1* G 10 H1* G 10 -12.964 5.626 -0.640
105 H8 G 10 H8 G 10 -11.136 7.352 -3.480
106 H1 G 10 H1 G 10 -7.385 5.846 1.517
107 1H2 G 10 1H2 G 10 -8.689 5.529 3.362
108 2H2 G 10 2H2 G 10 -10.445 5.492 3.221
109 1H5* U 11 1H5* U 11 -14.973 9.378 2.071
110 2H5* U 11 2H5* U 11 -14.836 11.042 2.671
111 H4* U 11 H4* U 11 -13.721 9.316 4.180
112 H3* U 11 H3* U 11 -11.927 11.437 3.018
113 H2* U 11 H2* U 11 -10.288 10.466 4.505
114 2HO* U 11 2HO* U 11 -11.810 10.117 6.226
115 H1* U 11 H1* U 11 -10.861 7.887 3.846
116 H3 U 11 H3 U 11 -6.781 9.019 2.154
117 H5 U 11 H5 U 11 -9.565 10.353 -0.721
118 H6 U 11 H6 U 11 -11.319 9.915 0.852
119 1H5* A 12 1H5* A 12 -12.913 12.640 7.337
120 2H5* A 12 2H5* A 12 -12.320 14.254 7.763
121 H4* A 12 H4* A 12 -10.921 12.239 8.528
122 H3* A 12 H3* A 12 -9.625 14.428 6.914
123 H2* A 12 H2* A 12 -7.561 13.288 7.290
124 2HO* A 12 2HO* A 12 -7.940 12.806 9.495
125 H1* A 12 H1* A 12 -8.639 10.734 6.795
126 H8 A 12 H8 A 12 -10.109 13.167 4.381
127 1H6 A 12 1H6 A 12 -5.099 12.299 0.869
128 2H6 A 12 2H6 A 12 -6.761 12.863 0.938
129 H2 A 12 H2 A 12 -4.123 10.918 5.029
130 1H5* U 13 1H5* U 13 -6.271 15.777 11.206
131 2H5* U 13 2H5* U 13 -6.326 16.427 9.568
132 H4* U 13 H4* U 13 -4.730 14.096 10.625
133 H3* U 13 H3* U 13 -4.380 16.485 8.801
134 H2* U 13 H2* U 13 -2.660 15.442 7.597
135 2HO* U 13 2HO* U 13 -1.722 13.500 8.250
136 H1* U 13 H1* U 13 -3.948 13.036 7.350
137 H3 U 13 H3 U 13 -4.525 14.723 3.190
138 H5 U 13 H5 U 13 -7.737 16.154 5.522
139 H6 U 13 H6 U 13 -6.493 15.564 7.488
140 1H5* C 14 1H5* C 14 -0.657 16.135 9.512
141 2H5* C 14 2H5* C 14 0.106 17.651 10.038
142 H4* C 14 H4* C 14 1.163 16.994 7.989
143 H3* C 14 H3* C 14 -0.842 19.169 7.395
144 H2* C 14 H2* C 14 0.199 19.176 5.161
145 2HO* C 14 2HO* C 14 1.965 17.835 4.715
146 H1* C 14 H1* C 14 -0.074 16.491 4.939
147 1H4 C 14 1H4 C 14 -5.652 18.705 2.800
148 2H4 C 14 2H4 C 14 -6.297 18.840 4.422
149 H5 C 14 H5 C 14 -4.890 18.364 6.439
150 H6 C 14 H6 C 14 -2.707 17.752 7.168
151 1H5* A 15 1H5* A 15 0.497 22.474 6.003
152 2H5* A 15 2H5* A 15 1.436 20.987 5.751
153 H4* A 15 H4* A 15 2.129 23.839 5.171
154 H3* A 15 H3* A 15 1.476 21.743 3.574
155 H2* A 15 H2* A 15 2.989 20.149 4.398
156 2HO* A 15 2HO* A 15 3.991 21.587 2.249
157 H1* A 15 H1* A 15 5.200 22.134 4.411
158 H8 A 15 H8 A 15 3.375 19.654 6.756
159 1H6 A 15 1H6 A 15 9.053 18.169 8.737
160 2H6 A 15 2H6 A 15 7.327 17.835 8.864
161 H2 A 15 H2 A 15 9.457 21.428 5.704
162 1H5* C 16 1H5* C 16 1.706 21.275 0.462
163 2H5* C 16 2H5* C 16 1.649 22.713 -0.531
164 H4* C 16 H4* C 16 0.166 21.004 -1.304
165 H3* C 16 H3* C 16 -0.607 23.652 -1.167
166 H2* C 16 H2* C 16 -1.577 23.530 1.012
167 2HO* C 16 2HO* C 16 -3.431 23.107 -1.042
168 H1* C 16 H1* C 16 -2.982 20.963 0.257
169 1H4 C 16 1H4 C 16 -3.856 21.562 6.645
170 2H4 C 16 2H4 C 16 -2.129 21.385 6.922
171 H5 C 16 H5 C 16 -0.553 21.071 5.025
172 H6 C 16 H6 C 16 -0.296 21.062 2.677
173 1H5* G 17 1H5* G 17 0.882 21.687 -5.058
174 2H5* G 17 2H5* G 17 0.116 20.081 -5.075
175 H4* G 17 H4* G 17 2.739 20.459 -4.927
176 H3* G 17 H3* G 17 1.236 18.299 -3.416
177 H2* G 17 H2* G 17 3.409 17.533 -2.820
178 2HO* G 17 2HO* G 17 3.970 17.990 -5.209
179 H1* G 17 H1* G 17 4.555 20.154 -2.867
180 H8 G 17 H8 G 17 5.776 19.414 -0.710
181 H1 G 17 H1 G 17 0.337 17.667 2.178
182 1H2 G 17 1H2 G 17 -1.344 17.630 0.718
183 2H2 G 17 2H2 G 17 -1.118 18.136 -0.947
184 1H5* G 18 1H5* G 18 3.444 15.871 -4.560
185 2H5* G 18 2H5* G 18 2.765 14.291 -4.918
186 H4* G 18 H4* G 18 4.049 14.837 -2.637
187 H3* G 18 H3* G 18 1.566 13.112 -2.774
188 H2* G 18 H2* G 18 1.882 12.788 -0.397
189 2HO* G 18 2HO* G 18 4.299 12.822 -0.816
190 H1* G 18 H1* G 18 2.396 15.415 0.159
191 H8 G 18 H8 G 18 -0.320 15.124 -2.518
192 H1 G 18 H1 G 18 -2.397 14.211 3.509
193 1H2 G 18 1H2 G 18 -0.622 13.903 4.867
194 2H2 G 18 2H2 G 18 1.023 14.057 4.270
195 1H5* U 19 1H5* U 19 4.570 11.087 -0.258
196 2H5* U 19 2H5* U 19 4.385 9.337 -0.363
197 H4* U 19 H4* U 19 4.097 10.375 1.937
198 H3* U 19 H3* U 19 1.842 8.673 0.825
199 H2* U 19 H2* U 19 0.854 8.891 3.021
200 2HO* U 19 2HO* U 19 2.969 8.747 4.064
201 H1* U 19 H1* U 19 1.276 11.571 3.207
202 H3 U 19 H3 U 19 -3.222 11.294 2.384
203 H5 U 19 H5 U 19 -1.388 11.056 -1.394
204 H6 U 19 H6 U 19 0.718 10.777 -0.310
205 1H5* A 20 1H5* A 20 3.298 6.686 4.454
206 2H5* A 20 2H5* A 20 3.004 4.937 4.369
207 H4* A 20 H4* A 20 1.803 6.102 6.213
208 H3* A 20 H3* A 20 0.000 4.743 4.147
209 H2* A 20 H2* A 20 -1.775 5.336 5.575
210 2HO* A 20 2HO* A 20 -0.235 5.124 7.508
211 H1* A 20 H1* A 20 -1.126 7.784 5.920
212 H8 A 20 H8 A 20 0.078 6.987 2.338
213 1H6 A 20 1H6 A 20 -5.502 8.768 0.461
214 2H6 A 20 2H6 A 20 -3.875 8.306 0.026
215 H2 A 20 H2 A 20 -5.638 8.310 4.962
216 1H5* C 21 1H5* C 21 -1.550 3.942 7.738
217 2H5* C 21 2H5* C 21 -1.983 2.325 7.991
218 H4* C 21 H4* C 21 -3.897 3.797 8.316
219 H3* C 21 H3* C 21 -4.220 2.074 5.821
220 H2* C 21 H2* C 21 -6.396 3.066 5.632
221 2HO* C 21 2HO* C 21 -6.571 3.057 8.044
222 H1* C 21 H1* C 21 -5.497 5.618 6.043
223 1H4 C 21 1H4 C 21 -5.361 5.419 -0.199
224 2H4 C 21 2H4 C 21 -3.693 4.875 -0.211
225 H5 C 21 H5 C 21 -2.529 4.156 1.913
226 H6 C 21 H6 C 21 -2.768 3.981 4.279
227 1H5* C 22 1H5* C 22 -7.787 1.433 8.162
228 2H5* C 22 2H5* C 22 -8.382 -0.228 7.959
229 H4* C 22 H4* C 22 -9.971 1.563 7.141
230 H3* C 22 H3* C 22 -8.906 -0.437 5.117
231 H2* C 22 H2* C 22 -10.362 0.586 3.524
232 2HO* C 22 2HO* C 22 -11.965 0.862 5.376
233 H1* C 22 H1* C 22 -9.823 3.173 4.307
234 1H4 C 22 1H4 C 22 -6.296 2.413 -0.846
235 2H4 C 22 2H4 C 22 -4.959 1.740 0.066
236 H5 C 22 H5 C 22 -5.146 1.300 2.553
237 H6 C 22 H6 C 22 -6.632 1.366 4.424
238 1H5* U 23 1H5* U 23 -13.012 -0.463 4.180
239 2H5* U 23 2H5* U 23 -13.517 -2.122 3.818
240 H4* U 23 H4* U 23 -13.800 -0.557 1.901
241 H3* U 23 H3* U 23 -11.796 -2.801 1.513
242 H2* U 23 H2* U 23 -11.696 -2.073 -0.804
243 2HO* U 23 2HO* U 23 -13.993 -1.631 -0.900
244 H1* U 23 H1* U 23 -11.599 0.582 -0.185
245 H3 U 23 H3 U 23 -7.448 -0.221 -1.763
246 H5 U 23 H5 U 23 -7.389 -1.837 2.128
247 H6 U 23 H6 U 23 -9.756 -1.426 2.280
248 1H5* U 24 1H5* U 24 -14.937 -2.871 -1.713
249 2H5* U 24 2H5* U 24 -15.119 -4.529 -2.308
250 H4* U 24 H4* U 24 -14.492 -2.835 -4.076
251 H3* U 24 H3* U 24 -12.560 -5.116 -3.554
252 H2* U 24 H2* U 24 -11.406 -4.335 -5.540
253 2HO* U 24 2HO* U 24 -13.570 -3.798 -6.505
254 H1* U 24 H1* U 24 -11.544 -1.682 -4.807
255 H3 U 24 H3 U 24 -7.152 -2.687 -4.349
256 H5 U 24 H5 U 24 -8.937 -4.397 -0.959
257 H6 U 24 H6 U 24 -11.114 -3.949 -1.920
258 1H5* U 25 1H5* U 25 -13.318 -5.262 -7.784
259 2H5* U 25 2H5* U 25 -13.324 -6.954 -8.308
260 H4* U 25 H4* U 25 -11.605 -5.591 -9.470
261 H3* U 25 H3* U 25 -10.486 -7.757 -7.650
262 H2* U 25 H2* U 25 -8.403 -7.277 -8.662
263 2HO* U 25 2HO* U 25 -8.161 -6.050 -10.446
264 H1* U 25 H1* U 25 -8.720 -4.545 -8.456
265 H3 U 25 H3 U 25 -5.468 -5.800 -5.483
266 H5 U 25 H5 U 25 -9.069 -6.647 -3.520
267 H6 U 25 H6 U 25 -10.259 -6.191 -5.578
268 1H5* G 26 1H5* G 26 -9.113 -8.563 -11.533
269 2H5* G 26 2H5* G 26 -8.910 -10.296 -11.860
270 H4* G 26 H4* G 26 -6.800 -8.934 -12.050
271 H3* G 26 H3* G 26 -6.898 -11.130 -9.965
272 H2* G 26 H2* G 26 -4.569 -10.644 -9.516
273 2HO* G 26 2HO* G 26 -4.330 -10.200 -11.914
274 H1* G 26 H1* G 26 -4.914 -7.915 -9.488
275 H8 G 26 H8 G 26 -7.997 -9.141 -7.716
276 H1 G 26 H1 G 26 -2.628 -9.578 -4.200
277 1H2 G 26 1H2 G 26 -0.811 -9.588 -5.608
278 2H2 G 26 2H2 G 26 -1.030 -9.310 -7.330
279 1H5* U 27 1H5* U 27 -3.184 -11.704 -12.227
280 2H5* U 27 2H5* U 27 -2.937 -13.434 -12.515
281 H4* U 27 H4* U 27 -1.028 -12.311 -11.297
282 H3* U 27 H3* U 27 -2.523 -14.552 -9.914
283 H2* U 27 H2* U 27 -0.926 -14.367 -8.156
284 2HO* U 27 2HO* U 27 0.855 -14.138 -9.694
285 H1* U 27 H1* U 27 -0.743 -11.600 -8.209
286 H3 U 27 H3 U 27 -2.355 -12.685 -4.087
287 H5 U 27 H5 U 27 -5.688 -12.943 -6.659
288 H6 U 27 H6 U 27 -4.206 -12.688 -8.538
289 1H5* G 28 1H5* G 28 0.108 -18.526 -9.134
290 2H5* G 28 2H5* G 28 -0.731 -17.966 -7.702
291 H4* G 28 H4* G 28 1.842 -17.039 -8.666
292 H3* G 28 H3* G 28 0.808 -18.381 -6.253
293 H2* G 28 H2* G 28 2.112 -17.102 -4.791
294 2HO* G 28 2HO* G 28 3.722 -15.670 -5.478
295 H1* G 28 H1* G 28 1.557 -14.667 -5.819
296 H8 G 28 H8 G 28 -1.661 -16.014 -6.803
297 H1 G 28 H1 G 28 -1.238 -15.576 -0.406
298 1H2 G 28 1H2 G 28 0.939 -15.330 0.206
299 2H2 G 28 2H2 G 28 2.193 -15.149 -1.010
300 1H5* U 29 1H5* U 29 4.550 -18.414 -5.097
301 2H5* U 29 2H5* U 29 5.170 -20.027 -4.697
302 H4* U 29 H4* U 29 5.277 -18.527 -2.752
303 H3* U 29 H3* U 29 3.278 -20.807 -2.510
304 H2* U 29 H2* U 29 2.907 -20.138 -0.269
305 2HO* U 29 2HO* U 29 5.297 -19.523 -0.197
306 H1* U 29 H1* U 29 2.684 -17.482 -0.838
307 H3 U 29 H3 U 29 -1.647 -18.935 -0.094
308 H5 U 29 H5 U 29 -0.939 -19.386 -4.199
309 H6 U 29 H6 U 29 1.356 -18.920 -3.834
310 1H5* C 30 1H5* C 30 5.785 -21.118 0.766
311 2H5* C 30 2H5* C 30 6.219 -22.802 1.110
312 H4* C 30 H4* C 30 5.104 -21.703 3.010
313 H3* C 30 H3* C 30 3.500 -23.914 1.661
314 H2* C 30 H2* C 30 1.953 -23.737 3.474
315 2HO* C 30 2HO* C 30 4.023 -23.344 4.867
316 H1* C 30 H1* C 30 2.155 -20.947 3.637
317 1H4 C 30 1H4 C 30 -3.321 -21.659 0.640
318 2H4 C 30 2H4 C 30 -2.544 -21.807 -0.924
319 H5 C 30 H5 C 30 -0.030 -22.170 -1.101
320 H6 C 30 H6 C 30 2.017 -22.141 0.162
321 H3T C 30 HE C 30 4.478 -25.193 3.149
Start of MODEL 5
1 1H5* G 1 1H5* G 1 -11.436 -22.223 8.515
2 2H5* G 1 2H5* G 1 -11.468 -20.451 8.586
3 H4* G 1 H4* G 1 -9.401 -21.347 9.578
4 H3* G 1 H3* G 1 -9.026 -19.804 7.000
5 H2* G 1 H2* G 1 -6.659 -19.981 7.426
6 2HO* G 1 2HO* G 1 -7.132 -19.737 9.801
7 H1* G 1 H1* G 1 -6.734 -22.613 8.113
8 H8 G 1 H8 G 1 -9.228 -22.144 5.276
9 H1 G 1 H1 G 1 -3.093 -22.155 3.349
10 1H2 G 1 1H2 G 1 -1.736 -21.977 5.176
11 2H2 G 1 2H2 G 1 -2.408 -21.940 6.802
12 1H5* G 2 1H5* G 2 -6.304 -18.097 9.906
13 2H5* G 2 2H5* G 2 -6.170 -16.355 9.630
14 H4* G 2 H4* G 2 -3.968 -17.605 9.428
15 H3* G 2 H3* G 2 -4.950 -16.179 6.945
16 H2* G 2 H2* G 2 -2.752 -16.633 6.147
17 2HO* G 2 2HO* G 2 -1.853 -16.217 8.350
18 H1* G 2 H1* G 2 -2.698 -19.228 7.122
19 H8 G 2 H8 G 2 -6.090 -18.663 5.554
20 H1 G 2 H1 G 2 -1.293 -18.936 1.251
21 1H2 G 2 1H2 G 2 0.661 -18.873 2.301
22 2H2 G 2 2H2 G 2 0.762 -18.846 4.058
23 1H5* C 3 1H5* C 3 -1.244 -14.631 8.310
24 2H5* C 3 2H5* C 3 -0.906 -12.963 7.872
25 H4* C 3 H4* C 3 0.621 -14.851 6.977
26 H3* C 3 H3* C 3 -0.625 -12.805 5.077
27 H2* C 3 H2* C 3 0.581 -13.807 3.290
28 2HO* C 3 2HO* C 3 2.466 -14.023 4.780
29 H1* C 3 H1* C 3 0.189 -16.408 4.120
30 1H4 C 3 1H4 C 3 -4.141 -15.604 -0.429
31 2H4 C 3 2H4 C 3 -5.291 -14.957 0.720
32 H5 C 3 H5 C 3 -4.659 -14.462 3.096
33 H6 C 3 H6 C 3 -2.866 -14.542 4.685
34 1H5* A 4 1H5* A 4 1.598 -8.802 4.249
35 2H5* A 4 2H5* A 4 0.437 -9.413 3.073
36 H4* A 4 H4* A 4 3.188 -10.492 3.755
37 H3* A 4 H3* A 4 1.809 -9.281 1.391
38 H2* A 4 H2* A 4 2.530 -10.842 -0.190
39 2HO* A 4 2HO* A 4 4.675 -10.760 1.114
40 H1* A 4 H1* A 4 2.257 -13.103 1.268
41 H8 A 4 H8 A 4 -0.663 -11.518 2.753
42 1H6 A 4 1H6 A 4 -3.831 -13.037 -2.328
43 2H6 A 4 2H6 A 4 -3.889 -12.504 -0.659
44 H2 A 4 H2 A 4 0.555 -13.343 -3.302
45 1H5* C 5 1H5* C 5 5.373 -8.332 -0.333
46 2H5* C 5 2H5* C 5 5.308 -6.650 -0.895
47 H4* C 5 H4* C 5 5.078 -8.334 -2.729
48 H3* C 5 H3* C 5 2.634 -6.604 -2.222
49 H2* C 5 H2* C 5 1.724 -7.630 -4.203
50 2HO* C 5 2HO* C 5 3.992 -7.558 -5.130
51 H1* C 5 H1* C 5 2.582 -10.176 -3.568
52 1H4 C 5 1H4 C 5 -3.568 -9.569 -2.040
53 2H4 C 5 2H4 C 5 -3.203 -8.737 -0.541
54 H5 C 5 H5 C 5 -0.820 -8.253 0.154
55 H6 C 5 H6 C 5 1.465 -8.301 -0.607
56 1H5* U 6 1H5* U 6 3.290 -6.098 -6.329
57 2H5* U 6 2H5* U 6 2.948 -4.465 -6.908
58 H4* U 6 H4* U 6 1.552 -6.301 -7.939
59 H3* U 6 H3* U 6 0.125 -4.077 -6.467
60 H2* U 6 H2* U 6 -1.957 -5.110 -7.033
61 2HO* U 6 2HO* U 6 -0.983 -5.665 -9.179
62 H1* U 6 H1* U 6 -1.182 -7.658 -6.509
63 H3 U 6 H3 U 6 -4.205 -6.444 -3.295
64 H5 U 6 H5 U 6 -0.403 -5.506 -1.752
65 H6 U 6 H6 U 6 0.512 -5.823 -3.926
66 1H5* C 7 1H5* C 7 -0.739 -3.229 -10.777
67 2H5* C 7 2H5* C 7 -0.916 -1.506 -11.160
68 H4* C 7 H4* C 7 -3.129 -2.702 -10.720
69 H3* C 7 H3* C 7 -2.311 -0.494 -8.803
70 H2* C 7 H2* C 7 -4.450 -0.746 -7.827
71 2HO* C 7 2HO* C 7 -5.675 -0.742 -9.728
72 H1* C 7 H1* C 7 -4.574 -3.544 -8.376
73 1H4 C 7 1H4 C 7 -4.166 -3.191 -2.112
74 2H4 C 7 2H4 C 7 -2.415 -3.031 -2.115
75 H5 C 7 H5 C 7 -1.150 -2.793 -4.355
76 H6 C 7 H6 C 7 -1.481 -2.586 -6.717
77 1H5* U 8 1H5* U 8 -6.196 0.193 -11.448
78 2H5* U 8 2H5* U 8 -6.357 1.950 -11.625
79 H4* U 8 H4* U 8 -8.498 0.824 -10.997
80 H3* U 8 H3* U 8 -7.331 2.790 -8.999
81 H2* U 8 H2* U 8 -9.400 2.522 -7.786
82 2HO* U 8 2HO* U 8 -10.561 2.435 -9.895
83 H1* U 8 H1* U 8 -9.506 -0.214 -8.097
84 H3 U 8 H3 U 8 -8.701 0.398 -3.636
85 H5 U 8 H5 U 8 -4.943 0.782 -5.499
86 H6 U 8 H6 U 8 -6.048 0.846 -7.634
87 1H5* G 9 1H5* G 9 -11.445 4.228 -9.807
88 2H5* G 9 2H5* G 9 -11.470 5.988 -9.590
89 H4* G 9 H4* G 9 -12.972 4.716 -8.017
90 H3* G 9 H3* G 9 -10.735 6.351 -6.791
91 H2* G 9 H2* G 9 -11.696 5.768 -4.639
92 2HO* G 9 2HO* G 9 -13.894 5.906 -5.629
93 H1* G 9 H1* G 9 -11.989 3.122 -5.235
94 H8 G 9 H8 G 9 -8.730 4.374 -6.833
95 H1 G 9 H1 G 9 -8.321 3.151 -0.538
96 1H2 G 9 1H2 G 9 -10.416 3.047 0.345
97 2H2 G 9 2H2 G 9 -11.815 3.003 -0.718
98 1H5* G 10 1H5* G 10 -14.536 7.455 -4.780
99 2H5* G 10 2H5* G 10 -14.467 9.142 -4.253
100 H4* G 10 H4* G 10 -14.844 7.404 -2.428
101 H3* G 10 H3* G 10 -12.489 9.293 -2.223
102 H2* G 10 H2* G 10 -12.080 8.322 -0.041
103 2HO* G 10 2HO* G 10 -14.487 8.187 0.253
104 H1* G 10 H1* G 10 -12.446 5.733 -0.849
105 H8 G 10 H8 G 10 -10.570 7.363 -3.700
106 H1 G 10 H1 G 10 -6.907 6.091 1.428
107 1H2 G 10 1H2 G 10 -8.241 5.840 3.257
108 2H2 G 10 2H2 G 10 -9.992 5.766 3.084
109 1H5* U 11 1H5* U 11 -14.650 9.490 1.658
110 2H5* U 11 2H5* U 11 -14.555 11.148 2.279
111 H4* U 11 H4* U 11 -13.516 9.400 3.812
112 H3* U 11 H3* U 11 -11.683 11.573 2.796
113 H2* U 11 H2* U 11 -10.104 10.605 4.339
114 2HO* U 11 2HO* U 11 -11.749 10.193 5.952
115 H1* U 11 H1* U 11 -10.581 8.033 3.600
116 H3 U 11 H3 U 11 -6.459 9.305 2.104
117 H5 U 11 H5 U 11 -9.159 10.566 -0.879
118 H6 U 11 H6 U 11 -10.961 10.090 0.620
119 1H5* A 12 1H5* A 12 -13.048 12.736 7.042
120 2H5* A 12 2H5* A 12 -12.533 14.362 7.510
121 H4* A 12 H4* A 12 -11.075 12.415 8.299
122 H3* A 12 H3* A 12 -9.831 14.659 6.723
123 H2* A 12 H2* A 12 -7.725 13.612 7.199
124 2HO* A 12 2HO* A 12 -8.193 13.126 9.390
125 H1* A 12 H1* A 12 -8.643 11.026 6.681
126 H8 A 12 H8 A 12 -10.130 13.365 4.178
127 1H6 A 12 1H6 A 12 -4.940 12.674 0.884
128 2H6 A 12 2H6 A 12 -6.623 13.179 0.877
129 H2 A 12 H2 A 12 -4.086 11.372 5.093
130 1H5* U 13 1H5* U 13 -6.691 16.204 11.077
131 2H5* U 13 2H5* U 13 -6.719 16.771 9.410
132 H4* U 13 H4* U 13 -5.117 14.503 10.606
133 H3* U 13 H3* U 13 -4.735 16.900 8.802
134 H2* U 13 H2* U 13 -2.951 15.920 7.661
135 2HO* U 13 2HO* U 13 -1.965 14.011 8.348
136 H1* U 13 H1* U 13 -4.132 13.463 7.368
137 H3 U 13 H3 U 13 -4.538 15.172 3.185
138 H5 U 13 H5 U 13 -7.948 16.409 5.336
139 H6 U 13 H6 U 13 -6.790 15.860 7.364
140 1H5* C 14 1H5* C 14 -1.088 16.742 9.632
141 2H5* C 14 2H5* C 14 -0.434 18.286 10.215
142 H4* C 14 H4* C 14 0.718 17.790 8.194
143 H3* C 14 H3* C 14 -1.486 19.740 7.516
144 H2* C 14 H2* C 14 -0.313 19.892 5.357
145 2HO* C 14 2HO* C 14 1.585 18.812 4.982
146 H1* C 14 H1* C 14 -0.363 17.200 5.098
147 1H4 C 14 1H4 C 14 -5.994 19.170 2.813
148 2H4 C 14 2H4 C 14 -6.699 19.216 4.415
149 H5 C 14 H5 C 14 -5.349 18.701 6.461
150 H6 C 14 H6 C 14 -3.170 18.174 7.251
151 1H5* A 15 1H5* A 15 -0.521 23.144 6.137
152 2H5* A 15 2H5* A 15 0.646 21.818 5.959
153 H4* A 15 H4* A 15 0.941 24.748 5.427
154 H3* A 15 H3* A 15 0.808 22.616 3.740
155 H2* A 15 H2* A 15 2.400 21.241 4.774
156 2HO* A 15 2HO* A 15 3.381 21.294 2.761
157 H1* A 15 H1* A 15 4.298 23.501 5.017
158 H8 A 15 H8 A 15 2.635 20.678 7.072
159 1H6 A 15 1H6 A 15 8.067 20.280 10.010
160 2H6 A 15 2H6 A 15 6.451 19.603 9.827
161 H2 A 15 H2 A 15 8.311 23.684 7.125
162 1H5* C 16 1H5* C 16 1.150 22.380 0.791
163 2H5* C 16 2H5* C 16 1.172 23.824 -0.198
164 H4* C 16 H4* C 16 -0.162 22.146 -1.228
165 H3* C 16 H3* C 16 -1.202 24.662 -1.077
166 H2* C 16 H2* C 16 -2.253 24.365 1.044
167 2HO* C 16 2HO* C 16 -4.560 23.784 0.513
168 H1* C 16 H1* C 16 -3.378 21.717 0.156
169 1H4 C 16 1H4 C 16 -4.653 22.078 6.480
170 2H4 C 16 2H4 C 16 -2.954 21.861 6.854
171 H5 C 16 H5 C 16 -1.269 21.616 5.042
172 H6 C 16 H6 C 16 -0.835 21.778 2.731
173 1H5* G 17 1H5* G 17 -0.527 21.097 -4.690
174 2H5* G 17 2H5* G 17 -0.541 20.963 -2.930
175 H4* G 17 H4* G 17 1.895 21.602 -4.676
176 H3* G 17 H3* G 17 1.040 19.171 -3.066
177 H2* G 17 H2* G 17 3.274 18.774 -2.511
178 2HO* G 17 2HO* G 17 3.679 19.314 -4.944
179 H1* G 17 H1* G 17 4.084 21.500 -2.590
180 H8 G 17 H8 G 17 5.291 20.999 -0.321
181 H1 G 17 H1 G 17 -0.050 18.660 2.332
182 1H2 G 17 1H2 G 17 -1.653 18.426 0.810
183 2H2 G 17 2H2 G 17 -1.404 18.931 -0.849
184 1H5* G 18 1H5* G 18 3.543 17.076 -4.148
185 2H5* G 18 2H5* G 18 3.092 15.399 -4.478
186 H4* G 18 H4* G 18 4.247 16.085 -2.194
187 H3* G 18 H3* G 18 1.893 14.197 -2.376
188 H2* G 18 H2* G 18 2.111 13.915 0.006
189 2HO* G 18 2HO* G 18 4.544 14.102 -0.298
190 H1* G 18 H1* G 18 2.431 16.585 0.555
191 H8 G 18 H8 G 18 -0.121 16.119 -2.242
192 H1 G 18 H1 G 18 -2.420 14.735 3.609
193 1H2 G 18 1H2 G 18 -0.701 14.507 5.047
194 2H2 G 18 2H2 G 18 0.951 14.859 4.565
195 1H5* U 19 1H5* U 19 4.832 12.344 0.274
196 2H5* U 19 2H5* U 19 4.789 10.588 0.110
197 H4* U 19 H4* U 19 4.299 11.518 2.414
198 H3* U 19 H3* U 19 2.220 9.706 1.134
199 H2* U 19 H2* U 19 1.122 9.790 3.284
200 2HO* U 19 2HO* U 19 3.160 9.748 4.448
201 H1* U 19 H1* U 19 1.332 12.480 3.560
202 H3 U 19 H3 U 19 -3.081 11.715 2.468
203 H5 U 19 H5 U 19 -1.019 12.002 -1.191
204 H6 U 19 H6 U 19 1.034 11.912 -0.002
205 1H5* A 20 1H5* A 20 3.687 7.687 4.755
206 2H5* A 20 2H5* A 20 3.493 5.930 4.641
207 H4* A 20 H4* A 20 2.182 7.023 6.461
208 H3* A 20 H3* A 20 0.489 5.573 4.359
209 H2* A 20 H2* A 20 -1.336 6.079 5.760
210 2HO* A 20 2HO* A 20 0.189 5.965 7.722
211 H1* A 20 H1* A 20 -0.832 8.567 6.076
212 H8 A 20 H8 A 20 0.538 7.850 2.543
213 1H6 A 20 1H6 A 20 -5.105 9.050 0.448
214 2H6 A 20 2H6 A 20 -3.434 8.699 0.083
215 H2 A 20 H2 A 20 -5.353 8.746 4.960
216 1H5* C 21 1H5* C 21 -1.126 4.713 7.892
217 2H5* C 21 2H5* C 21 -1.518 3.079 8.128
218 H4* C 21 H4* C 21 -3.473 4.509 8.391
219 H3* C 21 H3* C 21 -3.690 2.731 5.922
220 H2* C 21 H2* C 21 -5.907 3.622 5.714
221 2HO* C 21 2HO* C 21 -6.110 3.677 8.115
222 H1* C 21 H1* C 21 -5.113 6.209 6.023
223 1H4 C 21 1H4 C 21 -4.841 5.617 -0.208
224 2H4 C 21 2H4 C 21 -3.141 5.188 -0.155
225 H5 C 21 H5 C 21 -1.971 4.723 2.036
226 H6 C 21 H6 C 21 -2.251 4.690 4.406
227 1H5* C 22 1H5* C 22 -7.218 2.050 8.305
228 2H5* C 22 2H5* C 22 -7.788 0.374 8.166
229 H4* C 22 H4* C 22 -9.415 2.122 7.317
230 H3* C 22 H3* C 22 -8.366 0.047 5.365
231 H2* C 22 H2* C 22 -9.871 0.985 3.754
232 2HO* C 22 2HO* C 22 -11.429 1.340 5.631
233 H1* C 22 H1* C 22 -9.321 3.605 4.389
234 1H4 C 22 1H4 C 22 -5.866 2.562 -0.763
235 2H4 C 22 2H4 C 22 -4.510 1.955 0.158
236 H5 C 22 H5 C 22 -4.636 1.733 2.690
237 H6 C 22 H6 C 22 -6.091 1.894 4.571
238 1H5* U 23 1H5* U 23 -12.460 -0.041 4.437
239 2H5* U 23 2H5* U 23 -12.959 -1.721 4.186
240 H4* U 23 H4* U 23 -13.260 -0.295 2.170
241 H3* U 23 H3* U 23 -11.226 -2.534 1.923
242 H2* U 23 H2* U 23 -11.159 -1.968 -0.440
243 2HO* U 23 2HO* U 23 -13.494 -1.544 -0.457
244 H1* U 23 H1* U 23 -11.100 0.736 0.003
245 H3 U 23 H3 U 23 -6.968 -0.190 -1.597
246 H5 U 23 H5 U 23 -6.835 -1.482 2.414
247 H6 U 23 H6 U 23 -9.198 -1.056 2.577
248 1H5* U 24 1H5* U 24 -14.358 -2.814 -1.251
249 2H5* U 24 2H5* U 24 -14.562 -4.498 -1.748
250 H4* U 24 H4* U 24 -13.945 -2.882 -3.603
251 H3* U 24 H3* U 24 -12.088 -5.211 -3.028
252 H2* U 24 H2* U 24 -10.962 -4.566 -5.080
253 2HO* U 24 2HO* U 24 -13.146 -4.021 -5.997
254 H1* U 24 H1* U 24 -11.029 -1.862 -4.495
255 H3 U 24 H3 U 24 -6.624 -2.928 -4.173
256 H5 U 24 H5 U 24 -8.295 -4.471 -0.650
257 H6 U 24 H6 U 24 -10.505 -3.999 -1.525
258 1H5* U 25 1H5* U 25 -13.161 -5.503 -7.213
259 2H5* U 25 2H5* U 25 -13.288 -7.210 -7.671
260 H4* U 25 H4* U 25 -11.610 -5.965 -9.013
261 H3* U 25 H3* U 25 -10.466 -8.154 -7.229
262 H2* U 25 H2* U 25 -8.418 -7.779 -8.388
263 2HO* U 25 2HO* U 25 -9.637 -7.459 -10.427
264 H1* U 25 H1* U 25 -8.599 -5.037 -8.268
265 H3 U 25 H3 U 25 -5.238 -6.147 -5.377
266 H5 U 25 H5 U 25 -8.749 -6.897 -3.219
267 H6 U 25 H6 U 25 -10.024 -6.545 -5.239
268 1H5* G 26 1H5* G 26 -9.482 -9.353 -11.226
269 2H5* G 26 2H5* G 26 -9.394 -11.121 -11.346
270 H4* G 26 H4* G 26 -7.237 -9.891 -11.807
271 H3* G 26 H3* G 26 -7.282 -11.850 -9.492
272 H2* G 26 H2* G 26 -4.895 -11.453 -9.327
273 2HO* G 26 2HO* G 26 -4.808 -11.323 -11.740
274 H1* G 26 H1* G 26 -5.117 -8.729 -9.563
275 H8 G 26 H8 G 26 -8.055 -9.663 -7.399
276 H1 G 26 H1 G 26 -2.401 -10.079 -4.359
277 1H2 G 26 1H2 G 26 -0.724 -10.192 -5.914
278 2H2 G 26 2H2 G 26 -1.073 -9.944 -7.619
279 1H5* U 27 1H5* U 27 -3.914 -12.992 -12.138
280 2H5* U 27 2H5* U 27 -3.689 -14.747 -12.122
281 H4* U 27 H4* U 27 -1.684 -13.369 -11.368
282 H3* U 27 H3* U 27 -2.832 -15.391 -9.412
283 H2* U 27 H2* U 27 -1.059 -14.791 -7.951
284 2HO* U 27 2HO* U 27 0.413 -14.649 -9.861
285 H1* U 27 H1* U 27 -1.213 -12.106 -8.352
286 H3 U 27 H3 U 27 -2.369 -13.273 -4.065
287 H5 U 27 H5 U 27 -5.922 -13.544 -6.328
288 H6 U 27 H6 U 27 -4.607 -13.327 -8.322
289 1H5* G 28 1H5* G 28 -0.799 -19.659 -9.540
290 2H5* G 28 2H5* G 28 -1.611 -19.244 -8.048
291 H4* G 28 H4* G 28 0.869 -18.152 -9.082
292 H3* G 28 H3* G 28 -0.067 -19.465 -6.593
293 H2* G 28 H2* G 28 1.315 -18.152 -5.228
294 2HO* G 28 2HO* G 28 2.907 -16.777 -6.029
295 H1* G 28 H1* G 28 0.747 -15.740 -6.325
296 H8 G 28 H8 G 28 -2.549 -17.030 -7.019
297 H1 G 28 H1 G 28 -1.715 -16.171 -0.703
298 1H2 G 28 1H2 G 28 0.498 -16.022 -0.231
299 2H2 G 28 2H2 G 28 1.694 -16.014 -1.515
300 1H5* U 29 1H5* U 29 3.748 -19.518 -5.656
301 2H5* U 29 2H5* U 29 4.358 -21.125 -5.220
302 H4* U 29 H4* U 29 4.575 -19.572 -3.332
303 H3* U 29 H3* U 29 2.501 -21.759 -2.922
304 H2* U 29 H2* U 29 2.276 -20.983 -0.691
305 2HO* U 29 2HO* U 29 4.678 -20.480 -0.730
306 H1* U 29 H1* U 29 2.131 -18.347 -1.365
307 H3 U 29 H3 U 29 -2.213 -19.542 -0.327
308 H5 U 29 H5 U 29 -1.729 -20.372 -4.403
309 H6 U 29 H6 U 29 0.602 -19.973 -4.188
310 1H5* C 30 1H5* C 30 5.247 -22.069 0.206
311 2H5* C 30 2H5* C 30 5.583 -23.756 0.632
312 H4* C 30 H4* C 30 4.655 -22.412 2.511
313 H3* C 30 H3* C 30 2.925 -24.695 1.475
314 H2* C 30 H2* C 30 1.436 -24.270 3.273
315 2HO* C 30 2HO* C 30 2.051 -22.948 5.030
316 H1* C 30 H1* C 30 1.789 -21.469 3.212
317 1H4 C 30 1H4 C 30 -3.911 -22.223 0.686
318 2H4 C 30 2H4 C 30 -3.252 -22.485 -0.916
319 H5 C 30 H5 C 30 -0.766 -22.933 -1.246
320 H6 C 30 H6 C 30 1.365 -22.911 -0.130
321 H3T C 30 HE C 30 4.237 -24.555 3.935
Start of MODEL 6
1 1H5* G 1 1H5* G 1 -11.184 -23.739 6.220
2 2H5* G 1 2H5* G 1 -11.619 -22.050 6.533
3 H4* G 1 H4* G 1 -9.610 -22.580 7.775
4 H3* G 1 H3* G 1 -9.013 -20.837 5.373
5 H2* G 1 H2* G 1 -6.797 -20.642 6.277
6 2HO* G 1 2HO* G 1 -7.749 -20.657 8.516
7 H1* G 1 H1* G 1 -6.538 -23.297 6.788
8 H8 G 1 H8 G 1 -8.552 -23.138 3.592
9 H1 G 1 H1 G 1 -2.361 -21.631 2.731
10 1H2 G 1 1H2 G 1 -1.369 -21.344 4.766
11 2H2 G 1 2H2 G 1 -2.270 -21.588 6.258
12 1H5* G 2 1H5* G 2 -7.326 -18.874 8.702
13 2H5* G 2 2H5* G 2 -7.485 -17.121 8.550
14 H4* G 2 H4* G 2 -5.090 -17.951 8.734
15 H3* G 2 H3* G 2 -5.844 -16.463 6.203
16 H2* G 2 H2* G 2 -3.498 -16.456 5.809
17 2HO* G 2 2HO* G 2 -3.079 -16.108 8.154
18 H1* G 2 H1* G 2 -3.126 -19.086 6.579
19 H8 G 2 H8 G 2 -6.260 -19.047 4.500
20 H1 G 2 H1 G 2 -0.911 -17.973 1.047
21 1H2 G 2 1H2 G 2 0.826 -17.740 2.415
22 2H2 G 2 2H2 G 2 0.649 -17.846 4.162
23 1H5* C 3 1H5* C 3 -2.788 -14.386 8.375
24 2H5* C 3 2H5* C 3 -2.673 -12.661 8.016
25 H4* C 3 H4* C 3 -0.718 -14.245 7.410
26 H3* C 3 H3* C 3 -1.859 -12.291 5.353
27 H2* C 3 H2* C 3 -0.071 -12.925 3.911
28 2HO* C 3 2HO* C 3 1.393 -13.022 5.832
29 H1* C 3 H1* C 3 -0.316 -15.604 4.427
30 1H4 C 3 1H4 C 3 -3.885 -15.158 -0.749
31 2H4 C 3 2H4 C 3 -5.304 -14.842 0.224
32 H5 C 3 H5 C 3 -5.170 -14.428 2.680
33 H6 C 3 H6 C 3 -3.689 -14.319 4.543
34 1H5* A 4 1H5* A 4 2.211 -11.051 5.705
35 2H5* A 4 2H5* A 4 2.342 -9.294 5.494
36 H4* A 4 H4* A 4 3.534 -10.659 3.745
37 H3* A 4 H3* A 4 1.272 -8.869 2.792
38 H2* A 4 H2* A 4 1.936 -9.468 0.570
39 2HO* A 4 2HO* A 4 4.234 -9.379 1.209
40 H1* A 4 H1* A 4 2.244 -12.147 1.153
41 H8 A 4 H8 A 4 -0.847 -10.990 3.003
42 1H6 A 4 1H6 A 4 -3.839 -12.311 -2.275
43 2H6 A 4 2H6 A 4 -3.991 -11.970 -0.558
44 H2 A 4 H2 A 4 0.542 -12.091 -3.181
45 1H5* C 5 1H5* C 5 4.821 -7.324 0.629
46 2H5* C 5 2H5* C 5 4.564 -5.607 0.260
47 H4* C 5 H4* C 5 4.723 -7.141 -1.753
48 H3* C 5 H3* C 5 2.123 -5.609 -1.390
49 H2* C 5 H2* C 5 1.500 -6.533 -3.519
50 2HO* C 5 2HO* C 5 3.841 -6.288 -4.198
51 H1* C 5 H1* C 5 2.404 -9.071 -2.960
52 1H4 C 5 1H4 C 5 -3.875 -8.983 -1.953
53 2H4 C 5 2H4 C 5 -3.676 -8.324 -0.341
54 H5 C 5 H5 C 5 -1.420 -7.665 0.554
55 H6 C 5 H6 C 5 0.912 -7.502 0.007
56 1H5* U 6 1H5* U 6 3.057 -4.899 -5.454
57 2H5* U 6 2H5* U 6 2.577 -3.294 -6.002
58 H4* U 6 H4* U 6 1.472 -5.262 -7.166
59 H3* U 6 H3* U 6 -0.283 -3.192 -5.838
60 H2* U 6 H2* U 6 -2.202 -4.420 -6.567
61 2HO* U 6 2HO* U 6 -0.987 -4.888 -8.616
62 H1* U 6 H1* U 6 -1.241 -6.887 -5.948
63 H3 U 6 H3 U 6 -4.604 -5.959 -2.991
64 H5 U 6 H5 U 6 -1.039 -4.674 -1.165
65 H6 U 6 H6 U 6 0.074 -4.920 -3.250
66 1H5* C 7 1H5* C 7 -0.908 -2.429 -10.199
67 2H5* C 7 2H5* C 7 -1.209 -0.726 -10.596
68 H4* C 7 H4* C 7 -3.334 -2.128 -10.328
69 H3* C 7 H3* C 7 -2.870 0.151 -8.377
70 H2* C 7 H2* C 7 -5.022 -0.304 -7.534
71 2HO* C 7 2HO* C 7 -6.124 -0.396 -9.505
72 H1* C 7 H1* C 7 -4.867 -3.099 -8.094
73 1H4 C 7 1H4 C 7 -4.922 -2.720 -1.805
74 2H4 C 7 2H4 C 7 -3.203 -2.390 -1.691
75 H5 C 7 H5 C 7 -1.814 -2.034 -3.842
76 H6 C 7 H6 C 7 -1.996 -1.869 -6.221
77 1H5* U 8 1H5* U 8 -6.722 0.533 -11.159
78 2H5* U 8 2H5* U 8 -6.993 2.280 -11.312
79 H4* U 8 H4* U 8 -9.067 1.035 -10.720
80 H3* U 8 H3* U 8 -8.015 2.992 -8.652
81 H2* U 8 H2* U 8 -10.075 2.584 -7.464
82 2HO* U 8 2HO* U 8 -11.213 2.510 -9.593
83 H1* U 8 H1* U 8 -10.043 -0.143 -7.878
84 H3 U 8 H3 U 8 -9.280 0.234 -3.397
85 H5 U 8 H5 U 8 -5.562 1.032 -5.199
86 H6 U 8 H6 U 8 -6.671 1.177 -7.334
87 1H5* G 9 1H5* G 9 -12.161 4.325 -9.381
88 2H5* G 9 2H5* G 9 -12.208 6.081 -9.132
89 H4* G 9 H4* G 9 -13.670 4.792 -7.555
90 H3* G 9 H3* G 9 -11.384 6.353 -6.319
91 H2* G 9 H2* G 9 -12.329 5.724 -4.171
92 2HO* G 9 2HO* G 9 -14.534 5.940 -5.125
93 H1* G 9 H1* G 9 -12.682 3.103 -4.854
94 H8 G 9 H8 G 9 -9.413 4.394 -6.425
95 H1 G 9 H1 G 9 -8.993 2.891 -0.192
96 1H2 G 9 1H2 G 9 -11.092 2.753 0.684
97 2H2 G 9 2H2 G 9 -12.492 2.770 -0.380
98 1H5* G 10 1H5* G 10 -15.126 7.497 -4.188
99 2H5* G 10 2H5* G 10 -14.993 9.185 -3.670
100 H4* G 10 H4* G 10 -15.402 7.510 -1.818
101 H3* G 10 H3* G 10 -12.902 9.217 -1.691
102 H2* G 10 H2* G 10 -12.549 8.255 0.506
103 2HO* G 10 2HO* G 10 -14.955 8.322 0.828
104 H1* G 10 H1* G 10 -13.133 5.688 -0.270
105 H8 G 10 H8 G 10 -11.156 7.207 -3.128
106 H1 G 10 H1 G 10 -7.560 5.666 1.972
107 1H2 G 10 1H2 G 10 -8.904 5.482 3.801
108 2H2 G 10 2H2 G 10 -10.658 5.526 3.641
109 1H5* U 11 1H5* U 11 -14.859 9.727 2.257
110 2H5* U 11 2H5* U 11 -14.611 11.407 2.769
111 H4* U 11 H4* U 11 -13.637 9.708 4.374
112 H3* U 11 H3* U 11 -11.652 11.591 3.095
113 H2* U 11 H2* U 11 -10.104 10.598 4.652
114 2HO* U 11 2HO* U 11 -11.686 10.493 6.364
115 H1* U 11 H1* U 11 -10.884 8.031 4.148
116 H3 U 11 H3 U 11 -6.718 8.836 2.454
117 H5 U 11 H5 U 11 -9.385 10.157 -0.537
118 H6 U 11 H6 U 11 -11.185 9.888 1.029
119 1H5* A 12 1H5* A 12 -12.795 13.263 7.272
120 2H5* A 12 2H5* A 12 -12.117 14.865 7.589
121 H4* A 12 H4* A 12 -10.832 12.869 8.526
122 H3* A 12 H3* A 12 -9.411 14.833 6.739
123 H2* A 12 H2* A 12 -7.407 13.639 7.282
124 2HO* A 12 2HO* A 12 -7.901 13.413 9.522
125 H1* A 12 H1* A 12 -8.574 11.115 7.020
126 H8 A 12 H8 A 12 -9.895 13.351 4.333
127 1H6 A 12 1H6 A 12 -4.809 11.991 1.078
128 2H6 A 12 2H6 A 12 -6.450 12.617 1.037
129 H2 A 12 H2 A 12 -4.029 10.937 5.371
130 1H5* U 13 1H5* U 13 -6.086 16.624 10.806
131 2H5* U 13 2H5* U 13 -6.120 16.995 9.085
132 H4* U 13 H4* U 13 -4.632 14.787 10.511
133 H3* U 13 H3* U 13 -4.129 16.945 8.449
134 H2* U 13 H2* U 13 -2.451 15.707 7.369
135 2HO* U 13 2HO* U 13 -1.847 14.917 9.670
136 H1* U 13 H1* U 13 -3.787 13.312 7.400
137 H3 U 13 H3 U 13 -4.202 14.603 3.057
138 H5 U 13 H5 U 13 -7.468 16.286 5.134
139 H6 U 13 H6 U 13 -6.292 15.872 7.187
140 1H5* C 14 1H5* C 14 -0.479 16.688 9.215
141 2H5* C 14 2H5* C 14 0.243 18.254 9.643
142 H4* C 14 H4* C 14 1.322 17.537 7.649
143 H3* C 14 H3* C 14 -0.852 19.473 6.834
144 H2* C 14 H2* C 14 0.271 19.388 4.644
145 2HO* C 14 2HO* C 14 2.137 18.107 4.372
146 H1* C 14 H1* C 14 0.154 16.664 4.673
147 1H4 C 14 1H4 C 14 -5.429 18.635 2.267
148 2H4 C 14 2H4 C 14 -6.118 18.835 3.864
149 H5 C 14 H5 C 14 -4.757 18.458 5.938
150 H6 C 14 H6 C 14 -2.585 17.934 6.749
151 1H5* A 15 1H5* A 15 0.253 22.632 4.953
152 2H5* A 15 2H5* A 15 1.374 21.257 4.948
153 H4* A 15 H4* A 15 1.796 24.117 4.124
154 H3* A 15 H3* A 15 1.384 21.878 2.646
155 H2* A 15 H2* A 15 2.986 20.473 3.668
156 2HO* A 15 2HO* A 15 3.967 21.820 1.436
157 H1* A 15 H1* A 15 5.031 22.643 3.553
158 H8 A 15 H8 A 15 3.388 20.226 6.093
159 1H6 A 15 1H6 A 15 9.113 19.580 8.368
160 2H6 A 15 2H6 A 15 7.433 19.062 8.479
161 H2 A 15 H2 A 15 9.283 22.543 5.031
162 1H5* C 16 1H5* C 16 1.665 21.155 -0.077
163 2H5* C 16 2H5* C 16 1.917 22.418 -1.259
164 H4* C 16 H4* C 16 0.527 20.791 -2.196
165 H3* C 16 H3* C 16 -0.369 23.356 -2.354
166 H2* C 16 H2* C 16 -1.583 23.391 -0.307
167 2HO* C 16 2HO* C 16 -3.137 22.702 -2.520
168 H1* C 16 H1* C 16 -2.838 20.742 -0.901
169 1H4 C 16 1H4 C 16 -3.960 21.821 5.382
170 2H4 C 16 2H4 C 16 -2.257 21.621 5.753
171 H5 C 16 H5 C 16 -0.616 21.101 3.954
172 H6 C 16 H6 C 16 -0.248 20.950 1.624
173 1H5* G 17 1H5* G 17 0.207 19.362 -5.479
174 2H5* G 17 2H5* G 17 0.122 19.444 -3.721
175 H4* G 17 H4* G 17 2.655 19.711 -5.422
176 H3* G 17 H3* G 17 1.607 17.546 -3.557
177 H2* G 17 H2* G 17 3.830 17.059 -2.988
178 2HO* G 17 2HO* G 17 4.235 17.305 -5.462
179 H1* G 17 H1* G 17 4.783 19.722 -3.370
180 H8 G 17 H8 G 17 6.067 19.197 -1.151
181 H1 G 17 H1 G 17 0.659 17.638 1.924
182 1H2 G 17 1H2 G 17 -1.024 17.489 0.517
183 2H2 G 17 2H2 G 17 -0.826 17.873 -1.184
184 1H5* G 18 1H5* G 18 3.993 15.184 -4.408
185 2H5* G 18 2H5* G 18 3.437 13.512 -4.557
186 H4* G 18 H4* G 18 4.662 14.330 -2.367
187 H3* G 18 H3* G 18 2.144 12.655 -2.327
188 H2* G 18 H2* G 18 2.373 12.611 0.073
189 2HO* G 18 2HO* G 18 4.811 12.544 -0.277
190 H1* G 18 H1* G 18 2.940 15.283 0.326
191 H8 G 18 H8 G 18 0.320 14.754 -2.399
192 H1 G 18 H1 G 18 -2.025 14.130 3.556
193 1H2 G 18 1H2 G 18 -0.318 13.958 5.020
194 2H2 G 18 2H2 G 18 1.350 14.135 4.502
195 1H5* U 19 1H5* U 19 4.896 10.820 0.506
196 2H5* U 19 2H5* U 19 4.713 9.065 0.476
197 H4* U 19 H4* U 19 4.302 10.170 2.701
198 H3* U 19 H3* U 19 2.028 8.525 1.528
199 H2* U 19 H2* U 19 0.966 8.850 3.675
200 2HO* U 19 2HO* U 19 3.025 8.663 4.811
201 H1* U 19 H1* U 19 1.463 11.519 3.773
202 H3 U 19 H3 U 19 -3.010 11.090 2.717
203 H5 U 19 H5 U 19 -0.944 10.924 -0.948
204 H6 U 19 H6 U 19 1.099 10.754 0.252
205 1H5* A 20 1H5* A 20 3.239 6.620 5.271
206 2H5* A 20 2H5* A 20 2.907 4.879 5.238
207 H4* A 20 H4* A 20 1.679 6.127 7.002
208 H3* A 20 H3* A 20 -0.121 4.771 4.926
209 H2* A 20 H2* A 20 -1.908 5.452 6.306
210 2HO* A 20 2HO* A 20 -0.379 5.248 8.269
211 H1* A 20 H1* A 20 -1.191 7.892 6.568
212 H8 A 20 H8 A 20 0.135 6.997 3.058
213 1H6 A 20 1H6 A 20 -5.390 8.589 0.905
214 2H6 A 20 2H6 A 20 -3.738 8.143 0.565
215 H2 A 20 H2 A 20 -5.691 8.351 5.425
216 1H5* C 21 1H5* C 21 -1.863 4.102 8.370
217 2H5* C 21 2H5* C 21 -2.301 2.489 8.659
218 H4* C 21 H4* C 21 -4.235 3.953 8.824
219 H3* C 21 H3* C 21 -4.425 2.170 6.350
220 H2* C 21 H2* C 21 -6.601 3.130 6.067
221 2HO* C 21 2HO* C 21 -6.894 3.167 8.457
222 H1* C 21 H1* C 21 -5.725 5.701 6.451
223 1H4 C 21 1H4 C 21 -5.393 5.244 0.231
224 2H4 C 21 2H4 C 21 -3.708 4.751 0.284
225 H5 C 21 H5 C 21 -2.589 4.166 2.484
226 H6 C 21 H6 C 21 -2.911 4.084 4.857
227 1H5* C 22 1H5* C 22 -8.042 1.457 8.591
228 2H5* C 22 2H5* C 22 -8.589 -0.221 8.388
229 H4* C 22 H4* C 22 -10.187 1.537 7.506
230 H3* C 22 H3* C 22 -9.050 -0.474 5.530
231 H2* C 22 H2* C 22 -10.487 0.513 3.900
232 2HO* C 22 2HO* C 22 -12.129 0.774 5.720
233 H1* C 22 H1* C 22 -10.007 3.119 4.683
234 1H4 C 22 1H4 C 22 -6.459 2.330 -0.452
235 2H4 C 22 2H4 C 22 -5.112 1.681 0.458
236 H5 C 22 H5 C 22 -5.276 1.333 2.978
237 H6 C 22 H6 C 22 -6.765 1.417 4.850
238 1H5* U 23 1H5* U 23 -13.154 -0.580 4.557
239 2H5* U 23 2H5* U 23 -13.629 -2.250 4.210
240 H4* U 23 H4* U 23 -13.930 -0.698 2.283
241 H3* U 23 H3* U 23 -11.918 -2.937 1.910
242 H2* U 23 H2* U 23 -11.814 -2.232 -0.409
243 2HO* U 23 2HO* U 23 -14.150 -1.809 -0.431
244 H1* U 23 H1* U 23 -11.760 0.442 0.179
245 H3 U 23 H3 U 23 -7.595 -0.306 -1.396
246 H5 U 23 H5 U 23 -7.509 -1.880 2.513
247 H6 U 23 H6 U 23 -9.882 -1.511 2.660
248 1H5* U 24 1H5* U 24 -15.010 -3.069 -1.377
249 2H5* U 24 2H5* U 24 -15.173 -4.744 -1.926
250 H4* U 24 H4* U 24 -14.514 -3.094 -3.732
251 H3* U 24 H3* U 24 -12.572 -5.334 -3.107
252 H2* U 24 H2* U 24 -11.400 -4.618 -5.087
253 2HO* U 24 2HO* U 24 -12.215 -3.138 -6.500
254 H1* U 24 H1* U 24 -11.613 -1.930 -4.440
255 H3 U 24 H3 U 24 -7.198 -2.846 -4.038
256 H5 U 24 H5 U 24 -8.890 -4.521 -0.587
257 H6 U 24 H6 U 24 -11.102 -4.116 -1.512
258 1H5* U 25 1H5* U 25 -13.390 -5.499 -7.301
259 2H5* U 25 2H5* U 25 -13.393 -7.173 -7.877
260 H4* U 25 H4* U 25 -11.746 -5.752 -9.074
261 H3* U 25 H3* U 25 -10.517 -7.957 -7.374
262 H2* U 25 H2* U 25 -8.477 -7.413 -8.428
263 2HO* U 25 2HO* U 25 -8.309 -6.122 -10.180
264 H1* U 25 H1* U 25 -8.821 -4.694 -8.128
265 H3 U 25 H3 U 25 -5.507 -5.826 -5.210
266 H5 U 25 H5 U 25 -9.043 -6.849 -3.219
267 H6 U 25 H6 U 25 -10.271 -6.458 -5.264
268 1H5* G 26 1H5* G 26 -9.279 -8.725 -11.308
269 2H5* G 26 2H5* G 26 -9.121 -10.463 -11.636
270 H4* G 26 H4* G 26 -6.978 -9.191 -11.878
271 H3* G 26 H3* G 26 -7.084 -11.268 -9.668
272 H2* G 26 H2* G 26 -4.720 -10.833 -9.359
273 2HO* G 26 2HO* G 26 -4.501 -10.564 -11.749
274 H1* G 26 H1* G 26 -5.025 -8.095 -9.454
275 H8 G 26 H8 G 26 -8.020 -9.323 -7.511
276 H1 G 26 H1 G 26 -2.514 -9.419 -4.182
277 1H2 G 26 1H2 G 26 -0.750 -9.325 -5.649
278 2H2 G 26 2H2 G 26 -1.036 -9.105 -7.369
279 1H5* U 27 1H5* U 27 -3.565 -12.228 -12.179
280 2H5* U 27 2H5* U 27 -3.342 -13.986 -12.215
281 H4* U 27 H4* U 27 -1.364 -12.688 -11.373
282 H3* U 27 H3* U 27 -2.607 -14.626 -9.384
283 H2* U 27 H2* U 27 -0.673 -14.165 -8.057
284 2HO* U 27 2HO* U 27 0.760 -14.035 -9.916
285 H1* U 27 H1* U 27 -0.859 -11.464 -8.376
286 H3 U 27 H3 U 27 -2.105 -12.535 -4.088
287 H5 U 27 H5 U 27 -5.578 -13.053 -6.407
288 H6 U 27 H6 U 27 -4.248 -12.783 -8.388
289 1H5* G 28 1H5* G 28 1.656 -15.837 -10.008
290 2H5* G 28 2H5* G 28 1.907 -17.509 -9.482
291 H4* G 28 H4* G 28 3.153 -15.611 -8.258
292 H3* G 28 H3* G 28 1.669 -17.668 -6.646
293 H2* G 28 H2* G 28 2.535 -16.490 -4.693
294 2HO* G 28 2HO* G 28 4.542 -16.024 -6.073
295 H1* G 28 H1* G 28 1.820 -14.014 -5.574
296 H8 G 28 H8 G 28 -1.018 -15.962 -6.965
297 H1 G 28 H1 G 28 -1.378 -15.339 -0.587
298 1H2 G 28 1H2 G 28 0.681 -14.860 0.260
299 2H2 G 28 2H2 G 28 2.037 -14.557 -0.815
300 1H5* U 29 1H5* U 29 5.347 -17.357 -4.791
301 2H5* U 29 2H5* U 29 6.053 -18.931 -4.393
302 H4* U 29 H4* U 29 5.709 -17.547 -2.394
303 H3* U 29 H3* U 29 3.951 -20.026 -2.532
304 H2* U 29 H2* U 29 3.264 -19.525 -0.319
305 2HO* U 29 2HO* U 29 5.528 -18.714 0.121
306 H1* U 29 H1* U 29 2.823 -16.879 -0.804
307 H3 U 29 H3 U 29 -1.404 -18.758 -0.692
308 H5 U 29 H5 U 29 -0.093 -18.961 -4.680
309 H6 U 29 H6 U 29 2.071 -18.387 -3.974
310 1H5* C 30 1H5* C 30 6.194 -20.297 0.964
311 2H5* C 30 2H5* C 30 6.688 -21.961 1.315
312 H4* C 30 H4* C 30 5.323 -20.960 3.111
313 H3* C 30 H3* C 30 3.997 -23.245 1.593
314 H2* C 30 H2* C 30 2.270 -23.176 3.249
315 2HO* C 30 2HO* C 30 4.165 -22.668 4.843
316 H1* C 30 H1* C 30 2.277 -20.381 3.431
317 1H4 C 30 1H4 C 30 -2.777 -21.642 -0.122
318 2H4 C 30 2H4 C 30 -1.834 -21.764 -1.596
319 H5 C 30 H5 C 30 0.715 -21.851 -1.499
320 H6 C 30 H6 C 30 2.600 -21.622 -0.025
321 H3T C 30 HE C 30 4.881 -24.480 3.182
Start of MODEL 7
1 1H5* G 1 1H5* G 1 -11.225 -21.492 7.758
2 2H5* G 1 2H5* G 1 -10.471 -22.495 6.507
3 H4* G 1 H4* G 1 -9.302 -22.223 9.149
4 H3* G 1 H3* G 1 -8.814 -20.587 6.670
5 H2* G 1 H2* G 1 -6.511 -20.392 7.384
6 2HO* G 1 2HO* G 1 -7.336 -20.328 9.697
7 H1* G 1 H1* G 1 -6.239 -23.020 8.003
8 H8 G 1 H8 G 1 -8.509 -22.949 4.969
9 H1 G 1 H1 G 1 -2.352 -21.758 3.558
10 1H2 G 1 1H2 G 1 -1.201 -21.370 5.493
11 2H2 G 1 2H2 G 1 -1.993 -21.497 7.058
12 1H5* G 2 1H5* G 2 -6.743 -18.545 9.776
13 2H5* G 2 2H5* G 2 -6.896 -16.797 9.563
14 H4* G 2 H4* G 2 -4.508 -17.625 9.548
15 H3* G 2 H3* G 2 -5.490 -16.318 6.993
16 H2* G 2 H2* G 2 -3.187 -16.334 6.406
17 2HO* G 2 2HO* G 2 -2.560 -15.809 8.659
18 H1* G 2 H1* G 2 -2.744 -18.907 7.337
19 H8 G 2 H8 G 2 -6.028 -18.989 5.504
20 H1 G 2 H1 G 2 -0.961 -18.179 1.582
21 1H2 G 2 1H2 G 2 0.879 -17.866 2.798
22 2H2 G 2 2H2 G 2 0.834 -17.855 4.557
23 1H5* C 3 1H5* C 3 -2.307 -14.067 8.750
24 2H5* C 3 2H5* C 3 -2.244 -12.370 8.261
25 H4* C 3 H4* C 3 -0.320 -13.972 7.618
26 H3* C 3 H3* C 3 -1.654 -12.202 5.511
27 H2* C 3 H2* C 3 0.036 -12.925 3.992
28 2HO* C 3 2HO* C 3 1.642 -12.846 5.788
29 H1* C 3 H1* C 3 -0.126 -15.560 4.732
30 1H4 C 3 1H4 C 3 -4.071 -15.439 -0.201
31 2H4 C 3 2H4 C 3 -5.416 -15.042 0.842
32 H5 C 3 H5 C 3 -5.108 -14.510 3.263
33 H6 C 3 H6 C 3 -3.500 -14.300 5.007
34 1H5* A 4 1H5* A 4 2.427 -10.902 5.484
35 2H5* A 4 2H5* A 4 2.530 -9.174 5.091
36 H4* A 4 H4* A 4 3.626 -10.725 3.431
37 H3* A 4 H3* A 4 1.346 -8.981 2.436
38 H2* A 4 H2* A 4 1.861 -9.792 0.248
39 2HO* A 4 2HO* A 4 4.195 -9.704 0.736
40 H1* A 4 H1* A 4 2.145 -12.412 1.037
41 H8 A 4 H8 A 4 -0.780 -11.022 2.999
42 1H6 A 4 1H6 A 4 -4.175 -12.655 -1.934
43 2H6 A 4 2H6 A 4 -4.198 -12.165 -0.245
44 H2 A 4 H2 A 4 0.132 -12.690 -3.147
45 1H5* C 5 1H5* C 5 4.831 -7.788 -0.039
46 2H5* C 5 2H5* C 5 4.618 -6.109 -0.579
47 H4* C 5 H4* C 5 4.633 -7.866 -2.416
48 H3* C 5 H3* C 5 2.137 -6.160 -2.125
49 H2* C 5 H2* C 5 1.370 -7.264 -4.127
50 2HO* C 5 2HO* C 5 3.692 -7.225 -4.903
51 H1* C 5 H1* C 5 2.162 -9.778 -3.322
52 1H4 C 5 1H4 C 5 -4.058 -9.247 -2.057
53 2H4 C 5 2H4 C 5 -3.739 -8.416 -0.552
54 H5 C 5 H5 C 5 -1.411 -7.843 0.193
55 H6 C 5 H6 C 5 0.892 -7.841 -0.475
56 1H5* U 6 1H5* U 6 2.963 -5.898 -6.251
57 2H5* U 6 2H5* U 6 2.605 -4.309 -6.928
58 H4* U 6 H4* U 6 1.291 -6.232 -7.906
59 H3* U 6 H3* U 6 -0.245 -3.963 -6.629
60 H2* U 6 H2* U 6 -2.280 -5.074 -7.198
61 2HO* U 6 2HO* U 6 -1.200 -5.731 -9.272
62 H1* U 6 H1* U 6 -1.471 -7.583 -6.500
63 H3 U 6 H3 U 6 -4.638 -6.230 -3.472
64 H5 U 6 H5 U 6 -0.914 -5.121 -1.858
65 H6 U 6 H6 U 6 0.083 -5.543 -3.979
66 1H5* C 7 1H5* C 7 -1.022 -3.322 -10.988
67 2H5* C 7 2H5* C 7 -1.181 -1.611 -11.433
68 H4* C 7 H4* C 7 -3.412 -2.783 -11.013
69 H3* C 7 H3* C 7 -2.631 -0.527 -9.138
70 H2* C 7 H2* C 7 -4.785 -0.751 -8.196
71 2HO* C 7 2HO* C 7 -5.980 -0.784 -10.109
72 H1* C 7 H1* C 7 -4.909 -3.562 -8.681
73 1H4 C 7 1H4 C 7 -4.605 -2.904 -2.407
74 2H4 C 7 2H4 C 7 -2.866 -2.670 -2.393
75 H5 C 7 H5 C 7 -1.567 -2.533 -4.619
76 H6 C 7 H6 C 7 -1.857 -2.485 -6.999
77 1H5* U 8 1H5* U 8 -6.516 0.159 -11.786
78 2H5* U 8 2H5* U 8 -6.641 1.917 -11.990
79 H4* U 8 H4* U 8 -8.794 0.855 -11.296
80 H3* U 8 H3* U 8 -7.535 2.812 -9.348
81 H2* U 8 H2* U 8 -9.578 2.609 -8.086
82 2HO* U 8 2HO* U 8 -10.817 2.554 -10.132
83 H1* U 8 H1* U 8 -9.768 -0.128 -8.378
84 H3 U 8 H3 U 8 -8.871 0.413 -3.941
85 H5 U 8 H5 U 8 -5.141 0.811 -5.862
86 H6 U 8 H6 U 8 -6.285 0.905 -7.978
87 1H5* G 9 1H5* G 9 -11.632 4.376 -10.117
88 2H5* G 9 2H5* G 9 -11.606 6.134 -9.886
89 H4* G 9 H4* G 9 -13.118 4.871 -8.303
90 H3* G 9 H3* G 9 -10.855 6.488 -7.101
91 H2* G 9 H2* G 9 -11.775 5.890 -4.936
92 2HO* G 9 2HO* G 9 -13.991 6.040 -5.917
93 H1* G 9 H1* G 9 -12.106 3.251 -5.536
94 H8 G 9 H8 G 9 -8.865 4.504 -7.181
95 H1 G 9 H1 G 9 -8.337 3.106 -0.932
96 1H2 G 9 1H2 G 9 -10.405 3.005 -0.006
97 2H2 G 9 2H2 G 9 -11.836 3.023 -1.027
98 1H5* G 10 1H5* G 10 -14.622 7.556 -4.984
99 2H5* G 10 2H5* G 10 -14.538 9.231 -4.421
100 H4* G 10 H4* G 10 -14.867 7.438 -2.633
101 H3* G 10 H3* G 10 -12.541 9.360 -2.430
102 H2* G 10 H2* G 10 -12.054 8.338 -0.288
103 2HO* G 10 2HO* G 10 -14.437 8.152 0.089
104 H1* G 10 H1* G 10 -12.400 5.768 -1.144
105 H8 G 10 H8 G 10 -10.626 7.497 -4.002
106 H1 G 10 H1 G 10 -6.806 6.051 0.963
107 1H2 G 10 1H2 G 10 -8.082 5.719 2.821
108 2H2 G 10 2H2 G 10 -9.835 5.640 2.698
109 1H5* U 11 1H5* U 11 -14.674 9.398 1.501
110 2H5* U 11 2H5* U 11 -14.566 11.025 2.196
111 H4* U 11 H4* U 11 -13.505 9.193 3.620
112 H3* U 11 H3* U 11 -11.708 11.440 2.713
113 H2* U 11 H2* U 11 -10.092 10.399 4.169
114 2HO* U 11 2HO* U 11 -11.701 9.870 5.782
115 H1* U 11 H1* U 11 -10.547 7.868 3.289
116 H3 U 11 H3 U 11 -6.472 9.295 1.788
117 H5 U 11 H5 U 11 -9.268 10.721 -1.034
118 H6 U 11 H6 U 11 -11.016 10.115 0.462
119 1H5* A 12 1H5* A 12 -13.000 12.287 7.049
120 2H5* A 12 2H5* A 12 -12.487 13.876 7.633
121 H4* A 12 H4* A 12 -11.005 11.877 8.243
122 H3* A 12 H3* A 12 -9.808 14.264 6.857
123 H2* A 12 H2* A 12 -7.687 13.211 7.200
124 2HO* A 12 2HO* A 12 -8.106 12.513 9.347
125 H1* A 12 H1* A 12 -8.571 10.665 6.469
126 H8 A 12 H8 A 12 -10.157 13.183 4.219
127 1H6 A 12 1H6 A 12 -5.106 12.828 0.698
128 2H6 A 12 2H6 A 12 -6.785 13.331 0.821
129 H2 A 12 H2 A 12 -4.062 11.198 4.760
130 1H5* U 13 1H5* U 13 -6.614 15.340 11.339
131 2H5* U 13 2H5* U 13 -6.658 16.093 9.747
132 H4* U 13 H4* U 13 -5.046 13.705 10.667
133 H3* U 13 H3* U 13 -4.685 16.266 9.090
134 H2* U 13 H2* U 13 -2.879 15.376 7.882
135 2HO* U 13 2HO* U 13 -1.932 13.403 8.400
136 H1* U 13 H1* U 13 -4.108 12.997 7.327
137 H3 U 13 H3 U 13 -4.553 15.173 3.358
138 H5 U 13 H5 U 13 -7.919 16.176 5.691
139 H6 U 13 H6 U 13 -6.726 15.418 7.624
140 1H5* C 14 1H5* C 14 -1.004 15.835 9.958
141 2H5* C 14 2H5* C 14 -0.263 17.289 10.657
142 H4* C 14 H4* C 14 0.905 16.774 8.626
143 H3* C 14 H3* C 14 -1.031 19.055 8.130
144 H2* C 14 H2* C 14 0.120 19.237 5.954
145 2HO* C 14 2HO* C 14 2.133 18.492 7.212
146 H1* C 14 H1* C 14 -0.104 16.579 5.482
147 1H4 C 14 1H4 C 14 -5.508 19.030 3.131
148 2H4 C 14 2H4 C 14 -6.263 19.043 4.710
149 H5 C 14 H5 C 14 -5.012 18.390 6.772
150 H6 C 14 H6 C 14 -2.887 17.686 7.606
151 1H5* A 15 1H5* A 15 0.405 22.350 6.902
152 2H5* A 15 2H5* A 15 1.384 20.910 6.520
153 H4* A 15 H4* A 15 2.047 23.838 6.362
154 H3* A 15 H3* A 15 1.199 22.132 4.443
155 H2* A 15 H2* A 15 2.712 20.384 4.791
156 2HO* A 15 2HO* A 15 3.567 22.231 2.902
157 H1* A 15 H1* A 15 5.013 22.316 5.015
158 H8 A 15 H8 A 15 3.934 18.798 5.485
159 1H6 A 15 1H6 A 15 9.045 18.007 8.873
160 2H6 A 15 2H6 A 15 7.711 17.222 8.033
161 H2 A 15 H2 A 15 8.437 22.400 8.346
162 1H5* C 16 1H5* C 16 1.460 21.922 1.468
163 2H5* C 16 2H5* C 16 1.519 23.401 0.574
164 H4* C 16 H4* C 16 0.128 21.850 -0.511
165 H3* C 16 H3* C 16 -0.881 24.364 -0.295
166 H2* C 16 H2* C 16 -1.765 24.079 1.975
167 2HO* C 16 2HO* C 16 -3.667 23.754 -0.056
168 H1* C 16 H1* C 16 -3.151 21.558 1.034
169 1H4 C 16 1H4 C 16 -3.947 21.587 7.451
170 2H4 C 16 2H4 C 16 -2.224 21.343 7.685
171 H5 C 16 H5 C 16 -0.683 21.152 5.747
172 H6 C 16 H6 C 16 -0.459 21.349 3.390
173 1H5* G 17 1H5* G 17 0.978 23.410 -2.850
174 2H5* G 17 2H5* G 17 0.569 22.557 -4.308
175 H4* G 17 H4* G 17 2.741 22.035 -3.752
176 H3* G 17 H3* G 17 1.109 19.723 -2.644
177 H2* G 17 H2* G 17 3.279 18.776 -2.283
178 2HO* G 17 2HO* G 17 3.775 19.674 -4.575
179 H1* G 17 H1* G 17 4.505 21.336 -1.906
180 H8 G 17 H8 G 17 5.779 20.280 -0.032
181 H1 G 17 H1 G 17 0.517 18.062 2.845
182 1H2 G 17 1H2 G 17 -1.231 18.219 1.492
183 2H2 G 17 2H2 G 17 -1.097 19.035 -0.059
184 1H5* G 18 1H5* G 18 3.174 17.599 -4.129
185 2H5* G 18 2H5* G 18 2.513 16.174 -4.824
186 H4* G 18 H4* G 18 3.814 16.193 -2.478
187 H3* G 18 H3* G 18 1.360 14.483 -2.905
188 H2* G 18 H2* G 18 1.705 13.745 -0.625
189 2HO* G 18 2HO* G 18 4.113 13.883 -1.022
190 H1* G 18 H1* G 18 2.200 16.234 0.398
191 H8 G 18 H8 G 18 -0.549 16.381 -2.264
192 H1 G 18 H1 G 18 -2.537 14.576 3.596
193 1H2 G 18 1H2 G 18 -0.755 14.064 4.863
194 2H2 G 18 2H2 G 18 0.884 14.308 4.277
195 1H5* U 19 1H5* U 19 4.521 12.129 -0.767
196 2H5* U 19 2H5* U 19 4.313 10.408 -1.076
197 H4* U 19 H4* U 19 4.126 11.261 1.345
198 H3* U 19 H3* U 19 1.955 9.467 0.211
199 H2* U 19 H2* U 19 1.055 9.479 2.456
200 2HO* U 19 2HO* U 19 3.188 9.417 3.428
201 H1* U 19 H1* U 19 1.269 12.154 2.820
202 H3 U 19 H3 U 19 -3.228 11.686 2.069
203 H5 U 19 H5 U 19 -1.454 11.835 -1.743
204 H6 U 19 H6 U 19 0.674 11.578 -0.724
205 1H5* A 20 1H5* A 20 3.790 7.441 3.661
206 2H5* A 20 2H5* A 20 3.618 5.678 3.567
207 H4* A 20 H4* A 20 2.439 6.744 5.495
208 H3* A 20 H3* A 20 0.627 5.261 3.522
209 H2* A 20 H2* A 20 -1.116 5.753 5.028
210 2HO* A 20 2HO* A 20 0.545 5.653 6.884
211 H1* A 20 H1* A 20 -0.624 8.249 5.332
212 H8 A 20 H8 A 20 0.467 7.510 1.701
213 1H6 A 20 1H6 A 20 -5.213 9.090 0.053
214 2H6 A 20 2H6 A 20 -3.602 8.622 -0.436
215 H2 A 20 H2 A 20 -5.181 8.628 4.560
216 1H5* C 21 1H5* C 21 -0.792 4.400 7.201
217 2H5* C 21 2H5* C 21 -1.202 2.765 7.420
218 H4* C 21 H4* C 21 -3.119 4.230 7.795
219 H3* C 21 H3* C 21 -3.463 2.454 5.340
220 H2* C 21 H2* C 21 -5.670 3.381 5.206
221 2HO* C 21 2HO* C 21 -5.760 3.423 7.628
222 H1* C 21 H1* C 21 -4.854 5.961 5.526
223 1H4 C 21 1H4 C 21 -4.835 5.612 -0.718
224 2H4 C 21 2H4 C 21 -3.150 5.128 -0.746
225 H5 C 21 H5 C 21 -1.922 4.507 1.368
226 H6 C 21 H6 C 21 -2.104 4.387 3.742
227 1H5* C 22 1H5* C 22 -6.924 1.855 7.823
228 2H5* C 22 2H5* C 22 -7.531 0.191 7.700
229 H4* C 22 H4* C 22 -9.143 1.977 6.895
230 H3* C 22 H3* C 22 -8.204 -0.141 4.935
231 H2* C 22 H2* C 22 -9.692 0.826 3.343
232 2HO* C 22 2HO* C 22 -11.225 1.216 5.234
233 H1* C 22 H1* C 22 -9.114 3.447 3.975
234 1H4 C 22 1H4 C 22 -5.813 2.506 -1.277
235 2H4 C 22 2H4 C 22 -4.431 1.872 -0.409
236 H5 C 22 H5 C 22 -4.499 1.565 2.115
237 H6 C 22 H6 C 22 -5.910 1.677 4.039
238 1H5* U 23 1H5* U 23 -12.374 -0.121 4.218
239 2H5* U 23 2H5* U 23 -12.925 -1.781 3.940
240 H4* U 23 H4* U 23 -13.262 -0.278 1.979
241 H3* U 23 H3* U 23 -11.330 -2.582 1.591
242 H2* U 23 H2* U 23 -11.304 -1.939 -0.754
243 2HO* U 23 2HO* U 23 -13.592 -1.442 -0.767
244 H1* U 23 H1* U 23 -11.118 0.737 -0.240
245 H3 U 23 H3 U 23 -7.049 -0.244 -1.945
246 H5 U 23 H5 U 23 -6.875 -1.665 2.020
247 H6 U 23 H6 U 23 -9.228 -1.212 2.233
248 1H5* U 24 1H5* U 24 -14.628 -2.634 -1.468
249 2H5* U 24 2H5* U 24 -14.909 -4.296 -2.008
250 H4* U 24 H4* U 24 -14.307 -2.663 -3.848
251 H3* U 24 H3* U 24 -12.487 -5.045 -3.377
252 H2* U 24 H2* U 24 -11.385 -4.377 -5.435
253 2HO* U 24 2HO* U 24 -13.586 -3.742 -6.275
254 H1* U 24 H1* U 24 -11.352 -1.694 -4.779
255 H3 U 24 H3 U 24 -6.986 -2.854 -4.490
256 H5 U 24 H5 U 24 -8.673 -4.393 -0.971
257 H6 U 24 H6 U 24 -10.873 -3.911 -1.856
258 1H5* U 25 1H5* U 25 -13.480 -5.255 -7.532
259 2H5* U 25 2H5* U 25 -13.707 -6.951 -7.987
260 H4* U 25 H4* U 25 -11.935 -5.861 -9.310
261 H3* U 25 H3* U 25 -10.927 -8.032 -7.421
262 H2* U 25 H2* U 25 -8.850 -7.801 -8.553
263 2HO* U 25 2HO* U 25 -10.050 -7.503 -10.625
264 H1* U 25 H1* U 25 -8.913 -5.043 -8.570
265 H3 U 25 H3 U 25 -5.607 -6.212 -5.635
266 H5 U 25 H5 U 25 -9.150 -6.660 -3.443
267 H6 U 25 H6 U 25 -10.412 -6.330 -5.481
268 1H5* G 26 1H5* G 26 -9.848 -9.438 -11.305
269 2H5* G 26 2H5* G 26 -9.864 -11.213 -11.343
270 H4* G 26 H4* G 26 -7.609 -10.168 -11.751
271 H3* G 26 H3* G 26 -7.894 -11.930 -9.295
272 H2* G 26 H2* G 26 -5.489 -11.689 -9.066
273 2HO* G 26 2HO* G 26 -5.253 -11.763 -11.448
274 H1* G 26 H1* G 26 -5.529 -8.976 -9.525
275 H8 G 26 H8 G 26 -8.563 -9.640 -7.364
276 H1 G 26 H1 G 26 -2.957 -9.900 -4.202
277 1H2 G 26 1H2 G 26 -1.243 -10.049 -5.725
278 2H2 G 26 2H2 G 26 -1.585 -9.974 -7.446
279 1H5* U 27 1H5* U 27 -4.554 -13.422 -11.865
280 2H5* U 27 2H5* U 27 -4.402 -15.178 -11.691
281 H4* U 27 H4* U 27 -2.322 -13.842 -11.161
282 H3* U 27 H3* U 27 -3.456 -15.567 -8.929
283 H2* U 27 H2* U 27 -1.430 -15.047 -7.776
284 2HO* U 27 2HO* U 27 -0.122 -15.115 -9.733
285 H1* U 27 H1* U 27 -1.560 -12.379 -8.315
286 H3 U 27 H3 U 27 -2.542 -13.083 -3.867
287 H5 U 27 H5 U 27 -6.187 -13.545 -5.920
288 H6 U 27 H6 U 27 -4.974 -13.533 -7.990
289 1H5* G 28 1H5* G 28 0.731 -16.884 -9.764
290 2H5* G 28 2H5* G 28 1.007 -18.527 -9.161
291 H4* G 28 H4* G 28 2.374 -16.600 -8.133
292 H3* G 28 H3* G 28 0.914 -18.475 -6.303
293 H2* G 28 H2* G 28 1.964 -17.226 -4.498
294 2HO* G 28 2HO* G 28 3.470 -15.643 -4.865
295 H1* G 28 H1* G 28 1.244 -14.792 -5.494
296 H8 G 28 H8 G 28 -1.722 -16.759 -6.537
297 H1 G 28 H1 G 28 -1.585 -15.688 -0.208
298 1H2 G 28 1H2 G 28 0.535 -15.183 0.446
299 2H2 G 28 2H2 G 28 1.813 -14.989 -0.741
300 1H5* U 29 1H5* U 29 4.721 -18.188 -4.848
301 2H5* U 29 2H5* U 29 5.464 -19.727 -4.380
302 H4* U 29 H4* U 29 5.355 -18.170 -2.485
303 H3* U 29 H3* U 29 3.568 -20.614 -2.229
304 H2* U 29 H2* U 29 3.085 -19.913 -0.014
305 2HO* U 29 2HO* U 29 5.395 -19.091 0.122
306 H1* U 29 H1* U 29 2.623 -17.311 -0.677
307 H3 U 29 H3 U 29 -1.589 -19.131 -0.029
308 H5 U 29 H5 U 29 -0.657 -19.619 -4.099
309 H6 U 29 H6 U 29 1.563 -19.040 -3.633
310 1H5* C 30 1H5* C 30 6.078 -20.604 1.090
311 2H5* C 30 2H5* C 30 6.595 -22.240 1.532
312 H4* C 30 H4* C 30 5.382 -21.087 3.347
313 H3* C 30 H3* C 30 3.936 -23.475 2.129
314 H2* C 30 H2* C 30 2.344 -23.261 3.906
315 2HO* C 30 2HO* C 30 4.358 -22.639 5.300
316 H1* C 30 H1* C 30 2.366 -20.461 3.858
317 1H4 C 30 1H4 C 30 -2.946 -21.953 0.795
318 2H4 C 30 2H4 C 30 -2.108 -22.214 -0.723
319 H5 C 30 H5 C 30 0.428 -22.317 -0.803
320 H6 C 30 H6 C 30 2.426 -21.983 0.500
321 H3T C 30 HE C 30 4.944 -24.588 3.729
Start of MODEL 8
1 1H5* G 1 1H5* G 1 -11.807 -20.397 7.938
2 2H5* G 1 2H5* G 1 -11.312 -21.460 6.607
3 H4* G 1 H4* G 1 -9.912 -21.425 9.149
4 H3* G 1 H3* G 1 -9.355 -19.880 6.622
5 H2* G 1 H2* G 1 -7.011 -20.042 7.184
6 2HO* G 1 2HO* G 1 -7.639 -19.813 9.533
7 H1* G 1 H1* G 1 -7.127 -22.678 7.868
8 H8 G 1 H8 G 1 -9.439 -22.275 4.886
9 H1 G 1 H1 G 1 -3.206 -22.134 3.320
10 1H2 G 1 1H2 G 1 -1.962 -21.935 5.223
11 2H2 G 1 2H2 G 1 -2.724 -21.907 6.809
12 1H5* G 2 1H5* G 2 -6.820 -18.150 9.651
13 2H5* G 2 2H5* G 2 -6.683 -16.405 9.393
14 H4* G 2 H4* G 2 -4.460 -17.648 9.305
15 H3* G 2 H3* G 2 -5.324 -16.191 6.798
16 H2* G 2 H2* G 2 -3.080 -16.642 6.099
17 2HO* G 2 2HO* G 2 -2.270 -16.246 8.325
18 H1* G 2 H1* G 2 -3.072 -19.246 7.043
19 H8 G 2 H8 G 2 -6.387 -18.713 5.324
20 H1 G 2 H1 G 2 -1.392 -18.946 1.245
21 1H2 G 2 1H2 G 2 0.512 -18.881 2.394
22 2H2 G 2 2H2 G 2 0.529 -18.850 4.154
23 1H5* C 3 1H5* C 3 -1.684 -14.628 8.430
24 2H5* C 3 2H5* C 3 -1.316 -12.959 8.004
25 H4* C 3 H4* C 3 0.269 -14.829 7.219
26 H3* C 3 H3* C 3 -0.904 -12.855 5.198
27 H2* C 3 H2* C 3 0.448 -13.876 3.516
28 2HO* C 3 2HO* C 3 2.228 -14.043 5.136
29 H1* C 3 H1* C 3 -0.002 -16.449 4.352
30 1H4 C 3 1H4 C 3 -4.092 -15.684 -0.408
31 2H4 C 3 2H4 C 3 -5.321 -15.082 0.681
32 H5 C 3 H5 C 3 -4.820 -14.582 3.098
33 H6 C 3 H6 C 3 -3.105 -14.632 4.769
34 1H5* A 4 1H5* A 4 1.248 -8.831 4.321
35 2H5* A 4 2H5* A 4 0.161 -9.509 3.113
36 H4* A 4 H4* A 4 2.912 -10.480 3.940
37 H3* A 4 H3* A 4 1.600 -9.365 1.498
38 H2* A 4 H2* A 4 2.384 -10.947 -0.025
39 2HO* A 4 2HO* A 4 4.490 -10.813 1.334
40 H1* A 4 H1* A 4 2.089 -13.185 1.467
41 H8 A 4 H8 A 4 -0.865 -11.727 2.924
42 1H6 A 4 1H6 A 4 -3.952 -13.001 -2.260
43 2H6 A 4 2H6 A 4 -4.029 -12.574 -0.558
44 H2 A 4 H2 A 4 0.450 -13.180 -3.205
45 1H5* C 5 1H5* C 5 5.222 -8.388 -0.145
46 2H5* C 5 2H5* C 5 5.151 -6.716 -0.733
47 H4* C 5 H4* C 5 5.026 -8.445 -2.541
48 H3* C 5 H3* C 5 2.558 -6.710 -2.195
49 H2* C 5 H2* C 5 1.754 -7.786 -4.203
50 2HO* C 5 2HO* C 5 4.070 -7.752 -5.004
51 H1* C 5 H1* C 5 2.541 -10.313 -3.449
52 1H4 C 5 1H4 C 5 -3.655 -9.596 -2.101
53 2H4 C 5 2H4 C 5 -3.296 -8.841 -0.561
54 H5 C 5 H5 C 5 -0.938 -8.372 0.169
55 H6 C 5 H6 C 5 1.362 -8.444 -0.533
56 1H5* U 6 1H5* U 6 3.281 -6.351 -6.284
57 2H5* U 6 2H5* U 6 2.990 -4.722 -6.905
58 H4* U 6 H4* U 6 1.545 -6.517 -7.923
59 H3* U 6 H3* U 6 0.170 -4.263 -6.449
60 H2* U 6 H2* U 6 -1.937 -5.250 -7.005
61 2HO* U 6 2HO* U 6 -1.005 -5.820 -9.158
62 H1* U 6 H1* U 6 -1.209 -7.824 -6.487
63 H3 U 6 H3 U 6 -4.219 -6.518 -3.287
64 H5 U 6 H5 U 6 -0.403 -5.645 -1.736
65 H6 U 6 H6 U 6 0.517 -6.017 -3.903
66 1H5* C 7 1H5* C 7 -0.662 -3.343 -10.774
67 2H5* C 7 2H5* C 7 -0.797 -1.609 -11.126
68 H4* C 7 H4* C 7 -3.039 -2.762 -10.698
69 H3* C 7 H3* C 7 -2.168 -0.598 -8.752
70 H2* C 7 H2* C 7 -4.319 -0.808 -7.793
71 2HO* C 7 2HO* C 7 -5.538 -0.758 -9.697
72 H1* C 7 H1* C 7 -4.499 -3.597 -8.361
73 1H4 C 7 1H4 C 7 -4.078 -3.223 -2.093
74 2H4 C 7 2H4 C 7 -2.325 -3.101 -2.097
75 H5 C 7 H5 C 7 -1.057 -2.902 -4.337
76 H6 C 7 H6 C 7 -1.384 -2.715 -6.705
77 1H5* U 8 1H5* U 8 -6.025 0.223 -11.407
78 2H5* U 8 2H5* U 8 -6.154 1.986 -11.555
79 H4* U 8 H4* U 8 -8.317 0.870 -10.962
80 H3* U 8 H3* U 8 -7.155 2.814 -8.944
81 H2* U 8 H2* U 8 -9.227 2.542 -7.738
82 2HO* U 8 2HO* U 8 -10.389 2.466 -9.846
83 H1* U 8 H1* U 8 -9.335 -0.189 -8.047
84 H3 U 8 H3 U 8 -8.509 0.533 -3.598
85 H5 U 8 H5 U 8 -4.750 0.783 -5.485
86 H6 U 8 H6 U 8 -5.865 0.802 -7.613
87 1H5* G 9 1H5* G 9 -11.297 4.240 -9.765
88 2H5* G 9 2H5* G 9 -11.348 5.994 -9.512
89 H4* G 9 H4* G 9 -12.842 4.640 -7.983
90 H3* G 9 H3* G 9 -10.694 6.354 -6.712
91 H2* G 9 H2* G 9 -11.640 5.697 -4.573
92 2HO* G 9 2HO* G 9 -13.837 5.734 -5.599
93 H1* G 9 H1* G 9 -11.798 3.050 -5.196
94 H8 G 9 H8 G 9 -8.597 4.432 -6.793
95 H1 G 9 H1 G 9 -8.129 3.177 -0.512
96 1H2 G 9 1H2 G 9 -10.210 3.031 0.381
97 2H2 G 9 2H2 G 9 -11.623 2.981 -0.666
98 1H5* G 10 1H5* G 10 -14.549 7.213 -4.669
99 2H5* G 10 2H5* G 10 -14.575 8.897 -4.128
100 H4* G 10 H4* G 10 -14.844 7.133 -2.312
101 H3* G 10 H3* G 10 -12.589 9.141 -2.113
102 H2* G 10 H2* G 10 -12.105 8.179 0.057
103 2HO* G 10 2HO* G 10 -14.502 7.907 0.370
104 H1* G 10 H1* G 10 -12.334 5.580 -0.766
105 H8 G 10 H8 G 10 -10.609 7.364 -3.625
106 H1 G 10 H1 G 10 -6.761 6.129 1.373
107 1H2 G 10 1H2 G 10 -8.027 5.768 3.228
108 2H2 G 10 2H2 G 10 -9.778 5.635 3.108
109 1H5* U 11 1H5* U 11 -14.665 9.179 1.809
110 2H5* U 11 2H5* U 11 -14.647 10.835 2.443
111 H4* U 11 H4* U 11 -13.466 9.147 3.939
112 H3* U 11 H3* U 11 -11.778 11.399 2.857
113 H2* U 11 H2* U 11 -10.122 10.511 4.380
114 2HO* U 11 2HO* U 11 -11.644 10.023 6.057
115 H1* U 11 H1* U 11 -10.494 7.920 3.650
116 H3 U 11 H3 U 11 -6.464 9.353 2.053
117 H5 U 11 H5 U 11 -9.286 10.554 -0.842
118 H6 U 11 H6 U 11 -11.033 9.981 0.695
119 1H5* A 12 1H5* A 12 -12.939 12.435 7.162
120 2H5* A 12 2H5* A 12 -12.447 14.063 7.659
121 H4* A 12 H4* A 12 -10.964 12.108 8.413
122 H3* A 12 H3* A 12 -9.755 14.410 6.896
123 H2* A 12 H2* A 12 -7.630 13.368 7.288
124 2HO* A 12 2HO* A 12 -8.044 12.795 9.468
125 H1* A 12 H1* A 12 -8.529 10.789 6.691
126 H8 A 12 H8 A 12 -10.105 13.203 4.317
127 1H6 A 12 1H6 A 12 -5.002 12.760 0.872
128 2H6 A 12 2H6 A 12 -6.693 13.231 0.945
129 H2 A 12 H2 A 12 -4.006 11.287 5.004
130 1H5* U 13 1H5* U 13 -6.490 15.808 11.189
131 2H5* U 13 2H5* U 13 -6.582 16.438 9.547
132 H4* U 13 H4* U 13 -4.938 14.126 10.596
133 H3* U 13 H3* U 13 -4.603 16.621 8.917
134 H2* U 13 H2* U 13 -2.868 15.697 7.645
135 2HO* U 13 2HO* U 13 -2.158 14.580 9.766
136 H1* U 13 H1* U 13 -4.032 13.250 7.276
137 H3 U 13 H3 U 13 -4.635 15.176 3.203
138 H5 U 13 H5 U 13 -7.961 16.269 5.555
139 H6 U 13 H6 U 13 -6.715 15.628 7.504
140 1H5* C 14 1H5* C 14 -0.928 16.446 9.597
141 2H5* C 14 2H5* C 14 -0.284 17.964 10.255
142 H4* C 14 H4* C 14 0.792 17.612 8.161
143 H3* C 14 H3* C 14 -1.477 19.555 7.697
144 H2* C 14 H2* C 14 -0.385 19.887 5.509
145 2HO* C 14 2HO* C 14 1.497 18.736 4.996
146 H1* C 14 H1* C 14 -0.382 17.193 5.093
147 1H4 C 14 1H4 C 14 -6.099 19.152 3.058
148 2H4 C 14 2H4 C 14 -6.775 19.078 4.671
149 H5 C 14 H5 C 14 -5.359 18.484 6.660
150 H6 C 14 H6 C 14 -3.144 17.981 7.369
151 1H5* A 15 1H5* A 15 -0.530 23.020 6.334
152 2H5* A 15 2H5* A 15 0.639 21.700 6.092
153 H4* A 15 H4* A 15 0.960 24.671 5.784
154 H3* A 15 H3* A 15 0.529 22.742 3.918
155 H2* A 15 H2* A 15 2.208 21.249 4.612
156 2HO* A 15 2HO* A 15 3.681 21.242 2.958
157 H1* A 15 H1* A 15 4.131 23.562 4.749
158 H8 A 15 H8 A 15 3.458 19.991 5.877
159 1H6 A 15 1H6 A 15 8.735 20.407 9.075
160 2H6 A 15 2H6 A 15 7.441 19.347 8.523
161 H2 A 15 H2 A 15 7.765 24.477 7.519
162 1H5* C 16 1H5* C 16 0.725 22.500 1.125
163 2H5* C 16 2H5* C 16 0.872 23.965 0.187
164 H4* C 16 H4* C 16 -0.465 22.466 -1.001
165 H3* C 16 H3* C 16 -1.508 24.955 -0.675
166 H2* C 16 H2* C 16 -2.631 24.539 1.395
167 2HO* C 16 2HO* C 16 -4.241 24.198 -0.858
168 H1* C 16 H1* C 16 -3.781 21.983 0.338
169 1H4 C 16 1H4 C 16 -4.734 21.903 6.748
170 2H4 C 16 2H4 C 16 -3.008 21.764 7.033
171 H5 C 16 H5 C 16 -1.402 21.668 5.132
172 H6 C 16 H6 C 16 -1.126 21.895 2.792
173 1H5* G 17 1H5* G 17 -0.857 21.586 -4.459
174 2H5* G 17 2H5* G 17 -0.880 21.369 -2.711
175 H4* G 17 H4* G 17 1.564 22.093 -4.407
176 H3* G 17 H3* G 17 0.736 19.566 -2.926
177 H2* G 17 H2* G 17 3.008 19.150 -2.530
178 2HO* G 17 2HO* G 17 3.283 19.859 -4.933
179 H1* G 17 H1* G 17 3.770 21.896 -2.454
180 H8 G 17 H8 G 17 5.189 21.048 -0.423
181 H1 G 17 H1 G 17 0.024 18.631 2.508
182 1H2 G 17 1H2 G 17 -1.713 18.639 1.170
183 2H2 G 17 2H2 G 17 -1.618 19.327 -0.442
184 1H5* G 18 1H5* G 18 3.175 17.570 -4.274
185 2H5* G 18 2H5* G 18 2.730 15.906 -4.672
186 H4* G 18 H4* G 18 3.977 16.485 -2.407
187 H3* G 18 H3* G 18 1.634 14.584 -2.594
188 H2* G 18 H2* G 18 1.931 14.192 -0.238
189 2HO* G 18 2HO* G 18 4.352 14.405 -0.603
190 H1* G 18 H1* G 18 2.259 16.819 0.444
191 H8 G 18 H8 G 18 -0.386 16.511 -2.286
192 H1 G 18 H1 G 18 -2.467 14.780 3.549
193 1H2 G 18 1H2 G 18 -0.699 14.494 4.918
194 2H2 G 18 2H2 G 18 0.929 14.888 4.395
195 1H5* U 19 1H5* U 19 4.714 12.651 -0.142
196 2H5* U 19 2H5* U 19 4.680 10.903 -0.377
197 H4* U 19 H4* U 19 4.264 11.743 1.983
198 H3* U 19 H3* U 19 2.178 9.945 0.701
199 H2* U 19 H2* U 19 1.145 9.926 2.884
200 2HO* U 19 2HO* U 19 3.133 9.845 4.052
201 H1* U 19 H1* U 19 1.325 12.607 3.264
202 H3 U 19 H3 U 19 -3.109 11.779 2.309
203 H5 U 19 H5 U 19 -1.200 12.271 -1.411
204 H6 U 19 H6 U 19 0.902 12.188 -0.303
205 1H5* A 20 1H5* A 20 3.855 7.857 4.221
206 2H5* A 20 2H5* A 20 3.675 6.097 4.079
207 H4* A 20 H4* A 20 2.409 7.157 5.982
208 H3* A 20 H3* A 20 0.718 5.669 3.916
209 H2* A 20 H2* A 20 -1.101 6.115 5.321
210 2HO* A 20 2HO* A 20 -0.932 7.014 7.322
211 H1* A 20 H1* A 20 -0.646 8.613 5.671
212 H8 A 20 H8 A 20 0.594 7.980 2.076
213 1H6 A 20 1H6 A 20 -5.165 9.118 0.282
214 2H6 A 20 2H6 A 20 -3.504 8.820 -0.170
215 H2 A 20 H2 A 20 -5.198 8.663 4.788
216 1H5* C 21 1H5* C 21 -0.650 4.749 7.517
217 2H5* C 21 2H5* C 21 -0.998 3.124 7.805
218 H4* C 21 H4* C 21 -2.982 4.479 8.175
219 H3* C 21 H3* C 21 -3.263 2.691 5.723
220 H2* C 21 H2* C 21 -5.502 3.522 5.579
221 2HO* C 21 2HO* C 21 -5.630 3.567 7.988
222 H1* C 21 H1* C 21 -4.797 6.133 5.887
223 1H4 C 21 1H4 C 21 -4.772 5.705 -0.353
224 2H4 C 21 2H4 C 21 -3.068 5.291 -0.383
225 H5 C 21 H5 C 21 -1.804 4.768 1.737
226 H6 C 21 H6 C 21 -1.973 4.667 4.108
227 1H5* C 22 1H5* C 22 -6.720 1.915 8.195
228 2H5* C 22 2H5* C 22 -7.259 0.231 8.032
229 H4* C 22 H4* C 22 -8.923 1.986 7.246
230 H3* C 22 H3* C 22 -7.928 -0.080 5.258
231 H2* C 22 H2* C 22 -9.450 0.870 3.683
232 2HO* C 22 2HO* C 22 -10.978 1.217 5.589
233 H1* C 22 H1* C 22 -8.901 3.489 4.321
234 1H4 C 22 1H4 C 22 -5.523 2.549 -0.889
235 2H4 C 22 2H4 C 22 -4.132 1.975 0.010
236 H5 C 22 H5 C 22 -4.235 1.665 2.528
237 H6 C 22 H6 C 22 -5.668 1.784 4.432
238 1H5* U 23 1H5* U 23 -12.087 -0.155 4.527
239 2H5* U 23 2H5* U 23 -12.601 -1.826 4.248
240 H4* U 23 H4* U 23 -12.979 -0.331 2.293
241 H3* U 23 H3* U 23 -10.988 -2.583 1.887
242 H2* U 23 H2* U 23 -10.991 -1.932 -0.455
243 2HO* U 23 2HO* U 23 -13.331 -1.469 -0.345
244 H1* U 23 H1* U 23 -10.863 0.743 0.068
245 H3 U 23 H3 U 23 -6.777 -0.183 -1.642
246 H5 U 23 H5 U 23 -6.573 -1.571 2.330
247 H6 U 23 H6 U 23 -8.928 -1.143 2.548
248 1H5* U 24 1H5* U 24 -14.207 -2.732 -1.202
249 2H5* U 24 2H5* U 24 -14.433 -4.394 -1.761
250 H4* U 24 H4* U 24 -13.826 -2.705 -3.558
251 H3* U 24 H3* U 24 -11.995 -5.082 -3.120
252 H2* U 24 H2* U 24 -10.875 -4.350 -5.150
253 2HO* U 24 2HO* U 24 -13.068 -3.705 -6.002
254 H1* U 24 H1* U 24 -10.871 -1.691 -4.425
255 H3 U 24 H3 U 24 -6.499 -2.885 -4.124
256 H5 U 24 H5 U 24 -8.225 -4.511 -0.669
257 H6 U 24 H6 U 24 -10.417 -3.965 -1.543
258 1H5* U 25 1H5* U 25 -13.030 -5.142 -7.309
259 2H5* U 25 2H5* U 25 -13.212 -6.821 -7.841
260 H4* U 25 H4* U 25 -11.490 -5.594 -9.127
261 H3* U 25 H3* U 25 -10.414 -7.872 -7.412
262 H2* U 25 H2* U 25 -8.356 -7.532 -8.554
263 2HO* U 25 2HO* U 25 -9.601 -7.070 -10.577
264 H1* U 25 H1* U 25 -8.433 -4.796 -8.317
265 H3 U 25 H3 U 25 -5.188 -6.184 -5.411
266 H5 U 25 H5 U 25 -8.772 -6.745 -3.324
267 H6 U 25 H6 U 25 -9.986 -6.306 -5.362
268 1H5* G 26 1H5* G 26 -9.385 -8.975 -11.372
269 2H5* G 26 2H5* G 26 -9.439 -10.738 -11.568
270 H4* G 26 H4* G 26 -7.165 -9.731 -11.912
271 H3* G 26 H3* G 26 -7.466 -11.636 -9.566
272 H2* G 26 H2* G 26 -5.049 -11.484 -9.378
273 2HO* G 26 2HO* G 26 -4.923 -11.377 -11.794
274 H1* G 26 H1* G 26 -5.045 -8.733 -9.637
275 H8 G 26 H8 G 26 -8.059 -9.446 -7.509
276 H1 G 26 H1 G 26 -2.479 -10.211 -4.395
277 1H2 G 26 1H2 G 26 -0.783 -10.393 -5.929
278 2H2 G 26 2H2 G 26 -1.114 -10.206 -7.645
279 1H5* U 27 1H5* U 27 -4.214 -13.125 -12.107
280 2H5* U 27 2H5* U 27 -4.227 -14.897 -12.106
281 H4* U 27 H4* U 27 -2.052 -13.901 -11.399
282 H3* U 27 H3* U 27 -3.494 -15.517 -9.264
283 H2* U 27 H2* U 27 -1.434 -15.338 -8.053
284 2HO* U 27 2HO* U 27 -0.056 -15.533 -9.902
285 H1* U 27 H1* U 27 -1.197 -12.657 -8.492
286 H3 U 27 H3 U 27 -2.387 -13.395 -4.098
287 H5 U 27 H5 U 27 -6.006 -13.407 -6.257
288 H6 U 27 H6 U 27 -4.745 -13.391 -8.297
289 1H5* G 28 1H5* G 28 0.429 -17.456 -10.139
290 2H5* G 28 2H5* G 28 0.449 -19.133 -9.567
291 H4* G 28 H4* G 28 2.097 -17.467 -8.504
292 H3* G 28 H3* G 28 0.341 -19.107 -6.706
293 H2* G 28 H2* G 28 1.598 -18.072 -4.886
294 2HO* G 28 2HO* G 28 3.338 -16.749 -5.250
295 H1* G 28 H1* G 28 1.277 -15.543 -5.843
296 H8 G 28 H8 G 28 -1.973 -17.049 -6.872
297 H1 G 28 H1 G 28 -1.588 -16.132 -0.530
298 1H2 G 28 1H2 G 28 0.592 -15.938 0.085
299 2H2 G 28 2H2 G 28 1.862 -15.852 -1.126
300 1H5* U 29 1H5* U 29 4.148 -19.456 -5.277
301 2H5* U 29 2H5* U 29 4.641 -21.099 -4.832
302 H4* U 29 H4* U 29 4.793 -19.561 -2.921
303 H3* U 29 H3* U 29 2.650 -21.704 -2.681
304 H2* U 29 H2* U 29 2.292 -20.972 -0.453
305 2HO* U 29 2HO* U 29 4.696 -20.516 -0.311
306 H1* U 29 H1* U 29 2.223 -18.323 -1.080
307 H3 U 29 H3 U 29 -2.209 -19.512 -0.430
308 H5 U 29 H5 U 29 -1.385 -20.032 -4.520
309 H6 U 29 H6 U 29 0.898 -19.794 -4.067
310 1H5* C 30 1H5* C 30 5.191 -22.136 0.582
311 2H5* C 30 2H5* C 30 5.472 -23.836 0.999
312 H4* C 30 H4* C 30 4.476 -22.534 2.849
313 H3* C 30 H3* C 30 2.690 -24.687 1.640
314 H2* C 30 H2* C 30 1.184 -24.284 3.455
315 2HO* C 30 2HO* C 30 3.291 -23.964 4.808
316 H1* C 30 H1* C 30 1.582 -21.514 3.432
317 1H4 C 30 1H4 C 30 -3.949 -22.159 0.516
318 2H4 C 30 2H4 C 30 -3.202 -22.436 -1.048
319 H5 C 30 H5 C 30 -0.700 -22.902 -1.219
320 H6 C 30 H6 C 30 1.355 -22.909 0.035
321 H3T C 30 HE C 30 3.567 -25.946 3.215
Start of MODEL 9
1 1H5* G 1 1H5* G 1 -11.149 -19.850 6.497
2 2H5* G 1 2H5* G 1 -10.549 -21.000 5.296
3 H4* G 1 H4* G 1 -9.798 -21.110 8.098
4 H3* G 1 H3* G 1 -8.405 -19.861 5.735
5 H2* G 1 H2* G 1 -6.298 -20.428 6.810
6 2HO* G 1 2HO* G 1 -7.261 -20.050 8.976
7 H1* G 1 H1* G 1 -6.992 -22.994 7.205
8 H8 G 1 H8 G 1 -8.957 -22.256 4.112
9 H1 G 1 H1 G 1 -2.643 -22.128 2.925
10 1H2 G 1 1H2 G 1 -1.501 -22.218 4.891
11 2H2 G 1 2H2 G 1 -2.344 -22.427 6.422
12 1H5* G 2 1H5* G 2 -6.380 -18.407 9.206
13 2H5* G 2 2H5* G 2 -5.870 -16.732 9.000
14 H4* G 2 H4* G 2 -4.061 -18.485 9.540
15 H3* G 2 H3* G 2 -3.738 -16.645 7.187
16 H2* G 2 H2* G 2 -1.618 -17.641 6.743
17 2HO* G 2 2HO* G 2 -1.314 -17.912 9.126
18 H1* G 2 H1* G 2 -2.522 -20.193 6.897
19 H8 G 2 H8 G 2 -5.609 -19.025 5.384
20 H1 G 2 H1 G 2 -0.701 -18.261 1.326
21 1H2 G 2 1H2 G 2 1.239 -18.343 2.447
22 2H2 G 2 2H2 G 2 1.284 -18.532 4.198
23 1H5* C 3 1H5* C 3 -3.258 -12.582 7.952
24 2H5* C 3 2H5* C 3 -4.023 -13.327 6.556
25 H4* C 3 H4* C 3 -1.282 -14.026 7.723
26 H3* C 3 H3* C 3 -2.318 -12.549 5.290
27 H2* C 3 H2* C 3 -0.342 -13.188 4.104
28 2HO* C 3 2HO* C 3 0.888 -12.995 6.202
29 H1* C 3 H1* C 3 -0.513 -15.801 4.833
30 1H4 C 3 1H4 C 3 -4.116 -15.546 -0.438
31 2H4 C 3 2H4 C 3 -5.539 -15.337 0.552
32 H5 C 3 H5 C 3 -5.425 -15.042 3.012
33 H6 C 3 H6 C 3 -3.935 -14.895 4.893
34 1H5* A 4 1H5* A 4 1.575 -10.891 5.904
35 2H5* A 4 2H5* A 4 1.639 -9.157 5.526
36 H4* A 4 H4* A 4 3.082 -10.610 4.065
37 H3* A 4 H3* A 4 0.869 -9.000 2.762
38 H2* A 4 H2* A 4 1.655 -9.791 0.649
39 2HO* A 4 2HO* A 4 3.914 -9.579 1.504
40 H1* A 4 H1* A 4 2.016 -12.385 1.422
41 H8 A 4 H8 A 4 -1.153 -11.247 3.168
42 1H6 A 4 1H6 A 4 -4.105 -12.781 -2.034
43 2H6 A 4 2H6 A 4 -4.237 -12.365 -0.333
44 H2 A 4 H2 A 4 0.299 -12.639 -2.938
45 1H5* C 5 1H5* C 5 4.510 -7.824 0.600
46 2H5* C 5 2H5* C 5 4.368 -6.140 0.056
47 H4* C 5 H4* C 5 4.513 -7.852 -1.804
48 H3* C 5 H3* C 5 1.999 -6.159 -1.650
49 H2* C 5 H2* C 5 1.351 -7.230 -3.714
50 2HO* C 5 2HO* C 5 3.727 -7.174 -4.331
51 H1* C 5 H1* C 5 2.088 -9.754 -2.923
52 1H4 C 5 1H4 C 5 -4.177 -9.297 -1.915
53 2H4 C 5 2H4 C 5 -3.929 -8.525 -0.364
54 H5 C 5 H5 C 5 -1.644 -7.927 0.479
55 H6 C 5 H6 C 5 0.679 -7.885 -0.094
56 1H5* U 6 1H5* U 6 3.010 -5.807 -5.695
57 2H5* U 6 2H5* U 6 2.717 -4.191 -6.343
58 H4* U 6 H4* U 6 1.393 -6.031 -7.438
59 H3* U 6 H3* U 6 -0.143 -3.798 -6.093
60 H2* U 6 H2* U 6 -2.179 -4.848 -6.770
61 2HO* U 6 2HO* U 6 -1.061 -5.425 -8.845
62 H1* U 6 H1* U 6 -1.431 -7.391 -6.169
63 H3 U 6 H3 U 6 -4.653 -6.147 -3.168
64 H5 U 6 H5 U 6 -0.964 -5.157 -1.404
65 H6 U 6 H6 U 6 0.085 -5.494 -3.515
66 1H5* C 7 1H5* C 7 -0.718 -2.977 -10.467
67 2H5* C 7 2H5* C 7 -0.880 -1.254 -10.853
68 H4* C 7 H4* C 7 -3.109 -2.470 -10.552
69 H3* C 7 H3* C 7 -2.431 -0.248 -8.597
70 H2* C 7 H2* C 7 -4.632 -0.515 -7.769
71 2HO* C 7 2HO* C 7 -5.742 -0.535 -9.725
72 H1* C 7 H1* C 7 -4.692 -3.314 -8.300
73 1H4 C 7 1H4 C 7 -4.678 -2.890 -2.016
74 2H4 C 7 2H4 C 7 -2.937 -2.697 -1.917
75 H5 C 7 H5 C 7 -1.541 -2.464 -4.074
76 H6 C 7 H6 C 7 -1.722 -2.300 -6.457
77 1H5* U 8 1H5* U 8 -6.170 0.440 -11.444
78 2H5* U 8 2H5* U 8 -6.348 2.198 -11.599
79 H4* U 8 H4* U 8 -8.492 1.025 -11.051
80 H3* U 8 H3* U 8 -7.419 2.995 -9.007
81 H2* U 8 H2* U 8 -9.502 2.671 -7.838
82 2HO* U 8 2HO* U 8 -10.609 2.585 -9.983
83 H1* U 8 H1* U 8 -9.559 -0.061 -8.184
84 H3 U 8 H3 U 8 -8.840 0.431 -3.704
85 H5 U 8 H5 U 8 -5.073 1.056 -5.482
86 H6 U 8 H6 U 8 -6.148 1.151 -7.632
87 1H5* G 9 1H5* G 9 -11.538 4.396 -9.838
88 2H5* G 9 2H5* G 9 -11.568 6.154 -9.605
89 H4* G 9 H4* G 9 -13.067 4.867 -8.044
90 H3* G 9 H3* G 9 -10.833 6.492 -6.799
91 H2* G 9 H2* G 9 -11.787 5.877 -4.652
92 2HO* G 9 2HO* G 9 -13.986 6.026 -5.643
93 H1* G 9 H1* G 9 -12.083 3.240 -5.281
94 H8 G 9 H8 G 9 -8.822 4.509 -6.866
95 H1 G 9 H1 G 9 -8.409 3.135 -0.604
96 1H2 G 9 1H2 G 9 -10.497 3.055 0.285
97 2H2 G 9 2H2 G 9 -11.908 3.066 -0.765
98 1H5* G 10 1H5* G 10 -14.640 7.550 -4.745
99 2H5* G 10 2H5* G 10 -14.569 9.231 -4.198
100 H4* G 10 H4* G 10 -14.942 7.472 -2.393
101 H3* G 10 H3* G 10 -12.591 9.364 -2.172
102 H2* G 10 H2* G 10 -12.155 8.364 -0.012
103 2HO* G 10 2HO* G 10 -14.559 8.224 0.308
104 H1* G 10 H1* G 10 -12.530 5.784 -0.838
105 H8 G 10 H8 G 10 -10.698 7.487 -3.680
106 H1 G 10 H1 G 10 -6.940 6.002 1.320
107 1H2 G 10 1H2 G 10 -8.228 5.695 3.165
108 2H2 G 10 2H2 G 10 -9.983 5.648 3.041
109 1H5* U 11 1H5* U 11 -14.729 9.521 1.742
110 2H5* U 11 2H5* U 11 -14.595 11.165 2.391
111 H4* U 11 H4* U 11 -13.551 9.361 3.860
112 H3* U 11 H3* U 11 -11.719 11.549 2.874
113 H2* U 11 H2* U 11 -10.110 10.517 4.345
114 2HO* U 11 2HO* U 11 -11.718 10.073 5.984
115 H1* U 11 H1* U 11 -10.626 7.972 3.546
116 H3 U 11 H3 U 11 -6.533 9.202 1.959
117 H5 U 11 H5 U 11 -9.297 10.664 -0.869
118 H6 U 11 H6 U 11 -11.055 10.170 0.664
119 1H5* A 12 1H5* A 12 -12.968 12.565 7.204
120 2H5* A 12 2H5* A 12 -12.414 14.161 7.730
121 H4* A 12 H4* A 12 -10.974 12.159 8.408
122 H3* A 12 H3* A 12 -9.739 14.457 6.904
123 H2* A 12 H2* A 12 -7.630 13.366 7.255
124 2HO* A 12 2HO* A 12 -8.025 12.774 9.435
125 H1* A 12 H1* A 12 -8.582 10.821 6.649
126 H8 A 12 H8 A 12 -10.143 13.286 4.313
127 1H6 A 12 1H6 A 12 -5.155 12.607 0.744
128 2H6 A 12 2H6 A 12 -6.822 13.153 0.854
129 H2 A 12 H2 A 12 -4.101 11.154 4.865
130 1H5* U 13 1H5* U 13 -6.414 15.730 11.216
131 2H5* U 13 2H5* U 13 -6.495 16.398 9.589
132 H4* U 13 H4* U 13 -4.879 14.055 10.596
133 H3* U 13 H3* U 13 -4.524 16.533 8.889
134 H2* U 13 H2* U 13 -2.793 15.543 7.624
135 2HO* U 13 2HO* U 13 -2.122 14.427 9.753
136 H1* U 13 H1* U 13 -4.044 13.149 7.262
137 H3 U 13 H3 U 13 -4.707 15.046 3.187
138 H5 U 13 H5 U 13 -7.904 16.317 5.621
139 H6 U 13 H6 U 13 -6.639 15.636 7.540
140 1H5* C 14 1H5* C 14 -0.776 16.180 9.526
141 2H5* C 14 2H5* C 14 -0.049 17.688 10.115
142 H4* C 14 H4* C 14 0.991 17.169 8.031
143 H3* C 14 H3* C 14 -1.106 19.285 7.521
144 H2* C 14 H2* C 14 -0.027 19.416 5.301
145 2HO* C 14 2HO* C 14 1.785 18.119 4.847
146 H1* C 14 H1* C 14 -0.232 16.730 4.984
147 1H4 C 14 1H4 C 14 -5.826 19.024 2.928
148 2H4 C 14 2H4 C 14 -6.477 19.057 4.553
149 H5 C 14 H5 C 14 -5.086 18.453 6.541
150 H6 C 14 H6 C 14 -2.904 17.815 7.249
151 1H5* A 15 1H5* A 15 0.130 22.684 6.217
152 2H5* A 15 2H5* A 15 1.133 21.246 5.963
153 H4* A 15 H4* A 15 1.737 24.140 5.478
154 H3* A 15 H3* A 15 1.189 22.070 3.804
155 H2* A 15 H2* A 15 2.732 20.504 4.669
156 2HO* A 15 2HO* A 15 3.720 21.979 2.531
157 H1* A 15 H1* A 15 4.880 22.578 4.713
158 H8 A 15 H8 A 15 3.204 19.871 6.913
159 1H6 A 15 1H6 A 15 8.952 18.794 8.975
160 2H6 A 15 2H6 A 15 7.266 18.289 9.039
161 H2 A 15 H2 A 15 9.124 22.247 6.157
162 1H5* C 16 1H5* C 16 1.518 21.747 0.737
163 2H5* C 16 2H5* C 16 1.517 23.180 -0.249
164 H4* C 16 H4* C 16 0.143 21.492 -1.189
165 H3* C 16 H3* C 16 -0.854 24.020 -1.177
166 H2* C 16 H2* C 16 -1.755 23.895 1.100
167 2HO* C 16 2HO* C 16 -3.660 23.398 -0.904
168 H1* C 16 H1* C 16 -3.108 21.298 0.305
169 1H4 C 16 1H4 C 16 -4.161 21.751 6.669
170 2H4 C 16 2H4 C 16 -2.443 21.550 6.977
171 H5 C 16 H5 C 16 -0.833 21.278 5.127
172 H6 C 16 H6 C 16 -0.504 21.342 2.776
173 1H5* G 17 1H5* G 17 1.049 22.769 -3.951
174 2H5* G 17 2H5* G 17 0.566 21.514 -5.059
175 H4* G 17 H4* G 17 2.845 21.338 -4.426
176 H3* G 17 H3* G 17 1.232 19.089 -3.188
177 H2* G 17 H2* G 17 3.390 18.225 -2.630
178 2HO* G 17 2HO* G 17 3.981 18.942 -4.969
179 H1* G 17 H1* G 17 4.581 20.817 -2.406
180 H8 G 17 H8 G 17 5.725 19.876 -0.315
181 H1 G 17 H1 G 17 0.159 18.040 2.267
182 1H2 G 17 1H2 G 17 -1.456 18.048 0.701
183 2H2 G 17 2H2 G 17 -1.129 18.679 -0.901
184 1H5* G 18 1H5* G 18 3.332 16.872 -4.405
185 2H5* G 18 2H5* G 18 2.701 15.374 -4.999
186 H4* G 18 H4* G 18 3.845 15.626 -2.587
187 H3* G 18 H3* G 18 1.391 13.906 -2.999
188 H2* G 18 H2* G 18 1.648 13.353 -0.649
189 2HO* G 18 2HO* G 18 4.029 13.357 -0.891
190 H1* G 18 H1* G 18 2.142 15.924 0.162
191 H8 G 18 H8 G 18 -0.564 15.839 -2.551
192 H1 G 18 H1 G 18 -2.632 14.520 3.407
193 1H2 G 18 1H2 G 18 -0.872 14.118 4.740
194 2H2 G 18 2H2 G 18 0.775 14.308 4.158
195 1H5* U 19 1H5* U 19 4.526 11.705 -0.621
196 2H5* U 19 2H5* U 19 4.305 9.966 -0.809
197 H4* U 19 H4* U 19 4.102 10.993 1.548
198 H3* U 19 H3* U 19 1.948 9.121 0.504
199 H2* U 19 H2* U 19 1.006 9.278 2.721
200 2HO* U 19 2HO* U 19 3.155 9.282 3.701
201 H1* U 19 H1* U 19 1.240 11.976 2.926
202 H3 U 19 H3 U 19 -3.247 11.583 2.189
203 H5 U 19 H5 U 19 -1.479 11.410 -1.623
204 H6 U 19 H6 U 19 0.651 11.146 -0.581
205 1H5* A 20 1H5* A 20 3.642 7.313 4.143
206 2H5* A 20 2H5* A 20 3.492 5.545 4.098
207 H4* A 20 H4* A 20 2.207 6.627 5.943
208 H3* A 20 H3* A 20 0.477 5.154 3.890
209 H2* A 20 H2* A 20 -1.306 5.635 5.322
210 2HO* A 20 2HO* A 20 -1.087 6.530 7.321
211 H1* A 20 H1* A 20 -0.817 8.139 5.623
212 H8 A 20 H8 A 20 0.375 7.279 2.050
213 1H6 A 20 1H6 A 20 -5.248 8.951 0.228
214 2H6 A 20 2H6 A 20 -3.633 8.460 -0.220
215 H2 A 20 H2 A 20 -5.311 8.604 4.745
216 1H5* C 21 1H5* C 21 -0.928 4.290 7.515
217 2H5* C 21 2H5* C 21 -1.364 2.673 7.772
218 H4* C 21 H4* C 21 -3.267 4.142 8.157
219 H3* C 21 H3* C 21 -3.633 2.367 5.706
220 H2* C 21 H2* C 21 -5.828 3.308 5.552
221 2HO* C 21 2HO* C 21 -5.939 3.361 7.968
222 H1* C 21 H1* C 21 -5.007 5.884 5.865
223 1H4 C 21 1H4 C 21 -4.962 5.524 -0.374
224 2H4 C 21 2H4 C 21 -3.284 5.016 -0.399
225 H5 C 21 H5 C 21 -2.071 4.380 1.718
226 H6 C 21 H6 C 21 -2.254 4.271 4.086
227 1H5* C 22 1H5* C 22 -7.155 1.771 8.127
228 2H5* C 22 2H5* C 22 -7.745 0.103 7.972
229 H4* C 22 H4* C 22 -9.346 1.885 7.140
230 H3* C 22 H3* C 22 -8.352 -0.202 5.171
231 H2* C 22 H2* C 22 -9.812 0.783 3.568
232 2HO* C 22 2HO* C 22 -11.378 1.139 5.440
233 H1* C 22 H1* C 22 -9.251 3.395 4.246
234 1H4 C 22 1H4 C 22 -5.848 2.468 -0.948
235 2H4 C 22 2H4 C 22 -4.482 1.831 -0.055
236 H5 C 22 H5 C 22 -4.609 1.485 2.463
237 H6 C 22 H6 C 22 -6.058 1.604 4.359
238 1H5* U 23 1H5* U 23 -12.534 -0.167 4.402
239 2H5* U 23 2H5* U 23 -13.081 -1.816 4.066
240 H4* U 23 H4* U 23 -13.385 -0.223 2.160
241 H3* U 23 H3* U 23 -11.532 -2.579 1.711
242 H2* U 23 H2* U 23 -11.452 -1.870 -0.610
243 2HO* U 23 2HO* U 23 -13.761 -1.292 -0.536
244 H1* U 23 H1* U 23 -11.199 0.788 -0.026
245 H3 U 23 H3 U 23 -7.127 -0.210 -1.695
246 H5 U 23 H5 U 23 -7.032 -1.731 2.234
247 H6 U 23 H6 U 23 -9.381 -1.257 2.420
248 1H5* U 24 1H5* U 24 -14.716 -2.480 -1.464
249 2H5* U 24 2H5* U 24 -15.026 -4.137 -2.005
250 H4* U 24 H4* U 24 -14.293 -2.564 -3.841
251 H3* U 24 H3* U 24 -12.506 -4.931 -3.219
252 H2* U 24 H2* U 24 -11.317 -4.338 -5.228
253 2HO* U 24 2HO* U 24 -12.041 -2.794 -6.640
254 H1* U 24 H1* U 24 -11.310 -1.634 -4.627
255 H3 U 24 H3 U 24 -6.969 -2.830 -4.207
256 H5 U 24 H5 U 24 -8.771 -4.339 -0.732
257 H6 U 24 H6 U 24 -10.945 -3.816 -1.670
258 1H5* U 25 1H5* U 25 -13.421 -5.136 -7.363
259 2H5* U 25 2H5* U 25 -13.593 -6.818 -7.892
260 H4* U 25 H4* U 25 -11.848 -5.612 -9.160
261 H3* U 25 H3* U 25 -10.790 -7.847 -7.377
262 H2* U 25 H2* U 25 -8.710 -7.504 -8.472
263 2HO* U 25 2HO* U 25 -9.885 -7.123 -10.537
264 H1* U 25 H1* U 25 -8.830 -4.760 -8.327
265 H3 U 25 H3 U 25 -5.569 -5.986 -5.370
266 H5 U 25 H5 U 25 -9.142 -6.688 -3.309
267 H6 U 25 H6 U 25 -10.366 -6.279 -5.356
268 1H5* G 26 1H5* G 26 -9.609 -9.015 -11.316
269 2H5* G 26 2H5* G 26 -9.570 -10.785 -11.438
270 H4* G 26 H4* G 26 -7.352 -9.645 -11.773
271 H3* G 26 H3* G 26 -7.589 -11.555 -9.427
272 H2* G 26 H2* G 26 -5.194 -11.244 -9.158
273 2HO* G 26 2HO* G 26 -4.974 -11.139 -11.559
274 H1* G 26 H1* G 26 -5.329 -8.519 -9.414
275 H8 G 26 H8 G 26 -8.413 -9.416 -7.428
276 H1 G 26 H1 G 26 -2.936 -9.825 -4.075
277 1H2 G 26 1H2 G 26 -1.165 -9.878 -5.535
278 2H2 G 26 2H2 G 26 -1.433 -9.666 -7.257
279 1H5* U 27 1H5* U 27 -4.124 -12.759 -11.917
280 2H5* U 27 2H5* U 27 -3.939 -14.518 -11.870
281 H4* U 27 H4* U 27 -1.915 -13.210 -11.154
282 H3* U 27 H3* U 27 -3.112 -15.080 -9.073
283 H2* U 27 H2* U 27 -1.146 -14.625 -7.826
284 2HO* U 27 2HO* U 27 0.238 -14.553 -9.737
285 H1* U 27 H1* U 27 -1.286 -11.934 -8.177
286 H3 U 27 H3 U 27 -2.471 -12.995 -3.847
287 H5 U 27 H5 U 27 -6.008 -13.319 -6.117
288 H6 U 27 H6 U 27 -4.693 -13.116 -8.110
289 1H5* G 28 1H5* G 28 1.049 -16.298 -9.839
290 2H5* G 28 2H5* G 28 1.331 -17.984 -9.376
291 H4* G 28 H4* G 28 2.632 -16.157 -8.135
292 H3* G 28 H3* G 28 1.117 -18.190 -6.520
293 H2* G 28 H2* G 28 2.105 -17.086 -4.580
294 2HO* G 28 2HO* G 28 4.083 -16.702 -5.998
295 H1* G 28 H1* G 28 1.444 -14.572 -5.395
296 H8 G 28 H8 G 28 -1.474 -16.429 -6.729
297 H1 G 28 H1 G 28 -1.725 -15.871 -0.343
298 1H2 G 28 1H2 G 28 0.309 -15.368 0.488
299 2H2 G 28 2H2 G 28 1.685 -15.134 -0.564
300 1H5* U 29 1H5* U 29 5.009 -18.228 -5.032
301 2H5* U 29 2H5* U 29 5.606 -19.860 -4.676
302 H4* U 29 H4* U 29 5.537 -18.435 -2.669
303 H3* U 29 H3* U 29 3.574 -20.761 -2.644
304 H2* U 29 H2* U 29 3.109 -20.185 -0.386
305 2HO* U 29 2HO* U 29 5.475 -19.543 -0.176
306 H1* U 29 H1* U 29 2.852 -17.512 -0.883
307 H3 U 29 H3 U 29 -1.468 -19.059 -0.339
308 H5 U 29 H5 U 29 -0.559 -19.421 -4.429
309 H6 U 29 H6 U 29 1.697 -18.992 -3.945
310 1H5* C 30 1H5* C 30 5.975 -21.167 0.736
311 2H5* C 30 2H5* C 30 6.369 -22.861 1.065
312 H4* C 30 H4* C 30 5.175 -21.728 2.930
313 H3* C 30 H3* C 30 3.713 -24.019 1.556
314 H2* C 30 H2* C 30 2.031 -23.833 3.221
315 2HO* C 30 2HO* C 30 2.381 -22.618 5.122
316 H1* C 30 H1* C 30 2.180 -21.022 3.399
317 1H4 C 30 1H4 C 30 -3.148 -21.901 0.205
318 2H4 C 30 2H4 C 30 -2.304 -21.979 -1.328
319 H5 C 30 H5 C 30 0.230 -22.240 -1.414
320 H6 C 30 H6 C 30 2.218 -22.188 -0.069
321 H3T C 30 HE C 30 4.769 -23.994 4.140
Start of MODEL 10
1 1H5* G 1 1H5* G 1 -10.848 -21.954 7.915
2 2H5* G 1 2H5* G 1 -10.436 -22.659 6.339
3 H4* G 1 H4* G 1 -8.678 -22.756 8.647
4 H3* G 1 H3* G 1 -8.595 -20.996 6.196
5 H2* G 1 H2* G 1 -6.198 -20.928 6.550
6 2HO* G 1 2HO* G 1 -6.556 -20.853 8.924
7 H1* G 1 H1* G 1 -6.020 -23.616 7.123
8 H8 G 1 H8 G 1 -8.409 -23.193 4.187
9 H1 G 1 H1 G 1 -2.213 -22.510 2.605
10 1H2 G 1 1H2 G 1 -0.968 -22.352 4.519
11 2H2 G 1 2H2 G 1 -1.725 -22.487 6.101
12 1H5* G 2 1H5* G 2 -6.091 -19.177 9.297
13 2H5* G 2 2H5* G 2 -6.092 -17.418 9.123
14 H4* G 2 H4* G 2 -3.791 -18.514 8.974
15 H3* G 2 H3* G 2 -4.730 -16.938 6.565
16 H2* G 2 H2* G 2 -2.456 -17.191 5.855
17 2HO* G 2 2HO* G 2 -1.631 -16.902 8.062
18 H1* G 2 H1* G 2 -2.300 -19.853 6.607
19 H8 G 2 H8 G 2 -5.633 -19.415 4.910
20 H1 G 2 H1 G 2 -0.641 -19.048 0.844
21 1H2 G 2 1H2 G 2 1.258 -18.956 1.998
22 2H2 G 2 2H2 G 2 1.280 -19.048 3.755
23 1H5* C 3 1H5* C 3 -1.144 -15.285 8.355
24 2H5* C 3 2H5* C 3 -0.877 -13.581 8.016
25 H4* C 3 H4* C 3 0.837 -15.353 7.181
26 H3* C 3 H3* C 3 -0.288 -13.270 5.253
27 H2* C 3 H2* C 3 1.144 -14.187 3.549
28 2HO* C 3 2HO* C 3 2.815 -14.516 5.278
29 H1* C 3 H1* C 3 0.615 -16.792 4.151
30 1H4 C 3 1H4 C 3 -3.502 -15.890 -0.511
31 2H4 C 3 2H4 C 3 -4.733 -15.412 0.637
32 H5 C 3 H5 C 3 -4.218 -14.965 3.045
33 H6 C 3 H6 C 3 -2.482 -15.032 4.691
34 1H5* A 4 1H5* A 4 1.501 -9.160 5.341
35 2H5* A 4 2H5* A 4 -0.004 -9.497 4.482
36 H4* A 4 H4* A 4 2.656 -10.960 4.164
37 H3* A 4 H3* A 4 0.937 -9.177 2.402
38 H2* A 4 H2* A 4 1.746 -10.364 0.494
39 2HO* A 4 2HO* A 4 3.916 -10.394 1.659
40 H1* A 4 H1* A 4 1.656 -12.865 1.682
41 H8 A 4 H8 A 4 -1.510 -11.497 2.945
42 1H6 A 4 1H6 A 4 -4.116 -13.047 -2.419
43 2H6 A 4 2H6 A 4 -4.341 -12.561 -0.747
44 H2 A 4 H2 A 4 0.355 -13.057 -3.015
45 1H5* C 5 1H5* C 5 4.694 -8.254 0.503
46 2H5* C 5 2H5* C 5 4.651 -6.550 0.007
47 H4* C 5 H4* C 5 4.691 -8.147 -1.917
48 H3* C 5 H3* C 5 2.156 -6.496 -1.636
49 H2* C 5 H2* C 5 1.487 -7.481 -3.732
50 2HO* C 5 2HO* C 5 3.855 -7.355 -4.389
51 H1* C 5 H1* C 5 2.303 -10.025 -3.078
52 1H4 C 5 1H4 C 5 -3.966 -9.624 -1.977
53 2H4 C 5 2H4 C 5 -3.706 -8.915 -0.398
54 H5 C 5 H5 C 5 -1.418 -8.310 0.428
55 H6 C 5 H6 C 5 0.910 -8.271 -0.160
56 1H5* U 6 1H5* U 6 3.004 -5.956 -5.689
57 2H5* U 6 2H5* U 6 2.667 -4.314 -6.244
58 H4* U 6 H4* U 6 1.333 -6.140 -7.368
59 H3* U 6 H3* U 6 -0.178 -3.953 -5.926
60 H2* U 6 H2* U 6 -2.222 -4.982 -6.595
61 2HO* U 6 2HO* U 6 -1.138 -5.503 -8.705
62 H1* U 6 H1* U 6 -1.457 -7.541 -6.083
63 H3 U 6 H3 U 6 -4.608 -6.408 -2.962
64 H5 U 6 H5 U 6 -0.873 -5.493 -1.256
65 H6 U 6 H6 U 6 0.129 -5.767 -3.399
66 1H5* C 7 1H5* C 7 -0.992 -3.012 -10.196
67 2H5* C 7 2H5* C 7 -1.120 -1.275 -10.538
68 H4* C 7 H4* C 7 -3.376 -2.475 -10.229
69 H3* C 7 H3* C 7 -2.629 -0.285 -8.263
70 H2* C 7 H2* C 7 -4.788 -0.556 -7.344
71 2HO* C 7 2HO* C 7 -5.960 -0.531 -9.282
72 H1* C 7 H1* C 7 -4.898 -3.343 -7.941
73 1H4 C 7 1H4 C 7 -4.633 -3.116 -1.665
74 2H4 C 7 2H4 C 7 -2.876 -3.040 -1.630
75 H5 C 7 H5 C 7 -1.562 -2.764 -3.831
76 H6 C 7 H6 C 7 -1.833 -2.500 -6.197
77 1H5* U 8 1H5* U 8 -6.489 0.346 -10.989
78 2H5* U 8 2H5* U 8 -6.649 2.101 -11.183
79 H4* U 8 H4* U 8 -8.806 0.972 -10.618
80 H3* U 8 H3* U 8 -7.705 2.964 -8.615
81 H2* U 8 H2* U 8 -9.807 2.718 -7.455
82 2HO* U 8 2HO* U 8 -10.909 2.603 -9.597
83 H1* U 8 H1* U 8 -9.908 -0.027 -7.737
84 H3 U 8 H3 U 8 -9.240 0.662 -3.265
85 H5 U 8 H5 U 8 -5.419 0.929 -5.015
86 H6 U 8 H6 U 8 -6.458 0.984 -7.184
87 1H5* G 9 1H5* G 9 -11.777 4.436 -9.570
88 2H5* G 9 2H5* G 9 -11.764 6.203 -9.411
89 H4* G 9 H4* G 9 -13.340 5.047 -7.836
90 H3* G 9 H3* G 9 -11.054 6.601 -6.591
91 H2* G 9 H2* G 9 -12.103 6.124 -4.455
92 2HO* G 9 2HO* G 9 -14.260 6.357 -5.519
93 H1* G 9 H1* G 9 -12.531 3.481 -5.009
94 H8 G 9 H8 G 9 -9.155 4.617 -6.484
95 H1 G 9 H1 G 9 -9.049 3.299 -0.195
96 1H2 G 9 1H2 G 9 -11.185 3.189 0.583
97 2H2 G 9 2H2 G 9 -12.536 3.198 -0.543
98 1H5* G 10 1H5* G 10 -14.828 7.962 -4.690
99 2H5* G 10 2H5* G 10 -14.665 9.662 -4.225
100 H4* G 10 H4* G 10 -15.192 8.051 -2.339
101 H3* G 10 H3* G 10 -12.673 9.723 -2.166
102 H2* G 10 H2* G 10 -12.425 8.831 0.073
103 2HO* G 10 2HO* G 10 -14.830 8.956 0.314
104 H1* G 10 H1* G 10 -13.034 6.251 -0.630
105 H8 G 10 H8 G 10 -10.887 7.636 -3.437
106 H1 G 10 H1 G 10 -7.578 6.162 1.876
107 1H2 G 10 1H2 G 10 -9.018 6.020 3.638
108 2H2 G 10 2H2 G 10 -10.759 6.074 3.382
109 1H5* U 11 1H5* U 11 -14.880 10.404 1.628
110 2H5* U 11 2H5* U 11 -14.603 12.078 2.142
111 H4* U 11 H4* U 11 -13.798 10.341 3.807
112 H3* U 11 H3* U 11 -11.687 12.185 2.677
113 H2* U 11 H2* U 11 -10.255 11.146 4.312
114 2HO* U 11 2HO* U 11 -11.965 11.065 5.911
115 H1* U 11 H1* U 11 -11.050 8.599 3.739
116 H3 U 11 H3 U 11 -6.779 9.356 2.298
117 H5 U 11 H5 U 11 -9.257 10.723 -0.835
118 H6 U 11 H6 U 11 -11.139 10.482 0.623
119 1H5* A 12 1H5* A 12 -13.178 13.848 6.773
120 2H5* A 12 2H5* A 12 -12.537 15.452 7.143
121 H4* A 12 H4* A 12 -11.269 13.485 8.130
122 H3* A 12 H3* A 12 -9.781 15.447 6.399
123 H2* A 12 H2* A 12 -7.801 14.284 7.070
124 2HO* A 12 2HO* A 12 -8.426 14.083 9.285
125 H1* A 12 H1* A 12 -8.920 11.748 6.778
126 H8 A 12 H8 A 12 -10.115 13.935 3.988
127 1H6 A 12 1H6 A 12 -4.861 12.574 1.027
128 2H6 A 12 2H6 A 12 -6.497 13.201 0.900
129 H2 A 12 H2 A 12 -4.301 11.561 5.368
130 1H5* U 13 1H5* U 13 -6.747 17.347 10.616
131 2H5* U 13 2H5* U 13 -6.684 17.661 8.884
132 H4* U 13 H4* U 13 -5.277 15.497 10.459
133 H3* U 13 H3* U 13 -4.664 17.602 8.367
134 H2* U 13 H2* U 13 -2.873 16.360 7.499
135 2HO* U 13 2HO* U 13 -2.457 15.644 9.858
136 H1* U 13 H1* U 13 -4.204 13.965 7.458
137 H3 U 13 H3 U 13 -4.236 15.238 3.069
138 H5 U 13 H5 U 13 -7.718 16.831 4.854
139 H6 U 13 H6 U 13 -6.695 16.478 6.995
140 1H5* C 14 1H5* C 14 -1.105 17.403 9.533
141 2H5* C 14 2H5* C 14 -0.414 18.989 9.933
142 H4* C 14 H4* C 14 0.864 18.085 8.149
143 H3* C 14 H3* C 14 -1.095 20.054 6.947
144 H2* C 14 H2* C 14 0.326 19.781 4.929
145 2HO* C 14 2HO* C 14 2.145 19.217 6.625
146 H1* C 14 H1* C 14 0.050 17.084 5.080
147 1H4 C 14 1H4 C 14 -5.176 19.000 1.941
148 2H4 C 14 2H4 C 14 -6.032 19.327 3.433
149 H5 C 14 H5 C 14 -4.917 19.075 5.665
150 H6 C 14 H6 C 14 -2.854 18.569 6.747
151 1H5* A 15 1H5* A 15 0.057 23.014 5.081
152 2H5* A 15 2H5* A 15 1.273 21.723 5.129
153 H4* A 15 H4* A 15 1.483 24.575 4.207
154 H3* A 15 H3* A 15 1.451 22.263 2.778
155 H2* A 15 H2* A 15 3.039 21.059 4.023
156 2HO* A 15 2HO* A 15 4.135 20.774 2.157
157 H1* A 15 H1* A 15 4.890 23.372 4.008
158 H8 A 15 H8 A 15 3.354 20.630 6.229
159 1H6 A 15 1H6 A 15 8.307 21.373 9.860
160 2H6 A 15 2H6 A 15 6.848 20.434 9.560
161 H2 A 15 H2 A 15 8.496 24.456 6.638
162 1H5* C 16 1H5* C 16 1.923 21.637 -0.050
163 2H5* C 16 2H5* C 16 2.052 22.953 -1.194
164 H4* C 16 H4* C 16 0.773 21.177 -2.122
165 H3* C 16 H3* C 16 -0.227 23.695 -2.366
166 H2* C 16 H2* C 16 -1.419 23.723 -0.317
167 2HO* C 16 2HO* C 16 -3.688 23.137 -0.868
168 H1* C 16 H1* C 16 -2.565 21.007 -0.848
169 1H4 C 16 1H4 C 16 -3.965 22.370 5.313
170 2H4 C 16 2H4 C 16 -2.309 22.056 5.788
171 H5 C 16 H5 C 16 -0.618 21.355 4.078
172 H6 C 16 H6 C 16 -0.106 21.214 1.782
173 1H5* G 17 1H5* G 17 0.448 19.583 -5.354
174 2H5* G 17 2H5* G 17 0.360 19.738 -3.601
175 H4* G 17 H4* G 17 2.900 19.926 -5.301
176 H3* G 17 H3* G 17 1.811 17.837 -3.380
177 H2* G 17 H2* G 17 3.989 17.387 -2.663
178 2HO* G 17 2HO* G 17 4.497 17.530 -5.153
179 H1* G 17 H1* G 17 4.993 20.016 -3.186
180 H8 G 17 H8 G 17 6.131 19.936 -0.835
181 H1 G 17 H1 G 17 0.682 18.279 2.103
182 1H2 G 17 1H2 G 17 -0.917 17.851 0.623
183 2H2 G 17 2H2 G 17 -0.637 18.040 -1.097
184 1H5* G 18 1H5* G 18 4.176 15.440 -4.071
185 2H5* G 18 2H5* G 18 3.619 13.769 -4.231
186 H4* G 18 H4* G 18 4.740 14.599 -1.993
187 H3* G 18 H3* G 18 2.199 12.960 -2.060
188 H2* G 18 H2* G 18 2.319 12.929 0.348
189 2HO* G 18 2HO* G 18 4.767 12.821 0.114
190 H1* G 18 H1* G 18 2.919 15.605 0.599
191 H8 G 18 H8 G 18 0.403 15.083 -2.217
192 H1 G 18 H1 G 18 -2.216 14.672 3.651
193 1H2 G 18 1H2 G 18 -0.585 14.432 5.181
194 2H2 G 18 2H2 G 18 1.111 14.531 4.736
195 1H5* U 19 1H5* U 19 4.801 11.091 0.868
196 2H5* U 19 2H5* U 19 4.594 9.338 0.849
197 H4* U 19 H4* U 19 4.112 10.484 3.042
198 H3* U 19 H3* U 19 1.872 8.834 1.813
199 H2* U 19 H2* U 19 0.724 9.217 3.902
200 2HO* U 19 2HO* U 19 2.731 9.028 5.129
201 H1* U 19 H1* U 19 1.254 11.881 3.983
202 H3 U 19 H3 U 19 -3.174 11.607 2.745
203 H5 U 19 H5 U 19 -0.966 11.276 -0.825
204 H6 U 19 H6 U 19 1.013 11.031 0.464
205 1H5* A 20 1H5* A 20 2.965 7.020 5.628
206 2H5* A 20 2H5* A 20 2.640 5.276 5.648
207 H4* A 20 H4* A 20 1.344 6.568 7.320
208 H3* A 20 H3* A 20 -0.374 5.159 5.211
209 H2* A 20 H2* A 20 -2.212 5.882 6.492
210 2HO* A 20 2HO* A 20 -0.754 5.734 8.521
211 H1* A 20 H1* A 20 -1.503 8.325 6.724
212 H8 A 20 H8 A 20 -0.051 7.295 3.297
213 1H6 A 20 1H6 A 20 -5.375 9.121 0.859
214 2H6 A 20 2H6 A 20 -3.743 8.556 0.609
215 H2 A 20 H2 A 20 -5.900 9.005 5.364
216 1H5* C 21 1H5* C 21 -2.232 4.592 8.656
217 2H5* C 21 2H5* C 21 -2.735 2.998 8.943
218 H4* C 21 H4* C 21 -4.621 4.534 9.029
219 H3* C 21 H3* C 21 -4.783 2.685 6.607
220 H2* C 21 H2* C 21 -6.922 3.695 6.210
221 2HO* C 21 2HO* C 21 -7.249 3.820 8.614
222 H1* C 21 H1* C 21 -5.996 6.256 6.552
223 1H4 C 21 1H4 C 21 -5.380 5.706 0.360
224 2H4 C 21 2H4 C 21 -3.717 5.168 0.513
225 H5 C 21 H5 C 21 -2.737 4.560 2.761
226 H6 C 21 H6 C 21 -3.172 4.510 5.110
227 1H5* C 22 1H5* C 22 -8.508 2.196 8.655
228 2H5* C 22 2H5* C 22 -9.075 0.516 8.535
229 H4* C 22 H4* C 22 -10.609 2.200 7.457
230 H3* C 22 H3* C 22 -9.331 0.115 5.648
231 H2* C 22 H2* C 22 -10.670 1.000 3.894
232 2HO* C 22 2HO* C 22 -12.438 1.294 5.579
233 H1* C 22 H1* C 22 -10.302 3.651 4.603
234 1H4 C 22 1H4 C 22 -6.475 2.753 -0.313
235 2H4 C 22 2H4 C 22 -5.174 2.141 0.683
236 H5 C 22 H5 C 22 -5.469 1.852 3.197
237 H6 C 22 H6 C 22 -7.055 1.977 4.989
238 1H5* U 23 1H5* U 23 -13.410 -0.146 4.540
239 2H5* U 23 2H5* U 23 -13.819 -1.836 4.210
240 H4* U 23 H4* U 23 -14.089 -0.333 2.243
241 H3* U 23 H3* U 23 -11.991 -2.508 1.988
242 H2* U 23 H2* U 23 -11.837 -1.845 -0.345
243 2HO* U 23 2HO* U 23 -14.198 -1.475 -0.410
244 H1* U 23 H1* U 23 -11.857 0.839 0.200
245 H3 U 23 H3 U 23 -7.624 0.051 -1.204
246 H5 U 23 H5 U 23 -7.679 -1.393 2.754
247 H6 U 23 H6 U 23 -10.053 -1.020 2.805
248 1H5* U 24 1H5* U 24 -14.952 -2.771 -1.360
249 2H5* U 24 2H5* U 24 -15.073 -4.443 -1.923
250 H4* U 24 H4* U 24 -14.400 -2.721 -3.674
251 H3* U 24 H3* U 24 -12.534 -5.048 -3.125
252 H2* U 24 H2* U 24 -11.302 -4.264 -5.067
253 2HO* U 24 2HO* U 24 -13.445 -3.688 -6.072
254 H1* U 24 H1* U 24 -11.451 -1.604 -4.339
255 H3 U 24 H3 U 24 -7.060 -2.701 -3.861
256 H5 U 24 H5 U 24 -8.892 -4.364 -0.478
257 H6 U 24 H6 U 24 -11.062 -3.850 -1.436
258 1H5* U 25 1H5* U 25 -13.279 -5.024 -7.408
259 2H5* U 25 2H5* U 25 -13.340 -6.687 -8.007
260 H4* U 25 H4* U 25 -11.597 -5.284 -9.112
261 H3* U 25 H3* U 25 -10.572 -7.668 -7.517
262 H2* U 25 H2* U 25 -8.443 -7.184 -8.457
263 2HO* U 25 2HO* U 25 -9.557 -6.609 -10.532
264 H1* U 25 H1* U 25 -8.632 -4.463 -8.065
265 H3 U 25 H3 U 25 -5.510 -5.866 -5.042
266 H5 U 25 H5 U 25 -9.185 -6.730 -3.228
267 H6 U 25 H6 U 25 -10.291 -6.211 -5.305
268 1H5* G 26 1H5* G 26 -9.239 -8.491 -11.480
269 2H5* G 26 2H5* G 26 -9.261 -10.240 -11.783
270 H4* G 26 H4* G 26 -6.968 -9.205 -11.876
271 H3* G 26 H3* G 26 -7.463 -11.240 -9.684
272 H2* G 26 H2* G 26 -5.105 -11.115 -9.247
273 2HO* G 26 2HO* G 26 -3.701 -10.481 -10.673
274 H1* G 26 H1* G 26 -5.057 -8.344 -9.416
275 H8 G 26 H8 G 26 -8.185 -9.160 -7.497
276 H1 G 26 H1 G 26 -2.759 -10.082 -4.158
277 1H2 G 26 1H2 G 26 -0.978 -10.114 -5.615
278 2H2 G 26 2H2 G 26 -1.231 -9.799 -7.322
279 1H5* U 27 1H5* U 27 -4.026 -12.459 -12.162
280 2H5* U 27 2H5* U 27 -3.925 -14.224 -12.276
281 H4* U 27 H4* U 27 -1.827 -13.138 -11.473
282 H3* U 27 H3* U 27 -3.153 -14.992 -9.459
283 H2* U 27 H2* U 27 -1.130 -14.754 -8.221
284 2HO* U 27 2HO* U 27 0.273 -14.686 -10.074
285 H1* U 27 H1* U 27 -1.119 -12.045 -8.422
286 H3 U 27 H3 U 27 -2.425 -13.222 -4.158
287 H5 U 27 H5 U 27 -5.936 -13.341 -6.491
288 H6 U 27 H6 U 27 -4.592 -13.072 -8.450
289 1H5* G 28 1H5* G 28 0.903 -16.603 -10.430
290 2H5* G 28 2H5* G 28 1.053 -18.299 -9.940
291 H4* G 28 H4* G 28 2.553 -16.514 -8.820
292 H3* G 28 H3* G 28 1.077 -18.479 -7.092
293 H2* G 28 H2* G 28 2.238 -17.405 -5.233
294 2HO* G 28 2HO* G 28 4.126 -17.080 -6.789
295 H1* G 28 H1* G 28 1.616 -14.865 -6.027
296 H8 G 28 H8 G 28 -1.491 -16.565 -7.096
297 H1 G 28 H1 G 28 -1.043 -16.180 -0.702
298 1H2 G 28 1H2 G 28 1.113 -15.830 -0.096
299 2H2 G 28 2H2 G 28 2.352 -15.541 -1.302
300 1H5* U 29 1H5* U 29 4.946 -18.521 -5.649
301 2H5* U 29 2H5* U 29 5.561 -20.155 -5.349
302 H4* U 29 H4* U 29 5.548 -18.776 -3.309
303 H3* U 29 H3* U 29 3.619 -21.128 -3.282
304 H2* U 29 H2* U 29 3.203 -20.619 -1.004
305 2HO* U 29 2HO* U 29 5.545 -19.969 -0.789
306 H1* U 29 H1* U 29 2.888 -17.943 -1.411
307 H3 U 29 H3 U 29 -1.406 -19.605 -0.869
308 H5 U 29 H5 U 29 -0.557 -19.711 -4.987
309 H6 U 29 H6 U 29 1.696 -19.272 -4.513
310 1H5* C 30 1H5* C 30 6.250 -21.569 -0.046
311 2H5* C 30 2H5* C 30 6.662 -23.264 0.273
312 H4* C 30 H4* C 30 5.564 -22.084 2.187
313 H3* C 30 H3* C 30 4.086 -24.438 0.942
314 H2* C 30 H2* C 30 2.470 -24.239 2.670
315 2HO* C 30 2HO* C 30 2.872 -22.974 4.528
316 H1* C 30 H1* C 30 2.585 -21.422 2.784
317 1H4 C 30 1H4 C 30 -2.891 -22.450 -0.107
318 2H4 C 30 2H4 C 30 -2.130 -22.547 -1.683
319 H5 C 30 H5 C 30 0.403 -22.752 -1.900
320 H6 C 30 H6 C 30 2.460 -22.652 -0.661
321 H3T C 30 HE C 30 5.250 -24.323 3.478
Start of MODEL 11
1 1H5* G 1 1H5* G 1 -11.021 -22.849 6.576
2 2H5* G 1 2H5* G 1 -10.161 -23.690 5.276
3 H4* G 1 H4* G 1 -9.081 -23.463 7.961
4 H3* G 1 H3* G 1 -8.611 -21.739 5.544
5 H2* G 1 H2* G 1 -6.355 -21.420 6.371
6 2HO* G 1 2HO* G 1 -7.239 -21.465 8.640
7 H1* G 1 H1* G 1 -5.940 -24.051 6.886
8 H8 G 1 H8 G 1 -8.128 -24.025 3.796
9 H1 G 1 H1 G 1 -2.084 -22.190 2.604
10 1H2 G 1 1H2 G 1 -0.999 -21.847 4.584
11 2H2 G 1 2H2 G 1 -1.803 -22.143 6.121
12 1H5* G 2 1H5* G 2 -6.833 -19.678 8.826
13 2H5* G 2 2H5* G 2 -7.080 -17.935 8.672
14 H4* G 2 H4* G 2 -4.647 -18.645 8.769
15 H3* G 2 H3* G 2 -5.569 -17.214 6.261
16 H2* G 2 H2* G 2 -3.244 -17.080 5.782
17 2HO* G 2 2HO* G 2 -2.751 -16.709 8.106
18 H1* G 2 H1* G 2 -2.711 -19.687 6.524
19 H8 G 2 H8 G 2 -5.933 -19.826 4.597
20 H1 G 2 H1 G 2 -0.831 -18.421 0.888
21 1H2 G 2 1H2 G 2 0.961 -18.113 2.175
22 2H2 G 2 2H2 G 2 0.873 -18.231 3.928
23 1H5* C 3 1H5* C 3 -2.558 -14.981 8.325
24 2H5* C 3 2H5* C 3 -2.547 -13.250 7.976
25 H4* C 3 H4* C 3 -0.530 -14.714 7.289
26 H3* C 3 H3* C 3 -1.868 -12.838 5.284
27 H2* C 3 H2* C 3 -0.092 -13.366 3.773
28 2HO* C 3 2HO* C 3 1.462 -13.364 5.605
29 H1* C 3 H1* C 3 -0.164 -16.049 4.288
30 1H4 C 3 1H4 C 3 -3.948 -15.684 -0.763
31 2H4 C 3 2H4 C 3 -5.342 -15.463 0.269
32 H5 C 3 H5 C 3 -5.137 -15.122 2.728
33 H6 C 3 H6 C 3 -3.596 -14.980 4.540
34 1H5* A 4 1H5* A 4 2.165 -11.414 5.595
35 2H5* A 4 2H5* A 4 2.249 -9.661 5.337
36 H4* A 4 H4* A 4 3.478 -11.068 3.639
37 H3* A 4 H3* A 4 1.234 -9.280 2.645
38 H2* A 4 H2* A 4 1.882 -9.922 0.431
39 2HO* A 4 2HO* A 4 4.185 -9.847 1.083
40 H1* A 4 H1* A 4 2.165 -12.588 1.028
41 H8 A 4 H8 A 4 -0.877 -11.387 2.942
42 1H6 A 4 1H6 A 4 -4.016 -12.760 -2.231
43 2H6 A 4 2H6 A 4 -4.118 -12.402 -0.514
44 H2 A 4 H2 A 4 0.339 -12.575 -3.262
45 1H5* C 5 1H5* C 5 4.810 -7.921 0.422
46 2H5* C 5 2H5* C 5 4.629 -6.203 0.009
47 H4* C 5 H4* C 5 4.711 -7.783 -1.972
48 H3* C 5 H3* C 5 2.183 -6.141 -1.608
49 H2* C 5 H2* C 5 1.485 -7.075 -3.716
50 2HO* C 5 2HO* C 5 3.824 -6.953 -4.429
51 H1* C 5 H1* C 5 2.273 -9.638 -3.116
52 1H4 C 5 1H4 C 5 -3.953 -9.367 -1.901
53 2H4 C 5 2H4 C 5 -3.677 -8.708 -0.301
54 H5 C 5 H5 C 5 -1.383 -8.070 0.493
55 H6 C 5 H6 C 5 0.927 -7.957 -0.143
56 1H5* U 6 1H5* U 6 3.016 -5.569 -5.678
57 2H5* U 6 2H5* U 6 2.639 -3.941 -6.240
58 H4* U 6 H4* U 6 1.348 -5.800 -7.358
59 H3* U 6 H3* U 6 -0.211 -3.657 -5.907
60 H2* U 6 H2* U 6 -2.236 -4.751 -6.577
61 2HO* U 6 2HO* U 6 -1.171 -5.234 -8.690
62 H1* U 6 H1* U 6 -1.401 -7.280 -6.051
63 H3 U 6 H3 U 6 -4.578 -6.199 -2.935
64 H5 U 6 H5 U 6 -0.872 -5.150 -1.247
65 H6 U 6 H6 U 6 0.132 -5.410 -3.393
66 1H5* C 7 1H5* C 7 -0.864 -2.738 -10.275
67 2H5* C 7 2H5* C 7 -1.125 -1.017 -10.614
68 H4* C 7 H4* C 7 -3.278 -2.350 -10.284
69 H3* C 7 H3* C 7 -2.656 -0.135 -8.302
70 H2* C 7 H2* C 7 -4.821 -0.514 -7.425
71 2HO* C 7 2HO* C 7 -5.980 -0.556 -9.355
72 H1* C 7 H1* C 7 -4.774 -3.302 -8.018
73 1H4 C 7 1H4 C 7 -4.663 -2.957 -1.728
74 2H4 C 7 2H4 C 7 -2.925 -2.711 -1.655
75 H5 C 7 H5 C 7 -1.578 -2.401 -3.838
76 H6 C 7 H6 C 7 -1.818 -2.203 -6.212
77 1H5* U 8 1H5* U 8 -6.479 0.318 -11.015
78 2H5* U 8 2H5* U 8 -6.742 2.060 -11.220
79 H4* U 8 H4* U 8 -8.827 0.824 -10.612
80 H3* U 8 H3* U 8 -7.781 2.880 -8.640
81 H2* U 8 H2* U 8 -9.840 2.548 -7.439
82 2HO* U 8 2HO* U 8 -10.959 2.369 -9.584
83 H1* U 8 H1* U 8 -9.842 -0.201 -7.724
84 H3 U 8 H3 U 8 -9.146 0.416 -3.255
85 H5 U 8 H5 U 8 -5.370 0.939 -5.045
86 H6 U 8 H6 U 8 -6.440 1.008 -7.197
87 1H5* G 9 1H5* G 9 -11.866 4.189 -9.483
88 2H5* G 9 2H5* G 9 -11.913 5.958 -9.367
89 H4* G 9 H4* G 9 -13.378 4.817 -7.697
90 H3* G 9 H3* G 9 -11.046 6.397 -6.571
91 H2* G 9 H2* G 9 -12.015 5.952 -4.393
92 2HO* G 9 2HO* G 9 -14.213 6.162 -5.354
93 H1* G 9 H1* G 9 -12.450 3.298 -4.897
94 H8 G 9 H8 G 9 -9.134 4.435 -6.498
95 H1 G 9 H1 G 9 -8.807 3.188 -0.199
96 1H2 G 9 1H2 G 9 -10.914 3.100 0.657
97 2H2 G 9 2H2 G 9 -12.304 3.104 -0.422
98 1H5* G 10 1H5* G 10 -14.770 7.763 -4.627
99 2H5* G 10 2H5* G 10 -14.624 9.464 -4.165
100 H4* G 10 H4* G 10 -15.099 7.840 -2.270
101 H3* G 10 H3* G 10 -12.614 9.567 -2.145
102 H2* G 10 H2* G 10 -12.314 8.695 0.095
103 2HO* G 10 2HO* G 10 -14.726 8.756 0.355
104 H1* G 10 H1* G 10 -12.872 6.100 -0.584
105 H8 G 10 H8 G 10 -10.794 7.515 -3.428
106 H1 G 10 H1 G 10 -7.381 6.062 1.827
107 1H2 G 10 1H2 G 10 -8.784 5.912 3.613
108 2H2 G 10 2H2 G 10 -10.530 5.959 3.393
109 1H5* U 11 1H5* U 11 -14.785 10.191 1.644
110 2H5* U 11 2H5* U 11 -14.549 11.865 2.178
111 H4* U 11 H4* U 11 -13.691 10.135 3.816
112 H3* U 11 H3* U 11 -11.630 12.036 2.688
113 H2* U 11 H2* U 11 -10.165 11.019 4.308
114 2HO* U 11 2HO* U 11 -11.841 10.889 5.927
115 H1* U 11 H1* U 11 -10.910 8.459 3.729
116 H3 U 11 H3 U 11 -6.662 9.279 2.251
117 H5 U 11 H5 U 11 -9.185 10.644 -0.841
118 H6 U 11 H6 U 11 -11.049 10.374 0.631
119 1H5* A 12 1H5* A 12 -13.078 13.646 6.802
120 2H5* A 12 2H5* A 12 -12.443 15.252 7.174
121 H4* A 12 H4* A 12 -11.167 13.275 8.142
122 H3* A 12 H3* A 12 -9.700 15.282 6.444
123 H2* A 12 H2* A 12 -7.705 14.121 7.068
124 2HO* A 12 2HO* A 12 -8.296 13.857 9.281
125 H1* A 12 H1* A 12 -8.793 11.583 6.732
126 H8 A 12 H8 A 12 -10.053 13.817 4.006
127 1H6 A 12 1H6 A 12 -4.822 12.565 0.955
128 2H6 A 12 2H6 A 12 -6.463 13.186 0.858
129 H2 A 12 H2 A 12 -4.205 11.466 5.264
130 1H5* U 13 1H5* U 13 -6.611 17.015 10.715
131 2H5* U 13 2H5* U 13 -6.563 17.401 8.997
132 H4* U 13 H4* U 13 -5.150 15.170 10.469
133 H3* U 13 H3* U 13 -4.549 17.365 8.468
134 H2* U 13 H2* U 13 -2.783 16.161 7.497
135 2HO* U 13 2HO* U 13 -2.336 15.337 9.825
136 H1* U 13 H1* U 13 -4.112 13.765 7.392
137 H3 U 13 H3 U 13 -4.195 15.212 3.061
138 H5 U 13 H5 U 13 -7.656 16.737 4.946
139 H6 U 13 H6 U 13 -6.608 16.303 7.062
140 1H5* C 14 1H5* C 14 -0.969 17.108 9.544
141 2H5* C 14 2H5* C 14 -0.285 18.676 10.018
142 H4* C 14 H4* C 14 0.964 17.921 8.142
143 H3* C 14 H3* C 14 -1.129 19.871 7.128
144 H2* C 14 H2* C 14 0.154 19.753 5.030
145 2HO* C 14 2HO* C 14 2.150 19.440 6.457
146 H1* C 14 H1* C 14 0.129 17.025 5.095
147 1H4 C 14 1H4 C 14 -5.134 19.016 2.023
148 2H4 C 14 2H4 C 14 -5.987 19.278 3.528
149 H5 C 14 H5 C 14 -4.881 18.901 5.753
150 H6 C 14 H6 C 14 -2.814 18.336 6.808
151 1H5* A 15 1H5* A 15 0.144 22.801 5.061
152 2H5* A 15 2H5* A 15 1.340 21.483 5.147
153 H4* A 15 H4* A 15 1.670 24.371 4.350
154 H3* A 15 H3* A 15 1.192 22.251 2.757
155 H2* A 15 H2* A 15 2.785 20.756 3.620
156 2HO* A 15 2HO* A 15 3.732 22.253 1.474
157 H1* A 15 H1* A 15 4.915 22.866 3.627
158 H8 A 15 H8 A 15 4.004 19.490 4.812
159 1H6 A 15 1H6 A 15 8.352 20.046 9.170
160 2H6 A 15 2H6 A 15 7.237 18.960 8.347
161 H2 A 15 H2 A 15 7.731 24.078 7.355
162 1H5* C 16 1H5* C 16 1.602 21.518 0.105
163 2H5* C 16 2H5* C 16 1.948 22.793 -1.023
164 H4* C 16 H4* C 16 0.685 21.184 -2.112
165 H3* C 16 H3* C 16 -0.340 23.695 -2.325
166 H2* C 16 H2* C 16 -1.608 23.678 -0.333
167 2HO* C 16 2HO* C 16 -3.846 23.161 -0.950
168 H1* C 16 H1* C 16 -2.778 21.010 -0.944
169 1H4 C 16 1H4 C 16 -3.975 22.459 5.276
170 2H4 C 16 2H4 C 16 -2.323 22.066 5.710
171 H5 C 16 H5 C 16 -0.691 21.322 3.959
172 H6 C 16 H6 C 16 -0.301 21.047 1.641
173 1H5* G 17 1H5* G 17 0.433 19.666 -5.351
174 2H5* G 17 2H5* G 17 0.276 19.797 -3.602
175 H4* G 17 H4* G 17 2.880 20.042 -5.191
176 H3* G 17 H3* G 17 1.759 17.880 -3.360
177 H2* G 17 H2* G 17 3.960 17.411 -2.707
178 2HO* G 17 2HO* G 17 4.448 17.629 -5.172
179 H1* G 17 H1* G 17 4.906 20.085 -3.136
180 H8 G 17 H8 G 17 6.215 19.577 -0.972
181 H1 G 17 H1 G 17 0.891 18.029 2.263
182 1H2 G 17 1H2 G 17 -0.831 17.921 0.911
183 2H2 G 17 2H2 G 17 -0.688 18.355 -0.787
184 1H5* G 18 1H5* G 18 4.134 15.542 -4.143
185 2H5* G 18 2H5* G 18 3.604 13.865 -4.324
186 H4* G 18 H4* G 18 4.721 14.663 -2.081
187 H3* G 18 H3* G 18 2.188 13.014 -2.174
188 H2* G 18 H2* G 18 2.295 12.952 0.227
189 2HO* G 18 2HO* G 18 4.749 12.851 -0.006
190 H1* G 18 H1* G 18 2.911 15.609 0.541
191 H8 G 18 H8 G 18 0.380 15.197 -2.270
192 H1 G 18 H1 G 18 -2.189 14.589 3.599
193 1H2 G 18 1H2 G 18 -0.544 14.335 5.113
194 2H2 G 18 2H2 G 18 1.147 14.452 4.652
195 1H5* U 19 1H5* U 19 4.871 11.143 0.697
196 2H5* U 19 2H5* U 19 4.673 9.390 0.691
197 H4* U 19 H4* U 19 4.204 10.570 2.886
198 H3* U 19 H3* U 19 2.022 8.833 1.679
199 H2* U 19 H2* U 19 0.853 9.199 3.762
200 2HO* U 19 2HO* U 19 2.859 9.077 4.995
201 H1* U 19 H1* U 19 1.318 11.879 3.837
202 H3 U 19 H3 U 19 -3.108 11.573 2.663
203 H5 U 19 H5 U 19 -0.955 11.240 -0.938
204 H6 U 19 H6 U 19 1.047 10.991 0.324
205 1H5* A 20 1H5* A 20 3.162 7.098 5.526
206 2H5* A 20 2H5* A 20 2.885 5.345 5.555
207 H4* A 20 H4* A 20 1.511 6.612 7.207
208 H3* A 20 H3* A 20 -0.123 5.176 5.050
209 H2* A 20 H2* A 20 -1.993 5.836 6.278
210 2HO* A 20 2HO* A 20 -1.906 6.817 8.248
211 H1* A 20 H1* A 20 -1.335 8.301 6.539
212 H8 A 20 H8 A 20 0.121 7.237 3.126
213 1H6 A 20 1H6 A 20 -5.256 9.024 0.732
214 2H6 A 20 2H6 A 20 -3.624 8.469 0.453
215 H2 A 20 H2 A 20 -5.717 8.920 5.238
216 1H5* C 21 1H5* C 21 -1.861 4.534 8.507
217 2H5* C 21 2H5* C 21 -2.374 2.956 8.812
218 H4* C 21 H4* C 21 -4.257 4.491 8.958
219 H3* C 21 H3* C 21 -4.450 2.615 6.564
220 H2* C 21 H2* C 21 -6.591 3.585 6.159
221 2HO* C 21 2HO* C 21 -6.924 3.730 8.558
222 H1* C 21 H1* C 21 -5.738 6.168 6.484
223 1H4 C 21 1H4 C 21 -5.220 5.606 0.281
224 2H4 C 21 2H4 C 21 -3.554 5.069 0.402
225 H5 C 21 H5 C 21 -2.524 4.477 2.630
226 H6 C 21 H6 C 21 -2.904 4.437 4.987
227 1H5* C 22 1H5* C 22 -8.123 2.081 8.723
228 2H5* C 22 2H5* C 22 -8.670 0.394 8.620
229 H4* C 22 H4* C 22 -10.235 2.065 7.529
230 H3* C 22 H3* C 22 -8.932 -0.030 5.760
231 H2* C 22 H2* C 22 -10.244 0.785 3.991
232 2HO* C 22 2HO* C 22 -11.985 2.081 4.230
233 H1* C 22 H1* C 22 -9.970 3.475 4.705
234 1H4 C 22 1H4 C 22 -6.328 2.627 -0.372
235 2H4 C 22 2H4 C 22 -4.999 2.000 0.573
236 H5 C 22 H5 C 22 -5.186 1.726 3.098
237 H6 C 22 H6 C 22 -6.702 1.834 4.952
238 1H5* U 23 1H5* U 23 -13.016 -0.284 4.776
239 2H5* U 23 2H5* U 23 -13.472 -1.956 4.418
240 H4* U 23 H4* U 23 -13.793 -0.400 2.498
241 H3* U 23 H3* U 23 -11.755 -2.614 2.128
242 H2* U 23 H2* U 23 -11.668 -1.921 -0.199
243 2HO* U 23 2HO* U 23 -14.023 -1.490 -0.165
244 H1* U 23 H1* U 23 -11.600 0.754 0.381
245 H3 U 23 H3 U 23 -7.433 -0.084 -1.173
246 H5 U 23 H5 U 23 -7.381 -1.572 2.770
247 H6 U 23 H6 U 23 -9.750 -1.190 2.894
248 1H5* U 24 1H5* U 24 -14.809 -2.756 -1.101
249 2H5* U 24 2H5* U 24 -15.035 -4.430 -1.625
250 H4* U 24 H4* U 24 -14.362 -2.835 -3.460
251 H3* U 24 H3* U 24 -12.498 -5.146 -2.826
252 H2* U 24 H2* U 24 -11.337 -4.507 -4.854
253 2HO* U 24 2HO* U 24 -13.492 -3.995 -5.840
254 H1* U 24 H1* U 24 -11.444 -1.798 -4.290
255 H3 U 24 H3 U 24 -7.036 -2.824 -3.882
256 H5 U 24 H5 U 24 -8.752 -4.325 -0.366
257 H6 U 24 H6 U 24 -10.955 -3.891 -1.289
258 1H5* U 25 1H5* U 25 -13.503 -5.516 -7.018
259 2H5* U 25 2H5* U 25 -13.564 -7.229 -7.463
260 H4* U 25 H4* U 25 -11.896 -5.921 -8.770
261 H3* U 25 H3* U 25 -10.729 -8.096 -6.986
262 H2* U 25 H2* U 25 -8.674 -7.653 -8.101
263 2HO* U 25 2HO* U 25 -9.676 -7.379 -10.188
264 H1* U 25 H1* U 25 -8.931 -4.921 -7.962
265 H3 U 25 H3 U 25 -5.580 -5.950 -5.037
266 H5 U 25 H5 U 25 -9.094 -6.802 -2.925
267 H6 U 25 H6 U 25 -10.357 -6.476 -4.961
268 1H5* G 26 1H5* G 26 -9.773 -9.130 -11.028
269 2H5* G 26 2H5* G 26 -9.607 -10.884 -11.239
270 H4* G 26 H4* G 26 -7.515 -9.540 -11.681
271 H3* G 26 H3* G 26 -7.455 -11.610 -9.465
272 H2* G 26 H2* G 26 -5.081 -11.150 -9.298
273 2HO* G 26 2HO* G 26 -5.055 -10.865 -11.719
274 H1* G 26 H1* G 26 -5.391 -8.424 -9.381
275 H8 G 26 H8 G 26 -8.314 -9.598 -7.288
276 H1 G 26 H1 G 26 -2.677 -9.799 -4.198
277 1H2 G 26 1H2 G 26 -0.975 -9.737 -5.731
278 2H2 G 26 2H2 G 26 -1.321 -9.499 -7.437
279 1H5* U 27 1H5* U 27 -4.095 -12.493 -12.114
280 2H5* U 27 2H5* U 27 -3.854 -14.244 -12.217
281 H4* U 27 H4* U 27 -1.856 -12.972 -11.406
282 H3* U 27 H3* U 27 -3.046 -14.948 -9.423
283 H2* U 27 H2* U 27 -1.070 -14.528 -8.145
284 2HO* U 27 2HO* U 27 0.319 -14.369 -10.028
285 H1* U 27 H1* U 27 -1.243 -11.820 -8.403
286 H3 U 27 H3 U 27 -2.358 -12.966 -4.097
287 H5 U 27 H5 U 27 -5.914 -13.371 -6.313
288 H6 U 27 H6 U 27 -4.639 -13.092 -8.331
289 1H5* G 28 1H5* G 28 1.170 -16.188 -10.257
290 2H5* G 28 2H5* G 28 1.430 -17.872 -9.772
291 H4* G 28 H4* G 28 2.742 -16.008 -8.572
292 H3* G 28 H3* G 28 1.311 -18.075 -6.925
293 H2* G 28 H2* G 28 2.293 -16.934 -5.001
294 2HO* G 28 2HO* G 28 4.229 -16.470 -6.477
295 H1* G 28 H1* G 28 1.549 -14.446 -5.801
296 H8 G 28 H8 G 28 -1.352 -16.371 -7.100
297 H1 G 28 H1 G 28 -1.454 -15.846 -0.704
298 1H2 G 28 1H2 G 28 0.629 -15.338 0.065
299 2H2 G 28 2H2 G 28 1.940 -15.022 -1.058
300 1H5* U 29 1H5* U 29 5.109 -17.811 -5.310
301 2H5* U 29 2H5* U 29 5.830 -19.387 -4.945
302 H4* U 29 H4* U 29 5.615 -17.972 -2.941
303 H3* U 29 H3* U 29 3.886 -20.470 -2.956
304 H2* U 29 H2* U 29 3.315 -19.962 -0.708
305 2HO* U 29 2HO* U 29 5.592 -19.115 -0.411
306 H1* U 29 H1* U 29 2.813 -17.325 -1.176
307 H3 U 29 H3 U 29 -1.364 -19.314 -0.806
308 H5 U 29 H5 U 29 -0.310 -19.412 -4.874
309 H6 U 29 H6 U 29 1.884 -18.818 -4.292
310 1H5* C 30 1H5* C 30 6.354 -20.652 0.410
311 2H5* C 30 2H5* C 30 6.875 -22.305 0.777
312 H4* C 30 H4* C 30 5.604 -21.242 2.617
313 H3* C 30 H3* C 30 4.246 -23.608 1.263
314 H2* C 30 H2* C 30 2.603 -23.507 3.002
315 2HO* C 30 2HO* C 30 4.569 -22.884 4.472
316 H1* C 30 H1* C 30 2.549 -20.711 3.069
317 1H4 C 30 1H4 C 30 -2.630 -22.225 -0.201
318 2H4 C 30 2H4 C 30 -1.748 -22.359 -1.711
319 H5 C 30 H5 C 30 0.790 -22.374 -1.729
320 H6 C 30 H6 C 30 2.743 -22.058 -0.356
321 H3T C 30 HE C 30 5.217 -24.756 2.881
Start of MODEL 12
1 1H5* G 1 1H5* G 1 -10.134 -22.066 9.052
2 2H5* G 1 2H5* G 1 -10.241 -20.320 9.333
3 H4* G 1 H4* G 1 -8.096 -21.120 10.133
4 H3* G 1 H3* G 1 -7.835 -19.552 7.555
5 H2* G 1 H2* G 1 -5.468 -19.669 7.912
6 2HO* G 1 2HO* G 1 -5.869 -19.454 10.306
7 H1* G 1 H1* G 1 -5.469 -22.309 8.573
8 H8 G 1 H8 G 1 -8.062 -21.921 5.829
9 H1 G 1 H1 G 1 -2.005 -21.692 3.682
10 1H2 G 1 1H2 G 1 -0.592 -21.482 5.460
11 2H2 G 1 2H2 G 1 -1.202 -21.458 7.109
12 1H5* G 2 1H5* G 2 -5.146 -17.741 10.301
13 2H5* G 2 2H5* G 2 -5.078 -15.995 10.033
14 H4* G 2 H4* G 2 -2.853 -17.184 9.742
15 H3* G 2 H3* G 2 -3.967 -15.775 7.302
16 H2* G 2 H2* G 2 -1.779 -16.166 6.416
17 2HO* G 2 2HO* G 2 -0.756 -15.724 8.520
18 H1* G 2 H1* G 2 -1.630 -18.762 7.372
19 H8 G 2 H8 G 2 -5.097 -18.307 5.950
20 H1 G 2 H1 G 2 -0.484 -18.502 1.447
21 1H2 G 2 1H2 G 2 1.515 -18.425 2.421
22 2H2 G 2 2H2 G 2 1.692 -18.387 4.171
23 1H5* C 3 1H5* C 3 -0.198 -14.090 8.589
24 2H5* C 3 2H5* C 3 0.067 -12.433 8.059
25 H4* C 3 H4* C 3 1.649 -14.344 7.234
26 H3* C 3 H3* C 3 0.384 -12.371 5.284
27 H2* C 3 H2* C 3 1.565 -13.431 3.504
28 2HO* C 3 2HO* C 3 3.435 -13.685 5.054
29 H1* C 3 H1* C 3 1.115 -15.995 4.384
30 1H4 C 3 1H4 C 3 -3.385 -15.374 0.023
31 2H4 C 3 2H4 C 3 -4.500 -14.741 1.213
32 H5 C 3 H5 C 3 -3.768 -14.115 3.530
33 H6 C 3 H6 C 3 -1.894 -14.095 5.028
34 1H5* A 4 1H5* A 4 2.078 -8.353 4.982
35 2H5* A 4 2H5* A 4 0.440 -8.731 4.440
36 H4* A 4 H4* A 4 2.982 -10.281 3.744
37 H3* A 4 H3* A 4 1.053 -8.516 2.185
38 H2* A 4 H2* A 4 1.641 -9.763 0.239
39 2HO* A 4 2HO* A 4 3.938 -9.712 1.122
40 H1* A 4 H1* A 4 1.808 -12.215 1.593
41 H8 A 4 H8 A 4 -1.350 -10.971 2.920
42 1H6 A 4 1H6 A 4 -4.176 -12.757 -2.259
43 2H6 A 4 2H6 A 4 -4.328 -12.199 -0.603
44 H2 A 4 H2 A 4 0.272 -12.756 -3.049
45 1H5* C 5 1H5* C 5 4.601 -7.858 -0.181
46 2H5* C 5 2H5* C 5 4.553 -6.192 -0.794
47 H4* C 5 H4* C 5 4.410 -7.926 -2.601
48 H3* C 5 H3* C 5 1.937 -6.209 -2.226
49 H2* C 5 H2* C 5 1.097 -7.276 -4.190
50 2HO* C 5 2HO* C 5 2.314 -8.462 -5.557
51 H1* C 5 H1* C 5 1.963 -9.802 -3.444
52 1H4 C 5 1H4 C 5 -4.258 -9.273 -2.209
53 2H4 C 5 2H4 C 5 -3.962 -8.419 -0.711
54 H5 C 5 H5 C 5 -1.638 -7.814 0.039
55 H6 C 5 H6 C 5 0.681 -7.836 -0.612
56 1H5* U 6 1H5* U 6 2.715 -5.896 -6.300
57 2H5* U 6 2H5* U 6 2.379 -4.307 -6.993
58 H4* U 6 H4* U 6 1.054 -6.213 -7.982
59 H3* U 6 H3* U 6 -0.480 -3.942 -6.702
60 H2* U 6 H2* U 6 -2.515 -5.042 -7.284
61 2HO* U 6 2HO* U 6 -1.450 -5.709 -9.354
62 H1* U 6 H1* U 6 -1.722 -7.546 -6.579
63 H3 U 6 H3 U 6 -4.888 -6.214 -3.562
64 H5 U 6 H5 U 6 -1.167 -5.155 -1.910
65 H6 U 6 H6 U 6 -0.157 -5.550 -4.031
66 1H5* C 7 1H5* C 7 -1.295 -3.269 -11.038
67 2H5* C 7 2H5* C 7 -1.429 -1.552 -11.469
68 H4* C 7 H4* C 7 -3.676 -2.704 -11.060
69 H3* C 7 H3* C 7 -2.875 -0.462 -9.174
70 H2* C 7 H2* C 7 -5.027 -0.671 -8.228
71 2HO* C 7 2HO* C 7 -6.237 -0.686 -10.129
72 H1* C 7 H1* C 7 -5.179 -3.476 -8.729
73 1H4 C 7 1H4 C 7 -4.913 -2.883 -2.467
74 2H4 C 7 2H4 C 7 -3.162 -2.732 -2.430
75 H5 C 7 H5 C 7 -1.840 -2.577 -4.648
76 H6 C 7 H6 C 7 -2.111 -2.493 -7.031
77 1H5* U 8 1H5* U 8 -6.785 0.245 -11.788
78 2H5* U 8 2H5* U 8 -6.904 2.004 -11.976
79 H4* U 8 H4* U 8 -9.059 0.952 -11.287
80 H3* U 8 H3* U 8 -7.782 2.871 -9.310
81 H2* U 8 H2* U 8 -9.841 2.680 -8.068
82 2HO* U 8 2HO* U 8 -11.051 2.652 -10.140
83 H1* U 8 H1* U 8 -10.050 -0.052 -8.398
84 H3 U 8 H3 U 8 -9.208 0.479 -3.942
85 H5 U 8 H5 U 8 -5.447 0.788 -5.817
86 H6 U 8 H6 U 8 -6.563 0.917 -7.947
87 1H5* G 9 1H5* G 9 -11.842 4.495 -10.056
88 2H5* G 9 2H5* G 9 -11.773 6.251 -9.823
89 H4* G 9 H4* G 9 -13.323 5.056 -8.245
90 H3* G 9 H3* G 9 -10.971 6.518 -7.010
91 H2* G 9 H2* G 9 -11.991 5.988 -4.867
92 2HO* G 9 2HO* G 9 -14.168 6.285 -5.860
93 H1* G 9 H1* G 9 -12.455 3.374 -5.504
94 H8 G 9 H8 G 9 -9.104 4.461 -7.044
95 H1 G 9 H1 G 9 -8.871 3.170 -0.751
96 1H2 G 9 1H2 G 9 -10.992 3.133 0.083
97 2H2 G 9 2H2 G 9 -12.367 3.177 -1.010
98 1H5* G 10 1H5* G 10 -14.706 7.839 -5.031
99 2H5* G 10 2H5* G 10 -14.545 9.515 -4.491
100 H4* G 10 H4* G 10 -15.089 7.805 -2.689
101 H3* G 10 H3* G 10 -12.601 9.510 -2.402
102 H2* G 10 H2* G 10 -12.383 8.530 -0.193
103 2HO* G 10 2HO* G 10 -14.810 8.576 -0.032
104 H1* G 10 H1* G 10 -12.893 5.975 -1.026
105 H8 G 10 H8 G 10 -10.783 7.467 -3.784
106 H1 G 10 H1 G 10 -7.447 5.961 1.504
107 1H2 G 10 1H2 G 10 -8.883 5.749 3.258
108 2H2 G 10 2H2 G 10 -10.626 5.789 3.007
109 1H5* U 11 1H5* U 11 -14.848 9.923 1.375
110 2H5* U 11 2H5* U 11 -14.664 11.584 1.966
111 H4* U 11 H4* U 11 -13.812 9.833 3.584
112 H3* U 11 H3* U 11 -11.759 11.791 2.546
113 H2* U 11 H2* U 11 -10.328 10.772 4.193
114 2HO* U 11 2HO* U 11 -12.045 10.575 5.762
115 H1* U 11 H1* U 11 -11.005 8.213 3.538
116 H3 U 11 H3 U 11 -6.729 9.174 2.213
117 H5 U 11 H5 U 11 -9.197 10.514 -0.939
118 H6 U 11 H6 U 11 -11.097 10.161 0.469
119 1H5* A 12 1H5* A 12 -13.253 13.280 6.664
120 2H5* A 12 2H5* A 12 -12.622 14.874 7.098
121 H4* A 12 H4* A 12 -11.389 12.847 8.045
122 H3* A 12 H3* A 12 -9.864 14.918 6.485
123 H2* A 12 H2* A 12 -7.894 13.732 7.121
124 2HO* A 12 2HO* A 12 -8.544 13.371 9.299
125 H1* A 12 H1* A 12 -8.973 11.206 6.635
126 H8 A 12 H8 A 12 -10.149 13.555 3.979
127 1H6 A 12 1H6 A 12 -4.814 12.502 1.044
128 2H6 A 12 2H6 A 12 -6.456 13.115 0.931
129 H2 A 12 H2 A 12 -4.316 11.205 5.318
130 1H5* U 13 1H5* U 13 -6.940 16.427 10.968
131 2H5* U 13 2H5* U 13 -6.828 16.939 9.287
132 H4* U 13 H4* U 13 -5.428 14.637 10.658
133 H3* U 13 H3* U 13 -4.819 16.925 8.770
134 H2* U 13 H2* U 13 -2.989 15.811 7.830
135 2HO* U 13 2HO* U 13 -2.169 13.892 8.685
136 H1* U 13 H1* U 13 -4.295 13.411 7.546
137 H3 U 13 H3 U 13 -4.212 15.102 3.308
138 H5 U 13 H5 U 13 -7.777 16.452 5.130
139 H6 U 13 H6 U 13 -6.805 15.916 7.258
140 1H5* C 14 1H5* C 14 -1.289 16.590 10.004
141 2H5* C 14 2H5* C 14 -0.589 18.118 10.572
142 H4* C 14 H4* C 14 0.752 17.364 8.749
143 H3* C 14 H3* C 14 -1.168 19.479 7.719
144 H2* C 14 H2* C 14 0.221 19.397 5.692
145 2HO* C 14 2HO* C 14 2.118 18.906 7.200
146 H1* C 14 H1* C 14 0.048 16.686 5.595
147 1H4 C 14 1H4 C 14 -5.011 18.894 2.375
148 2H4 C 14 2H4 C 14 -5.930 19.123 3.845
149 H5 C 14 H5 C 14 -4.931 18.672 6.107
150 H6 C 14 H6 C 14 -2.922 18.035 7.236
151 1H5* A 15 1H5* A 15 0.257 22.497 6.020
152 2H5* A 15 2H5* A 15 1.398 21.127 6.018
153 H4* A 15 H4* A 15 1.841 24.052 5.462
154 H3* A 15 H3* A 15 1.370 22.058 3.706
155 H2* A 15 H2* A 15 2.905 20.475 4.488
156 2HO* A 15 2HO* A 15 3.952 22.111 2.502
157 H1* A 15 H1* A 15 5.076 22.520 4.749
158 H8 A 15 H8 A 15 4.071 19.081 5.585
159 1H6 A 15 1H6 A 15 8.330 19.153 10.067
160 2H6 A 15 2H6 A 15 7.241 18.158 9.104
161 H2 A 15 H2 A 15 7.701 23.362 8.738
162 1H5* C 16 1H5* C 16 1.822 21.530 0.985
163 2H5* C 16 2H5* C 16 2.182 22.888 -0.044
164 H4* C 16 H4* C 16 0.876 21.376 -1.241
165 H3* C 16 H3* C 16 -0.075 23.925 -1.259
166 H2* C 16 H2* C 16 -1.355 23.778 0.725
167 2HO* C 16 2HO* C 16 -3.606 23.361 0.048
168 H1* C 16 H1* C 16 -2.573 21.187 -0.116
169 1H4 C 16 1H4 C 16 -3.906 22.135 6.165
170 2H4 C 16 2H4 C 16 -2.263 21.717 6.605
171 H5 C 16 H5 C 16 -0.593 21.100 4.840
172 H6 C 16 H6 C 16 -0.144 21.021 2.517
173 1H5* G 17 1H5* G 17 0.626 20.132 -4.598
174 2H5* G 17 2H5* G 17 0.476 20.121 -2.843
175 H4* G 17 H4* G 17 3.080 20.437 -4.419
176 H3* G 17 H3* G 17 1.911 18.158 -2.772
177 H2* G 17 H2* G 17 4.092 17.594 -2.139
178 2HO* G 17 2HO* G 17 4.610 17.990 -4.576
179 H1* G 17 H1* G 17 5.111 20.262 -2.338
180 H8 G 17 H8 G 17 6.357 19.589 -0.163
181 H1 G 17 H1 G 17 0.922 17.895 2.798
182 1H2 G 17 1H2 G 17 -0.762 17.881 1.384
183 2H2 G 17 2H2 G 17 -0.565 18.410 -0.279
184 1H5* G 18 1H5* G 18 4.212 15.816 -3.725
185 2H5* G 18 2H5* G 18 3.623 14.173 -4.003
186 H4* G 18 H4* G 18 4.744 14.853 -1.702
187 H3* G 18 H3* G 18 2.231 13.187 -1.920
188 H2* G 18 H2* G 18 2.314 12.993 0.477
189 2HO* G 18 2HO* G 18 4.770 12.932 0.277
190 H1* G 18 H1* G 18 2.883 15.632 0.948
191 H8 G 18 H8 G 18 0.411 15.343 -1.928
192 H1 G 18 H1 G 18 -2.253 14.421 3.860
193 1H2 G 18 1H2 G 18 -0.621 14.073 5.380
194 2H2 G 18 2H2 G 18 1.075 14.233 4.951
195 1H5* U 19 1H5* U 19 4.869 11.197 0.925
196 2H5* U 19 2H5* U 19 4.679 9.446 0.830
197 H4* U 19 H4* U 19 4.161 10.510 3.067
198 H3* U 19 H3* U 19 1.994 8.843 1.738
199 H2* U 19 H2* U 19 0.797 9.102 3.822
200 2HO* U 19 2HO* U 19 2.792 8.928 5.073
201 H1* U 19 H1* U 19 1.245 11.774 4.023
202 H3 U 19 H3 U 19 -3.156 11.418 2.728
203 H5 U 19 H5 U 19 -0.909 11.333 -0.829
204 H6 U 19 H6 U 19 1.068 11.085 0.469
205 1H5* A 20 1H5* A 20 3.089 6.853 5.469
206 2H5* A 20 2H5* A 20 2.801 5.105 5.374
207 H4* A 20 H4* A 20 1.440 6.272 7.095
208 H3* A 20 H3* A 20 -0.201 4.958 4.862
209 H2* A 20 H2* A 20 -2.077 5.556 6.152
210 2HO* A 20 2HO* A 20 -0.697 5.294 8.204
211 H1* A 20 H1* A 20 -1.427 7.996 6.560
212 H8 A 20 H8 A 20 0.082 7.186 3.102
213 1H6 A 20 1H6 A 20 -5.297 8.933 0.705
214 2H6 A 20 2H6 A 20 -3.644 8.440 0.436
215 H2 A 20 H2 A 20 -5.829 8.599 5.200
216 1H5* C 21 1H5* C 21 -2.122 4.126 8.197
217 2H5* C 21 2H5* C 21 -2.593 2.503 8.367
218 H4* C 21 H4* C 21 -4.519 3.989 8.488
219 H3* C 21 H3* C 21 -4.567 2.293 5.948
220 H2* C 21 H2* C 21 -6.717 3.271 5.568
221 2HO* C 21 2HO* C 21 -7.177 3.217 7.920
222 H1* C 21 H1* C 21 -5.882 5.824 6.104
223 1H4 C 21 1H4 C 21 -5.205 5.533 -0.115
224 2H4 C 21 2H4 C 21 -3.531 5.015 0.016
225 H5 C 21 H5 C 21 -2.534 4.380 2.259
226 H6 C 21 H6 C 21 -2.977 4.254 4.606
227 1H5* C 22 1H5* C 22 -8.247 1.507 8.057
228 2H5* C 22 2H5* C 22 -8.824 -0.148 7.772
229 H4* C 22 H4* C 22 -10.350 1.692 6.908
230 H3* C 22 H3* C 22 -9.210 -0.306 4.924
231 H2* C 22 H2* C 22 -10.548 0.765 3.264
232 2HO* C 22 2HO* C 22 -12.256 1.026 5.022
233 H1* C 22 H1* C 22 -10.043 3.339 4.137
234 1H4 C 22 1H4 C 22 -6.370 2.554 -0.925
235 2H4 C 22 2H4 C 22 -5.079 1.824 0.000
236 H5 C 22 H5 C 22 -5.308 1.475 2.520
237 H6 C 22 H6 C 22 -6.846 1.557 4.349
238 1H5* U 23 1H5* U 23 -13.306 -0.258 3.883
239 2H5* U 23 2H5* U 23 -13.831 -1.898 3.471
240 H4* U 23 H4* U 23 -14.029 -0.275 1.584
241 H3* U 23 H3* U 23 -12.099 -2.583 1.213
242 H2* U 23 H2* U 23 -11.890 -1.834 -1.083
243 2HO* U 23 2HO* U 23 -14.192 -1.321 -1.199
244 H1* U 23 H1* U 23 -11.746 0.823 -0.435
245 H3 U 23 H3 U 23 -7.569 -0.080 -1.910
246 H5 U 23 H5 U 23 -7.653 -1.657 1.999
247 H6 U 23 H6 U 23 -10.017 -1.227 2.070
248 1H5* U 24 1H5* U 24 -15.124 -2.515 -2.100
249 2H5* U 24 2H5* U 24 -15.388 -4.168 -2.676
250 H4* U 24 H4* U 24 -14.595 -2.548 -4.454
251 H3* U 24 H3* U 24 -12.813 -4.911 -3.802
252 H2* U 24 H2* U 24 -11.553 -4.272 -5.752
253 2HO* U 24 2HO* U 24 -12.237 -2.707 -7.164
254 H1* U 24 H1* U 24 -11.608 -1.572 -5.096
255 H3 U 24 H3 U 24 -7.278 -2.748 -4.629
256 H5 U 24 H5 U 24 -9.109 -4.230 -1.161
257 H6 U 24 H6 U 24 -11.281 -3.755 -2.145
258 1H5* U 25 1H5* U 25 -13.558 -5.080 -7.971
259 2H5* U 25 2H5* U 25 -13.725 -6.756 -8.522
260 H4* U 25 H4* U 25 -11.930 -5.544 -9.719
261 H3* U 25 H3* U 25 -10.965 -7.824 -7.943
262 H2* U 25 H2* U 25 -8.831 -7.483 -8.926
263 2HO* U 25 2HO* U 25 -9.953 -7.046 -11.034
264 H1* U 25 H1* U 25 -8.936 -4.733 -8.769
265 H3 U 25 H3 U 25 -5.799 -5.963 -5.694
266 H5 U 25 H5 U 25 -9.453 -6.594 -3.756
267 H6 U 25 H6 U 25 -10.592 -6.226 -5.855
268 1H5* G 26 1H5* G 26 -9.609 -9.007 -11.816
269 2H5* G 26 2H5* G 26 -9.652 -10.778 -11.952
270 H4* G 26 H4* G 26 -7.337 -9.790 -12.100
271 H3* G 26 H3* G 26 -7.911 -11.592 -9.731
272 H2* G 26 H2* G 26 -5.577 -11.438 -9.224
273 2HO* G 26 2HO* G 26 -4.405 -11.501 -10.984
274 H1* G 26 H1* G 26 -5.454 -8.711 -9.759
275 H8 G 26 H8 G 26 -8.568 -9.323 -7.701
276 H1 G 26 H1 G 26 -3.069 -9.899 -4.400
277 1H2 G 26 1H2 G 26 -1.324 -10.075 -5.892
278 2H2 G 26 2H2 G 26 -1.622 -9.923 -7.618
279 1H5* U 27 1H5* U 27 -4.429 -13.075 -12.102
280 2H5* U 27 2H5* U 27 -4.348 -14.839 -12.001
281 H4* U 27 H4* U 27 -2.232 -13.668 -11.344
282 H3* U 27 H3* U 27 -3.560 -15.312 -9.153
283 H2* U 27 H2* U 27 -1.510 -14.995 -7.975
284 2HO* U 27 2HO* U 27 -0.110 -15.132 -9.794
285 H1* U 27 H1* U 27 -1.458 -12.313 -8.456
286 H3 U 27 H3 U 27 -2.614 -13.036 -4.050
287 H5 U 27 H5 U 27 -6.214 -13.322 -6.228
288 H6 U 27 H6 U 27 -4.946 -13.284 -8.256
289 1H5* G 28 1H5* G 28 0.409 -17.102 -10.122
290 2H5* G 28 2H5* G 28 0.543 -18.753 -9.493
291 H4* G 28 H4* G 28 2.123 -16.917 -8.571
292 H3* G 28 H3* G 28 0.624 -18.668 -6.649
293 H2* G 28 H2* G 28 1.910 -17.510 -4.934
294 2HO* G 28 2HO* G 28 3.532 -16.088 -5.415
295 H1* G 28 H1* G 28 1.353 -15.016 -5.943
296 H8 G 28 H8 G 28 -1.868 -16.692 -6.644
297 H1 G 28 H1 G 28 -0.958 -15.672 -0.364
298 1H2 G 28 1H2 G 28 1.259 -15.384 0.049
299 2H2 G 28 2H2 G 28 2.410 -15.270 -1.270
300 1H5* U 29 1H5* U 29 4.519 -18.748 -5.484
301 2H5* U 29 2H5* U 29 5.146 -20.361 -5.102
302 H4* U 29 H4* U 29 5.347 -18.859 -3.179
303 H3* U 29 H3* U 29 3.313 -21.094 -2.814
304 H2* U 29 H2* U 29 3.106 -20.398 -0.558
305 2HO* U 29 2HO* U 29 5.496 -19.857 -0.594
306 H1* U 29 H1* U 29 2.896 -17.744 -1.146
307 H3 U 29 H3 U 29 -1.429 -19.048 -0.162
308 H5 U 29 H5 U 29 -0.901 -19.602 -4.301
309 H6 U 29 H6 U 29 1.403 -19.289 -4.028
310 1H5* C 30 1H5* C 30 6.119 -21.511 0.222
311 2H5* C 30 2H5* C 30 6.499 -23.210 0.554
312 H4* C 30 H4* C 30 5.602 -22.023 2.524
313 H3* C 30 H3* C 30 3.781 -24.178 1.371
314 H2* C 30 H2* C 30 2.406 -23.876 3.302
315 2HO* C 30 2HO* C 30 4.620 -23.554 4.496
316 H1* C 30 H1* C 30 2.777 -21.095 3.379
317 1H4 C 30 1H4 C 30 -3.000 -21.711 0.965
318 2H4 C 30 2H4 C 30 -2.404 -21.933 -0.670
319 H5 C 30 H5 C 30 0.092 -22.345 -1.093
320 H6 C 30 H6 C 30 2.248 -22.368 -0.031
321 H3T C 30 HE C 30 4.804 -25.468 2.830
Start of MODEL 13
1 1H5* G 1 1H5* G 1 -12.073 -20.635 7.281
2 2H5* G 1 2H5* G 1 -11.486 -21.695 5.989
3 H4* G 1 H4* G 1 -10.201 -21.578 8.588
4 H3* G 1 H3* G 1 -9.567 -20.056 6.070
5 H2* G 1 H2* G 1 -7.250 -20.130 6.773
6 2HO* G 1 2HO* G 1 -8.002 -19.920 9.082
7 H1* G 1 H1* G 1 -7.316 -22.770 7.418
8 H8 G 1 H8 G 1 -9.559 -22.427 4.380
9 H1 G 1 H1 G 1 -3.308 -21.919 2.973
10 1H2 G 1 1H2 G 1 -2.119 -21.716 4.914
11 2H2 G 1 2H2 G 1 -2.923 -21.777 6.479
12 1H5* G 2 1H5* G 2 -7.290 -18.238 9.210
13 2H5* G 2 2H5* G 2 -7.200 -16.489 8.969
14 H4* G 2 H4* G 2 -4.946 -17.654 9.049
15 H3* G 2 H3* G 2 -5.656 -16.195 6.489
16 H2* G 2 H2* G 2 -3.360 -16.532 5.963
17 2HO* G 2 2HO* G 2 -2.742 -16.137 8.251
18 H1* G 2 H1* G 2 -3.312 -19.154 6.845
19 H8 G 2 H8 G 2 -6.543 -18.755 4.966
20 H1 G 2 H1 G 2 -1.356 -18.478 1.123
21 1H2 G 2 1H2 G 2 0.494 -18.476 2.379
22 2H2 G 2 2H2 G 2 0.415 -18.496 4.137
23 1H5* C 3 1H5* C 3 -2.265 -14.467 8.382
24 2H5* C 3 2H5* C 3 -1.954 -12.777 7.969
25 H4* C 3 H4* C 3 -0.243 -14.586 7.296
26 H3* C 3 H3* C 3 -1.319 -12.590 5.246
27 H2* C 3 H2* C 3 0.280 -13.462 3.698
28 2HO* C 3 2HO* C 3 1.872 -13.615 5.503
29 H1* C 3 H1* C 3 -0.184 -16.084 4.366
30 1H4 C 3 1H4 C 3 -4.010 -15.450 -0.616
31 2H4 C 3 2H4 C 3 -5.324 -14.953 0.426
32 H5 C 3 H5 C 3 -4.989 -14.448 2.845
33 H6 C 3 H6 C 3 -3.393 -14.436 4.615
34 1H5* A 4 1H5* A 4 2.839 -11.490 5.440
35 2H5* A 4 2H5* A 4 3.001 -9.743 5.177
36 H4* A 4 H4* A 4 4.067 -11.174 3.411
37 H3* A 4 H3* A 4 1.791 -9.371 2.511
38 H2* A 4 H2* A 4 2.338 -10.046 0.284
39 2HO* A 4 2HO* A 4 4.664 -9.969 0.816
40 H1* A 4 H1* A 4 2.639 -12.706 0.917
41 H8 A 4 H8 A 4 -0.317 -11.326 2.880
42 1H6 A 4 1H6 A 4 -3.668 -12.740 -2.155
43 2H6 A 4 2H6 A 4 -3.704 -12.284 -0.458
44 H2 A 4 H2 A 4 0.666 -12.949 -3.267
45 1H5* C 5 1H5* C 5 5.295 -7.997 0.143
46 2H5* C 5 2H5* C 5 5.057 -6.292 -0.295
47 H4* C 5 H4* C 5 5.106 -7.925 -2.241
48 H3* C 5 H3* C 5 2.578 -6.293 -1.838
49 H2* C 5 H2* C 5 1.821 -7.281 -3.905
50 2HO* C 5 2HO* C 5 4.144 -7.147 -4.683
51 H1* C 5 H1* C 5 2.668 -9.826 -3.272
52 1H4 C 5 1H4 C 5 -3.565 -9.412 -1.975
53 2H4 C 5 2H4 C 5 -3.248 -8.671 -0.420
54 H5 C 5 H5 C 5 -0.927 -8.098 0.341
55 H6 C 5 H6 C 5 1.373 -8.055 -0.324
56 1H5* U 6 1H5* U 6 3.347 -5.744 -5.936
57 2H5* U 6 2H5* U 6 2.957 -4.118 -6.501
58 H4* U 6 H4* U 6 1.656 -5.998 -7.584
59 H3* U 6 H3* U 6 0.117 -3.827 -6.149
60 H2* U 6 H2* U 6 -1.914 -4.921 -6.779
61 2HO* U 6 2HO* U 6 -0.850 -5.437 -8.897
62 H1* U 6 H1* U 6 -1.076 -7.457 -6.239
63 H3 U 6 H3 U 6 -4.213 -6.342 -3.094
64 H5 U 6 H5 U 6 -0.482 -5.281 -1.460
65 H6 U 6 H6 U 6 0.497 -5.581 -3.608
66 1H5* C 7 1H5* C 7 -0.685 -2.966 -10.467
67 2H5* C 7 2H5* C 7 -0.897 -1.241 -10.829
68 H4* C 7 H4* C 7 -3.090 -2.521 -10.464
69 H3* C 7 H3* C 7 -2.395 -0.283 -8.533
70 H2* C 7 H2* C 7 -4.546 -0.606 -7.610
71 2HO* C 7 2HO* C 7 -5.736 -0.642 -9.523
72 H1* C 7 H1* C 7 -4.566 -3.406 -8.154
73 1H4 C 7 1H4 C 7 -4.282 -3.028 -1.882
74 2H4 C 7 2H4 C 7 -2.534 -2.848 -1.857
75 H5 C 7 H5 C 7 -1.237 -2.578 -4.073
76 H6 C 7 H6 C 7 -1.530 -2.390 -6.444
77 1H5* U 8 1H5* U 8 -6.264 0.240 -11.234
78 2H5* U 8 2H5* U 8 -6.482 1.989 -11.436
79 H4* U 8 H4* U 8 -8.592 0.804 -10.804
80 H3* U 8 H3* U 8 -7.487 2.833 -8.838
81 H2* U 8 H2* U 8 -9.532 2.523 -7.606
82 2HO* U 8 2HO* U 8 -10.709 2.383 -9.706
83 H1* U 8 H1* U 8 -9.577 -0.221 -7.892
84 H3 U 8 H3 U 8 -8.761 0.359 -3.443
85 H5 U 8 H5 U 8 -5.032 0.921 -5.320
86 H6 U 8 H6 U 8 -6.156 0.990 -7.445
87 1H5* G 9 1H5* G 9 -11.620 4.223 -9.642
88 2H5* G 9 2H5* G 9 -11.641 5.987 -9.447
89 H4* G 9 H4* G 9 -13.112 4.748 -7.828
90 H3* G 9 H3* G 9 -10.830 6.359 -6.650
91 H2* G 9 H2* G 9 -11.761 5.790 -4.482
92 2HO* G 9 2HO* G 9 -13.976 5.950 -5.423
93 H1* G 9 H1* G 9 -12.090 3.148 -5.067
94 H8 G 9 H8 G 9 -8.855 4.450 -6.708
95 H1 G 9 H1 G 9 -8.330 3.027 -0.464
96 1H2 G 9 1H2 G 9 -10.403 2.873 0.448
97 2H2 G 9 2H2 G 9 -11.826 2.858 -0.584
98 1H5* G 10 1H5* G 10 -14.597 7.485 -4.573
99 2H5* G 10 2H5* G 10 -14.502 9.162 -4.016
100 H4* G 10 H4* G 10 -14.875 7.387 -2.220
101 H3* G 10 H3* G 10 -12.516 9.269 -2.008
102 H2* G 10 H2* G 10 -12.072 8.255 0.145
103 2HO* G 10 2HO* G 10 -14.473 8.125 0.481
104 H1* G 10 H1* G 10 -12.464 5.678 -0.696
105 H8 G 10 H8 G 10 -10.633 7.395 -3.535
106 H1 G 10 H1 G 10 -6.865 5.941 1.463
107 1H2 G 10 1H2 G 10 -8.154 5.633 3.311
108 2H2 G 10 2H2 G 10 -9.908 5.563 3.184
109 1H5* U 11 1H5* U 11 -14.628 9.419 1.901
110 2H5* U 11 2H5* U 11 -14.506 11.062 2.557
111 H4* U 11 H4* U 11 -13.440 9.270 4.020
112 H3* U 11 H3* U 11 -11.616 11.454 3.015
113 H2* U 11 H2* U 11 -10.000 10.427 4.482
114 2HO* U 11 2HO* U 11 -11.612 9.982 6.125
115 H1* U 11 H1* U 11 -10.517 7.881 3.681
116 H3 U 11 H3 U 11 -6.438 9.173 2.089
117 H5 U 11 H5 U 11 -9.221 10.539 -0.767
118 H6 U 11 H6 U 11 -10.978 10.027 0.775
119 1H5* A 12 1H5* A 12 -12.887 12.492 7.319
120 2H5* A 12 2H5* A 12 -12.363 14.103 7.825
121 H4* A 12 H4* A 12 -10.868 12.144 8.500
122 H3* A 12 H3* A 12 -9.689 14.438 6.945
123 H2* A 12 H2* A 12 -7.567 13.407 7.329
124 2HO* A 12 2HO* A 12 -7.953 12.858 9.521
125 H1* A 12 H1* A 12 -8.479 10.822 6.778
126 H8 A 12 H8 A 12 -10.066 13.205 4.382
127 1H6 A 12 1H6 A 12 -5.010 12.620 0.879
128 2H6 A 12 2H6 A 12 -6.695 13.112 0.959
129 H2 A 12 H2 A 12 -3.974 11.245 5.031
130 1H5* U 13 1H5* U 13 -6.420 15.928 11.194
131 2H5* U 13 2H5* U 13 -6.526 16.519 9.539
132 H4* U 13 H4* U 13 -4.847 14.248 10.627
133 H3* U 13 H3* U 13 -4.579 16.683 8.848
134 H2* U 13 H2* U 13 -2.799 15.755 7.661
135 2HO* U 13 2HO* U 13 -1.763 13.859 8.305
136 H1* U 13 H1* U 13 -3.957 13.287 7.355
137 H3 U 13 H3 U 13 -4.455 15.134 3.219
138 H5 U 13 H5 U 13 -7.869 16.183 5.465
139 H6 U 13 H6 U 13 -6.649 15.627 7.455
140 1H5* C 14 1H5* C 14 -0.920 16.497 9.641
141 2H5* C 14 2H5* C 14 -0.241 18.034 10.211
142 H4* C 14 H4* C 14 0.890 17.460 8.194
143 H3* C 14 H3* C 14 -1.240 19.524 7.539
144 H2* C 14 H2* C 14 -0.066 19.654 5.366
145 2HO* C 14 2HO* C 14 1.955 19.013 6.732
146 H1* C 14 H1* C 14 -0.167 16.949 5.100
147 1H4 C 14 1H4 C 14 -5.745 18.941 2.713
148 2H4 C 14 2H4 C 14 -6.470 19.035 4.302
149 H5 C 14 H5 C 14 -5.152 18.534 6.379
150 H6 C 14 H6 C 14 -2.981 18.012 7.207
151 1H5* A 15 1H5* A 15 -0.345 22.768 6.068
152 2H5* A 15 2H5* A 15 0.889 21.519 5.777
153 H4* A 15 H4* A 15 0.987 24.500 5.367
154 H3* A 15 H3* A 15 0.610 22.488 3.580
155 H2* A 15 H2* A 15 2.420 21.121 4.223
156 2HO* A 15 2HO* A 15 3.814 21.165 2.526
157 H1* A 15 H1* A 15 4.221 23.511 4.238
158 H8 A 15 H8 A 15 3.442 20.132 5.896
159 1H6 A 15 1H6 A 15 8.853 20.739 8.824
160 2H6 A 15 2H6 A 15 7.454 19.708 8.539
161 H2 A 15 H2 A 15 8.167 24.453 6.440
162 1H5* C 16 1H5* C 16 0.770 22.174 0.790
163 2H5* C 16 2H5* C 16 0.809 23.628 -0.177
164 H4* C 16 H4* C 16 -0.433 21.988 -1.302
165 H3* C 16 H3* C 16 -1.588 24.435 -1.071
166 H2* C 16 H2* C 16 -2.690 24.107 0.992
167 2HO* C 16 2HO* C 16 -4.270 23.527 -1.228
168 H1* C 16 H1* C 16 -3.729 21.443 0.171
169 1H4 C 16 1H4 C 16 -4.373 21.896 6.613
170 2H4 C 16 2H4 C 16 -2.653 21.655 6.833
171 H5 C 16 H5 C 16 -1.161 21.326 4.855
172 H6 C 16 H6 C 16 -0.983 21.426 2.495
173 1H5* G 17 1H5* G 17 -0.892 20.928 -4.708
174 2H5* G 17 2H5* G 17 -0.838 20.793 -2.953
175 H4* G 17 H4* G 17 1.521 21.483 -4.781
176 H3* G 17 H3* G 17 0.794 19.007 -3.168
177 H2* G 17 H2* G 17 3.070 18.644 -2.792
178 2HO* G 17 2HO* G 17 3.277 19.234 -5.245
179 H1* G 17 H1* G 17 3.797 21.412 -2.924
180 H8 G 17 H8 G 17 5.299 20.826 -0.876
181 H1 G 17 H1 G 17 0.367 18.370 2.415
182 1H2 G 17 1H2 G 17 -1.426 18.253 1.150
183 2H2 G 17 2H2 G 17 -1.421 18.835 -0.509
184 1H5* G 18 1H5* G 18 3.145 16.961 -4.513
185 2H5* G 18 2H5* G 18 2.680 15.292 -4.869
186 H4* G 18 H4* G 18 3.968 15.900 -2.639
187 H3* G 18 H3* G 18 1.583 14.043 -2.729
188 H2* G 18 H2* G 18 1.920 13.711 -0.371
189 2HO* G 18 2HO* G 18 4.339 13.863 -0.795
190 H1* G 18 H1* G 18 2.323 16.356 0.227
191 H8 G 18 H8 G 18 -0.394 16.024 -2.424
192 H1 G 18 H1 G 18 -2.398 14.611 3.530
193 1H2 G 18 1H2 G 18 -0.599 14.317 4.866
194 2H2 G 18 2H2 G 18 1.029 14.627 4.283
195 1H5* U 19 1H5* U 19 4.690 12.112 -0.290
196 2H5* U 19 2H5* U 19 4.603 10.359 -0.457
197 H4* U 19 H4* U 19 4.267 11.320 1.877
198 H3* U 19 H3* U 19 2.130 9.480 0.747
199 H2* U 19 H2* U 19 1.150 9.594 2.952
200 2HO* U 19 2HO* U 19 3.268 9.577 3.983
201 H1* U 19 H1* U 19 1.372 12.290 3.186
202 H3 U 19 H3 U 19 -3.102 11.614 2.352
203 H5 U 19 H5 U 19 -1.246 11.777 -1.421
204 H6 U 19 H6 U 19 0.870 11.645 -0.346
205 1H5* A 20 1H5* A 20 3.784 7.567 4.345
206 2H5* A 20 2H5* A 20 3.618 5.803 4.263
207 H4* A 20 H4* A 20 2.364 6.889 6.126
208 H3* A 20 H3* A 20 0.610 5.400 4.105
209 H2* A 20 H2* A 20 -1.168 5.903 5.582
210 2HO* A 20 2HO* A 20 0.430 5.804 7.478
211 H1* A 20 H1* A 20 -0.674 8.395 5.855
212 H8 A 20 H8 A 20 0.540 7.633 2.271
213 1H6 A 20 1H6 A 20 -5.151 8.951 0.406
214 2H6 A 20 2H6 A 20 -3.501 8.568 -0.019
215 H2 A 20 H2 A 20 -5.234 8.603 4.928
216 1H5* C 21 1H5* C 21 -0.876 4.553 7.702
217 2H5* C 21 2H5* C 21 -1.242 2.923 7.982
218 H4* C 21 H4* C 21 -3.210 4.319 8.282
219 H3* C 21 H3* C 21 -3.476 2.527 5.828
220 H2* C 21 H2* C 21 -5.704 3.407 5.667
221 2HO* C 21 2HO* C 21 -5.842 3.454 8.077
222 H1* C 21 H1* C 21 -4.930 6.002 5.976
223 1H4 C 21 1H4 C 21 -4.819 5.542 -0.260
224 2H4 C 21 2H4 C 21 -3.119 5.111 -0.264
225 H5 C 21 H5 C 21 -1.896 4.583 1.884
226 H6 C 21 H6 C 21 -2.114 4.492 4.260
227 1H5* C 22 1H5* C 22 -6.948 1.834 8.295
228 2H5* C 22 2H5* C 22 -7.504 0.152 8.167
229 H4* C 22 H4* C 22 -9.161 1.896 7.348
230 H3* C 22 H3* C 22 -8.152 -0.202 5.398
231 H2* C 22 H2* C 22 -9.648 0.718 3.793
232 2HO* C 22 2HO* C 22 -11.209 1.064 5.672
233 H1* C 22 H1* C 22 -9.152 3.357 4.426
234 1H4 C 22 1H4 C 22 -5.772 2.472 -0.799
235 2H4 C 22 2H4 C 22 -4.374 1.926 0.103
236 H5 C 22 H5 C 22 -4.470 1.595 2.611
237 H6 C 22 H6 C 22 -5.898 1.682 4.522
238 1H5* U 23 1H5* U 23 -12.332 -0.334 4.661
239 2H5* U 23 2H5* U 23 -12.806 -2.017 4.380
240 H4* U 23 H4* U 23 -13.189 -0.524 2.416
241 H3* U 23 H3* U 23 -11.167 -2.752 2.042
242 H2* U 23 H2* U 23 -11.143 -2.108 -0.300
243 2HO* U 23 2HO* U 23 -13.449 -1.704 -0.339
244 H1* U 23 H1* U 23 -11.064 0.576 0.216
245 H3 U 23 H3 U 23 -6.947 -0.284 -1.448
246 H5 U 23 H5 U 23 -6.771 -1.706 2.515
247 H6 U 23 H6 U 23 -9.135 -1.314 2.708
248 1H5* U 24 1H5* U 24 -14.401 -2.969 -1.065
249 2H5* U 24 2H5* U 24 -14.587 -4.643 -1.606
250 H4* U 24 H4* U 24 -14.027 -2.976 -3.431
251 H3* U 24 H3* U 24 -12.109 -5.273 -2.940
252 H2* U 24 H2* U 24 -11.010 -4.539 -4.976
253 2HO* U 24 2HO* U 24 -13.216 -3.993 -5.858
254 H1* U 24 H1* U 24 -11.111 -1.867 -4.307
255 H3 U 24 H3 U 24 -6.697 -2.882 -3.989
256 H5 U 24 H5 U 24 -8.361 -4.528 -0.511
257 H6 U 24 H6 U 24 -10.573 -4.076 -1.392
258 1H5* U 25 1H5* U 25 -13.119 -5.393 -7.140
259 2H5* U 25 2H5* U 25 -13.185 -7.076 -7.681
260 H4* U 25 H4* U 25 -11.531 -5.698 -8.932
261 H3* U 25 H3* U 25 -10.371 -7.982 -7.286
262 H2* U 25 H2* U 25 -8.311 -7.508 -8.375
263 2HO* U 25 2HO* U 25 -9.563 -7.054 -10.402
264 H1* U 25 H1* U 25 -8.534 -4.776 -8.096
265 H3 U 25 H3 U 25 -5.197 -6.017 -5.230
266 H5 U 25 H5 U 25 -8.730 -6.866 -3.149
267 H6 U 25 H6 U 25 -9.982 -6.447 -5.171
268 1H5* G 26 1H5* G 26 -9.244 -8.929 -11.278
269 2H5* G 26 2H5* G 26 -9.219 -10.689 -11.512
270 H4* G 26 H4* G 26 -6.984 -9.572 -11.791
271 H3* G 26 H3* G 26 -7.243 -11.562 -9.512
272 H2* G 26 H2* G 26 -4.844 -11.298 -9.252
273 2HO* G 26 2HO* G 26 -4.655 -11.137 -11.655
274 H1* G 26 H1* G 26 -4.949 -8.542 -9.470
275 H8 G 26 H8 G 26 -7.959 -9.455 -7.396
276 H1 G 26 H1 G 26 -2.387 -9.940 -4.211
277 1H2 G 26 1H2 G 26 -0.663 -10.010 -5.725
278 2H2 G 26 2H2 G 26 -0.983 -9.814 -7.442
279 1H5* U 27 1H5* U 27 -3.851 -12.800 -12.075
280 2H5* U 27 2H5* U 27 -3.773 -14.569 -12.117
281 H4* U 27 H4* U 27 -1.658 -13.473 -11.363
282 H3* U 27 H3* U 27 -3.025 -15.239 -9.298
283 H2* U 27 H2* U 27 -0.997 -14.984 -8.052
284 2HO* U 27 2HO* U 27 0.375 -15.053 -9.944
285 H1* U 27 H1* U 27 -0.892 -12.278 -8.425
286 H3 U 27 H3 U 27 -2.056 -13.100 -4.057
287 H5 U 27 H5 U 27 -5.662 -13.330 -6.211
288 H6 U 27 H6 U 27 -4.403 -13.230 -8.255
289 1H5* G 28 1H5* G 28 0.991 -16.979 -10.104
290 2H5* G 28 2H5* G 28 1.024 -18.684 -9.616
291 H4* G 28 H4* G 28 2.583 -17.067 -8.390
292 H3* G 28 H3* G 28 0.742 -18.763 -6.731
293 H2* G 28 H2* G 28 1.908 -17.792 -4.829
294 2HO* G 28 2HO* G 28 3.671 -16.476 -5.060
295 H1* G 28 H1* G 28 1.632 -15.233 -5.721
296 H8 G 28 H8 G 28 -1.550 -16.753 -6.958
297 H1 G 28 H1 G 28 -1.517 -15.878 -0.597
298 1H2 G 28 1H2 G 28 0.630 -15.659 0.136
299 2H2 G 28 2H2 G 28 1.963 -15.599 -1.006
300 1H5* U 29 1H5* U 29 4.467 -19.200 -5.136
301 2H5* U 29 2H5* U 29 4.912 -20.869 -4.745
302 H4* U 29 H4* U 29 5.007 -19.449 -2.760
303 H3* U 29 H3* U 29 2.771 -21.504 -2.710
304 H2* U 29 H2* U 29 2.366 -20.855 -0.463
305 2HO* U 29 2HO* U 29 4.765 -20.520 -0.186
306 H1* U 29 H1* U 29 2.421 -18.179 -0.975
307 H3 U 29 H3 U 29 -2.080 -19.265 -0.556
308 H5 U 29 H5 U 29 -1.087 -19.693 -4.616
309 H6 U 29 H6 U 29 1.180 -19.524 -4.056
310 1H5* C 30 1H5* C 30 5.234 -22.227 0.602
311 2H5* C 30 2H5* C 30 5.380 -23.954 0.966
312 H4* C 30 H4* C 30 4.409 -22.612 2.829
313 H3* C 30 H3* C 30 2.575 -24.673 1.535
314 H2* C 30 H2* C 30 0.981 -24.181 3.227
315 2HO* C 30 2HO* C 30 1.565 -22.977 5.083
316 H1* C 30 H1* C 30 1.571 -21.424 3.307
317 1H4 C 30 1H4 C 30 -3.916 -21.840 0.208
318 2H4 C 30 2H4 C 30 -3.125 -22.169 -1.322
319 H5 C 30 H5 C 30 -0.645 -22.728 -1.407
320 H6 C 30 H6 C 30 1.366 -22.814 -0.093
321 H3T C 30 HE C 30 3.671 -24.757 4.102
Start of MODEL 14
1 1H5* G 1 1H5* G 1 -11.067 -22.054 7.548
2 2H5* G 1 2H5* G 1 -10.840 -20.302 7.394
3 H4* G 1 H4* G 1 -8.983 -21.489 8.593
4 H3* G 1 H3* G 1 -8.227 -20.104 5.999
5 H2* G 1 H2* G 1 -5.938 -20.496 6.751
6 2HO* G 1 2HO* G 1 -6.473 -20.142 9.009
7 H1* G 1 H1* G 1 -6.430 -23.114 7.316
8 H8 G 1 H8 G 1 -8.561 -22.411 4.282
9 H1 G 1 H1 G 1 -2.292 -22.204 2.896
10 1H2 G 1 1H2 G 1 -1.088 -22.264 4.828
11 2H2 G 1 2H2 G 1 -1.879 -22.480 6.384
12 1H5* G 2 1H5* G 2 -5.914 -18.411 9.336
13 2H5* G 2 2H5* G 2 -5.445 -16.747 8.994
14 H4* G 2 H4* G 2 -3.598 -18.494 9.526
15 H3* G 2 H3* G 2 -3.358 -16.685 7.138
16 H2* G 2 H2* G 2 -1.249 -17.704 6.660
17 2HO* G 2 2HO* G 2 -0.898 -17.946 9.041
18 H1* G 2 H1* G 2 -2.161 -20.248 6.869
19 H8 G 2 H8 G 2 -5.271 -19.061 5.401
20 H1 G 2 H1 G 2 -0.426 -18.377 1.251
21 1H2 G 2 1H2 G 2 1.525 -18.415 2.340
22 2H2 G 2 2H2 G 2 1.599 -18.592 4.090
23 1H5* C 3 1H5* C 3 -2.594 -12.603 7.845
24 2H5* C 3 2H5* C 3 -3.400 -13.286 6.441
25 H4* C 3 H4* C 3 -0.707 -14.142 7.613
26 H3* C 3 H3* C 3 -1.681 -12.649 5.166
27 H2* C 3 H2* C 3 0.231 -13.417 3.956
28 2HO* C 3 2HO* C 3 1.468 -13.306 6.091
29 H1* C 3 H1* C 3 -0.099 -16.005 4.697
30 1H4 C 3 1H4 C 3 -3.872 -15.613 -0.427
31 2H4 C 3 2H4 C 3 -5.242 -15.333 0.617
32 H5 C 3 H5 C 3 -5.021 -15.006 3.063
33 H6 C 3 H6 C 3 -3.454 -14.900 4.884
34 1H5* A 4 1H5* A 4 2.309 -11.405 5.450
35 2H5* A 4 2H5* A 4 2.497 -9.664 5.151
36 H4* A 4 H4* A 4 3.716 -11.096 3.504
37 H3* A 4 H3* A 4 1.461 -9.368 2.445
38 H2* A 4 H2* A 4 2.055 -10.104 0.251
39 2HO* A 4 2HO* A 4 4.381 -10.008 0.899
40 H1* A 4 H1* A 4 2.358 -12.737 0.923
41 H8 A 4 H8 A 4 -0.619 -11.511 2.922
42 1H6 A 4 1H6 A 4 -3.959 -12.887 -2.103
43 2H6 A 4 2H6 A 4 -3.977 -12.507 -0.388
44 H2 A 4 H2 A 4 0.368 -12.806 -3.300
45 1H5* C 5 1H5* C 5 4.918 -8.134 0.036
46 2H5* C 5 2H5* C 5 4.733 -6.428 -0.419
47 H4* C 5 H4* C 5 4.708 -8.061 -2.352
48 H3* C 5 H3* C 5 2.204 -6.394 -1.924
49 H2* C 5 H2* C 5 1.418 -7.379 -3.977
50 2HO* C 5 2HO* C 5 3.728 -7.288 -4.786
51 H1* C 5 H1* C 5 2.221 -9.930 -3.341
52 1H4 C 5 1H4 C 5 -3.974 -9.398 -1.973
53 2H4 C 5 2H4 C 5 -3.637 -8.686 -0.409
54 H5 C 5 H5 C 5 -1.285 -8.197 0.347
55 H6 C 5 H6 C 5 1.009 -8.190 -0.349
56 1H5* U 6 1H5* U 6 2.900 -5.942 -6.041
57 2H5* U 6 2H5* U 6 2.518 -4.325 -6.629
58 H4* U 6 H4* U 6 1.183 -6.222 -7.653
59 H3* U 6 H3* U 6 -0.306 -3.989 -6.264
60 H2* U 6 H2* U 6 -2.363 -5.069 -6.836
61 2HO* U 6 2HO* U 6 -1.347 -5.665 -8.952
62 H1* U 6 H1* U 6 -1.553 -7.599 -6.237
63 H3 U 6 H3 U 6 -4.675 -6.331 -3.130
64 H5 U 6 H5 U 6 -0.918 -5.317 -1.521
65 H6 U 6 H6 U 6 0.058 -5.694 -3.659
66 1H5* C 7 1H5* C 7 -1.103 -3.247 -10.619
67 2H5* C 7 2H5* C 7 -1.280 -1.534 -11.044
68 H4* C 7 H4* C 7 -3.496 -2.718 -10.602
69 H3* C 7 H3* C 7 -2.696 -0.477 -8.715
70 H2* C 7 H2* C 7 -4.844 -0.705 -7.757
71 2HO* C 7 2HO* C 7 -6.044 -0.727 -9.675
72 H1* C 7 H1* C 7 -4.969 -3.514 -8.262
73 1H4 C 7 1H4 C 7 -4.674 -3.005 -2.006
74 2H4 C 7 2H4 C 7 -2.922 -2.856 -1.976
75 H5 C 7 H5 C 7 -1.614 -2.665 -4.198
76 H6 C 7 H6 C 7 -1.901 -2.523 -6.574
77 1H5* U 8 1H5* U 8 -6.577 0.162 -11.372
78 2H5* U 8 2H5* U 8 -6.702 1.915 -11.606
79 H4* U 8 H4* U 8 -8.870 0.874 -10.957
80 H3* U 8 H3* U 8 -7.647 2.836 -8.989
81 H2* U 8 H2* U 8 -9.729 2.668 -7.786
82 2HO* U 8 2HO* U 8 -10.885 2.592 -9.896
83 H1* U 8 H1* U 8 -9.935 -0.071 -8.061
84 H3 U 8 H3 U 8 -9.171 0.585 -3.602
85 H5 U 8 H5 U 8 -5.376 0.815 -5.416
86 H6 U 8 H6 U 8 -6.449 0.879 -7.568
87 1H5* G 9 1H5* G 9 -11.673 4.465 -9.889
88 2H5* G 9 2H5* G 9 -11.610 6.227 -9.695
89 H4* G 9 H4* G 9 -13.196 5.054 -8.128
90 H3* G 9 H3* G 9 -10.895 6.580 -6.877
91 H2* G 9 H2* G 9 -11.934 6.070 -4.739
92 2HO* G 9 2HO* G 9 -14.101 6.314 -5.756
93 H1* G 9 H1* G 9 -12.345 3.437 -5.322
94 H8 G 9 H8 G 9 -8.995 4.544 -6.852
95 H1 G 9 H1 G 9 -8.797 3.321 -0.546
96 1H2 G 9 1H2 G 9 -10.918 3.273 0.276
97 2H2 G 9 2H2 G 9 -12.288 3.288 -0.826
98 1H5* G 10 1H5* G 10 -14.709 7.878 -4.978
99 2H5* G 10 2H5* G 10 -14.579 9.564 -4.458
100 H4* G 10 H4* G 10 -15.108 7.854 -2.638
101 H3* G 10 H3* G 10 -12.687 9.649 -2.360
102 H2* G 10 H2* G 10 -12.395 8.686 -0.155
103 2HO* G 10 2HO* G 10 -14.830 8.642 0.025
104 H1* G 10 H1* G 10 -12.835 6.105 -0.952
105 H8 G 10 H8 G 10 -10.796 7.647 -3.743
106 H1 G 10 H1 G 10 -7.364 6.187 1.493
107 1H2 G 10 1H2 G 10 -8.765 5.989 3.276
108 2H2 G 10 2H2 G 10 -10.512 6.005 3.053
109 1H5* U 11 1H5* U 11 -14.889 9.985 1.457
110 2H5* U 11 2H5* U 11 -14.747 11.650 2.046
111 H4* U 11 H4* U 11 -13.802 9.917 3.634
112 H3* U 11 H3* U 11 -11.846 11.962 2.583
113 H2* U 11 H2* U 11 -10.338 10.967 4.177
114 2HO* U 11 2HO* U 11 -11.982 10.700 5.799
115 H1* U 11 H1* U 11 -10.951 8.392 3.525
116 H3 U 11 H3 U 11 -6.737 9.394 2.081
117 H5 U 11 H5 U 11 -9.304 10.773 -0.972
118 H6 U 11 H6 U 11 -11.160 10.400 0.490
119 1H5* A 12 1H5* A 12 -13.226 13.355 6.776
120 2H5* A 12 2H5* A 12 -12.619 14.965 7.190
121 H4* A 12 H4* A 12 -11.314 12.950 8.090
122 H3* A 12 H3* A 12 -9.891 15.079 6.509
123 H2* A 12 H2* A 12 -7.868 13.921 7.042
124 2HO* A 12 2HO* A 12 -8.402 13.496 9.231
125 H1* A 12 H1* A 12 -8.908 11.381 6.553
126 H8 A 12 H8 A 12 -10.240 13.755 3.988
127 1H6 A 12 1H6 A 12 -5.069 12.715 0.771
128 2H6 A 12 2H6 A 12 -6.716 13.327 0.742
129 H2 A 12 H2 A 12 -4.339 11.416 5.004
130 1H5* U 13 1H5* U 13 -6.733 16.449 10.921
131 2H5* U 13 2H5* U 13 -6.689 17.011 9.253
132 H4* U 13 H4* U 13 -5.275 14.644 10.490
133 H3* U 13 H3* U 13 -4.670 17.002 8.692
134 H2* U 13 H2* U 13 -2.940 15.859 7.577
135 2HO* U 13 2HO* U 13 -2.471 14.814 9.809
136 H1* U 13 H1* U 13 -4.300 13.503 7.276
137 H3 U 13 H3 U 13 -4.562 15.195 3.074
138 H5 U 13 H5 U 13 -7.870 16.727 5.195
139 H6 U 13 H6 U 13 -6.764 16.119 7.235
140 1H5* C 14 1H5* C 14 -1.026 16.513 9.577
141 2H5* C 14 2H5* C 14 -0.266 18.006 10.163
142 H4* C 14 H4* C 14 0.872 17.367 8.163
143 H3* C 14 H3* C 14 -1.096 19.555 7.466
144 H2* C 14 H2* C 14 0.086 19.572 5.309
145 2HO* C 14 2HO* C 14 1.872 18.232 4.966
146 H1* C 14 H1* C 14 -0.183 16.878 5.065
147 1H4 C 14 1H4 C 14 -5.555 19.258 2.577
148 2H4 C 14 2H4 C 14 -6.309 19.364 4.153
149 H5 C 14 H5 C 14 -5.058 18.803 6.249
150 H6 C 14 H6 C 14 -2.936 18.143 7.115
151 1H5* A 15 1H5* A 15 0.389 22.844 6.125
152 2H5* A 15 2H5* A 15 1.322 21.339 5.966
153 H4* A 15 H4* A 15 2.124 24.184 5.476
154 H3* A 15 H3* A 15 1.511 22.137 3.789
155 H2* A 15 H2* A 15 2.924 20.500 4.671
156 2HO* A 15 2HO* A 15 4.370 20.141 3.086
157 H1* A 15 H1* A 15 5.185 22.427 4.851
158 H8 A 15 H8 A 15 3.159 20.024 7.112
159 1H6 A 15 1H6 A 15 8.689 18.044 9.085
160 2H6 A 15 2H6 A 15 6.943 17.848 9.205
161 H2 A 15 H2 A 15 9.373 21.294 6.098
162 1H5* C 16 1H5* C 16 1.992 21.718 0.685
163 2H5* C 16 2H5* C 16 1.979 23.181 -0.272
164 H4* C 16 H4* C 16 0.596 21.432 -1.186
165 H3* C 16 H3* C 16 -0.204 24.070 -1.128
166 H2* C 16 H2* C 16 -1.346 23.957 0.968
167 2HO* C 16 2HO* C 16 -3.023 23.515 -1.229
168 H1* C 16 H1* C 16 -2.680 21.381 0.124
169 1H4 C 16 1H4 C 16 -4.012 22.066 6.430
170 2H4 C 16 2H4 C 16 -2.315 21.846 6.830
171 H5 C 16 H5 C 16 -0.614 21.486 5.055
172 H6 C 16 H6 C 16 -0.189 21.447 2.731
173 1H5* G 17 1H5* G 17 1.653 22.143 -4.853
174 2H5* G 17 2H5* G 17 0.825 20.570 -4.967
175 H4* G 17 H4* G 17 3.430 20.788 -4.625
176 H3* G 17 H3* G 17 1.714 18.746 -3.180
177 H2* G 17 H2* G 17 3.816 17.861 -2.463
178 2HO* G 17 2HO* G 17 4.533 18.275 -4.814
179 H1* G 17 H1* G 17 5.091 20.416 -2.433
180 H8 G 17 H8 G 17 6.104 19.707 -0.180
181 H1 G 17 H1 G 17 0.407 18.138 2.304
182 1H2 G 17 1H2 G 17 -1.149 18.066 0.689
183 2H2 G 17 2H2 G 17 -0.765 18.547 -0.953
184 1H5* G 18 1H5* G 18 3.874 16.238 -4.160
185 2H5* G 18 2H5* G 18 3.194 14.673 -4.567
186 H4* G 18 H4* G 18 4.345 15.185 -2.206
187 H3* G 18 H3* G 18 1.841 13.512 -2.511
188 H2* G 18 H2* G 18 1.995 13.167 -0.122
189 2HO* G 18 2HO* G 18 4.443 13.176 -0.395
190 H1* G 18 H1* G 18 2.526 15.782 0.486
191 H8 G 18 H8 G 18 -0.028 15.553 -2.359
192 H1 G 18 H1 G 18 -2.474 14.620 3.526
193 1H2 G 18 1H2 G 18 -0.793 14.276 4.988
194 2H2 G 18 2H2 G 18 0.886 14.414 4.496
195 1H5* U 19 1H5* U 19 4.642 11.438 0.183
196 2H5* U 19 2H5* U 19 4.427 9.693 0.084
197 H4* U 19 H4* U 19 4.045 10.794 2.349
198 H3* U 19 H3* U 19 1.857 9.039 1.183
199 H2* U 19 H2* U 19 0.776 9.313 3.332
200 2HO* U 19 2HO* U 19 2.834 9.218 4.473
201 H1* U 19 H1* U 19 1.153 11.996 3.461
202 H3 U 19 H3 U 19 -3.296 11.662 2.412
203 H5 U 19 H5 U 19 -1.252 11.432 -1.256
204 H6 U 19 H6 U 19 0.789 11.159 -0.060
205 1H5* A 20 1H5* A 20 3.228 7.197 4.908
206 2H5* A 20 2H5* A 20 2.970 5.442 4.903
207 H4* A 20 H4* A 20 1.677 6.658 6.644
208 H3* A 20 H3* A 20 -0.056 5.224 4.563
209 H2* A 20 H2* A 20 -1.873 5.869 5.912
210 2HO* A 20 2HO* A 20 -0.378 5.729 7.900
211 H1* A 20 H1* A 20 -1.237 8.337 6.171
212 H8 A 20 H8 A 20 0.087 7.345 2.683
213 1H6 A 20 1H6 A 20 -5.385 9.081 0.503
214 2H6 A 20 2H6 A 20 -3.756 8.553 0.165
215 H2 A 20 H2 A 20 -5.700 8.872 5.024
216 1H5* C 21 1H5* C 21 -1.798 4.554 8.067
217 2H5* C 21 2H5* C 21 -2.284 2.948 8.329
218 H4* C 21 H4* C 21 -4.172 4.478 8.494
219 H3* C 21 H3* C 21 -4.384 2.646 6.065
220 H2* C 21 H2* C 21 -6.539 3.637 5.734
221 2HO* C 21 2HO* C 21 -6.824 3.739 8.136
222 H1* C 21 H1* C 21 -5.654 6.202 6.068
223 1H4 C 21 1H4 C 21 -5.213 5.682 -0.140
224 2H4 C 21 2H4 C 21 -3.543 5.151 -0.046
225 H5 C 21 H5 C 21 -2.482 4.553 2.171
226 H6 C 21 H6 C 21 -2.840 4.504 4.533
227 1H5* C 22 1H5* C 22 -8.024 2.122 8.300
228 2H5* C 22 2H5* C 22 -8.629 0.458 8.157
229 H4* C 22 H4* C 22 -10.161 2.229 7.192
230 H3* C 22 H3* C 22 -9.060 0.107 5.318
231 H2* C 22 H2* C 22 -10.434 1.067 3.622
232 2HO* C 22 2HO* C 22 -12.104 1.446 5.395
233 H1* C 22 H1* C 22 -9.908 3.691 4.307
234 1H4 C 22 1H4 C 22 -6.275 2.668 -0.727
235 2H4 C 22 2H4 C 22 -4.972 2.001 0.231
236 H5 C 22 H5 C 22 -5.204 1.714 2.748
237 H6 C 22 H6 C 22 -6.729 1.882 4.582
238 1H5* U 23 1H5* U 23 -13.165 0.089 4.311
239 2H5* U 23 2H5* U 23 -13.678 -1.576 4.000
240 H4* U 23 H4* U 23 -13.905 -0.083 2.022
241 H3* U 23 H3* U 23 -11.916 -2.358 1.760
242 H2* U 23 H2* U 23 -11.766 -1.728 -0.583
243 2HO* U 23 2HO* U 23 -14.108 -1.244 -0.616
244 H1* U 23 H1* U 23 -11.650 0.958 -0.066
245 H3 U 23 H3 U 23 -7.480 -0.005 -1.525
246 H5 U 23 H5 U 23 -7.530 -1.411 2.449
247 H6 U 23 H6 U 23 -9.891 -0.961 2.525
248 1H5* U 24 1H5* U 24 -14.917 -2.522 -1.520
249 2H5* U 24 2H5* U 24 -15.150 -4.200 -2.029
250 H4* U 24 H4* U 24 -14.414 -2.619 -3.860
251 H3* U 24 H3* U 24 -12.610 -4.965 -3.188
252 H2* U 24 H2* U 24 -11.392 -4.350 -5.194
253 2HO* U 24 2HO* U 24 -13.537 -3.782 -6.202
254 H1* U 24 H1* U 24 -11.465 -1.637 -4.631
255 H3 U 24 H3 U 24 -7.089 -2.754 -4.162
256 H5 U 24 H5 U 24 -8.880 -4.218 -0.669
257 H6 U 24 H6 U 24 -11.063 -3.739 -1.621
258 1H5* U 25 1H5* U 25 -13.475 -5.288 -7.409
259 2H5* U 25 2H5* U 25 -13.607 -6.998 -7.849
260 H4* U 25 H4* U 25 -11.855 -5.794 -9.128
261 H3* U 25 H3* U 25 -10.821 -7.990 -7.284
262 H2* U 25 H2* U 25 -8.726 -7.663 -8.370
263 2HO* U 25 2HO* U 25 -9.888 -7.323 -10.453
264 H1* U 25 H1* U 25 -8.859 -4.916 -8.276
265 H3 U 25 H3 U 25 -5.645 -6.036 -5.224
266 H5 U 25 H5 U 25 -9.258 -6.678 -3.210
267 H6 U 25 H6 U 25 -10.439 -6.346 -5.290
268 1H5* G 26 1H5* G 26 -9.781 -9.269 -11.227
269 2H5* G 26 2H5* G 26 -9.772 -11.041 -11.340
270 H4* G 26 H4* G 26 -7.540 -9.942 -11.732
271 H3* G 26 H3* G 26 -7.760 -11.810 -9.350
272 H2* G 26 H2* G 26 -5.357 -11.533 -9.141
273 2HO* G 26 2HO* G 26 -5.187 -11.504 -11.542
274 H1* G 26 H1* G 26 -5.451 -8.802 -9.503
275 H8 G 26 H8 G 26 -8.438 -9.562 -7.325
276 H1 G 26 H1 G 26 -2.798 -9.981 -4.246
277 1H2 G 26 1H2 G 26 -1.104 -10.078 -5.800
278 2H2 G 26 2H2 G 26 -1.464 -9.915 -7.511
279 1H5* U 27 1H5* U 27 -4.417 -13.156 -11.989
280 2H5* U 27 2H5* U 27 -4.251 -14.915 -11.889
281 H4* U 27 H4* U 27 -2.182 -13.596 -11.317
282 H3* U 27 H3* U 27 -3.274 -15.402 -9.125
283 H2* U 27 H2* U 27 -1.256 -14.903 -7.984
284 2HO* U 27 2HO* U 27 -0.005 -14.884 -10.011
285 H1* U 27 H1* U 27 -1.416 -12.222 -8.413
286 H3 U 27 H3 U 27 -2.412 -13.129 -4.006
287 H5 U 27 H5 U 27 -6.045 -13.527 -6.098
288 H6 U 27 H6 U 27 -4.818 -13.417 -8.155
289 1H5* G 28 1H5* G 28 0.877 -16.604 -10.014
290 2H5* G 28 2H5* G 28 1.192 -18.267 -9.497
291 H4* G 28 H4* G 28 2.510 -16.361 -8.383
292 H3* G 28 H3* G 28 1.128 -18.399 -6.657
293 H2* G 28 H2* G 28 2.152 -17.224 -4.779
294 2HO* G 28 2HO* G 28 4.063 -16.812 -6.289
295 H1* G 28 H1* G 28 1.400 -14.743 -5.625
296 H8 G 28 H8 G 28 -1.537 -16.648 -6.803
297 H1 G 28 H1 G 28 -1.533 -15.993 -0.421
298 1H2 G 28 1H2 G 28 0.533 -15.505 0.324
299 2H2 G 28 2H2 G 28 1.866 -15.275 -0.781
300 1H5* U 29 1H5* U 29 5.048 -18.270 -5.282
301 2H5* U 29 2H5* U 29 5.718 -19.873 -4.930
302 H4* U 29 H4* U 29 5.662 -18.433 -2.936
303 H3* U 29 H3* U 29 3.773 -20.817 -2.818
304 H2* U 29 H2* U 29 3.359 -20.220 -0.556
305 2HO* U 29 2HO* U 29 5.716 -19.501 -0.444
306 H1* U 29 H1* U 29 3.011 -17.562 -1.079
307 H3 U 29 H3 U 29 -1.243 -19.190 -0.380
308 H5 U 29 H5 U 29 -0.464 -19.607 -4.488
309 H6 U 29 H6 U 29 1.804 -19.130 -4.084
310 1H5* C 30 1H5* C 30 6.257 -21.080 0.514
311 2H5* C 30 2H5* C 30 6.721 -22.754 0.864
312 H4* C 30 H4* C 30 5.519 -21.639 2.736
313 H3* C 30 H3* C 30 4.115 -23.994 1.409
314 H2* C 30 H2* C 30 2.449 -23.841 3.092
315 2HO* C 30 2HO* C 30 2.786 -22.587 4.976
316 H1* C 30 H1* C 30 2.529 -21.023 3.249
317 1H4 C 30 1H4 C 30 -2.864 -22.039 0.218
318 2H4 C 30 2H4 C 30 -2.063 -22.099 -1.339
319 H5 C 30 H5 C 30 0.474 -22.323 -1.496
320 H6 C 30 H6 C 30 2.499 -22.213 -0.209
321 H3T C 30 HE C 30 5.195 -23.916 3.980
Start of MODEL 15
1 1H5* G 1 1H5* G 1 -11.780 -21.977 7.046
2 2H5* G 1 2H5* G 1 -11.395 -20.246 7.003
3 H4* G 1 H4* G 1 -9.654 -21.668 8.120
4 H3* G 1 H3* G 1 -8.772 -20.200 5.614
5 H2* G 1 H2* G 1 -6.529 -20.839 6.333
6 2HO* G 1 2HO* G 1 -7.047 -20.575 8.612
7 H1* G 1 H1* G 1 -7.257 -23.431 6.743
8 H8 G 1 H8 G 1 -9.290 -22.335 3.750
9 H1 G 1 H1 G 1 -3.019 -22.653 2.403
10 1H2 G 1 1H2 G 1 -1.845 -22.950 4.331
11 2H2 G 1 2H2 G 1 -2.667 -23.193 5.868
12 1H5* G 2 1H5* G 2 -6.305 -18.922 9.015
13 2H5* G 2 2H5* G 2 -5.695 -17.288 8.766
14 H4* G 2 H4* G 2 -4.003 -19.215 9.175
15 H3* G 2 H3* G 2 -3.627 -17.300 6.889
16 H2* G 2 H2* G 2 -1.616 -18.455 6.330
17 2HO* G 2 2HO* G 2 -1.257 -18.865 8.686
18 H1* G 2 H1* G 2 -2.736 -20.927 6.410
19 H8 G 2 H8 G 2 -5.744 -19.402 5.040
20 H1 G 2 H1 G 2 -0.871 -18.931 0.892
21 1H2 G 2 1H2 G 2 1.069 -19.233 1.953
22 2H2 G 2 2H2 G 2 1.136 -19.515 3.691
23 1H5* C 3 1H5* C 3 -2.671 -13.325 7.818
24 2H5* C 3 2H5* C 3 -3.525 -13.912 6.398
25 H4* C 3 H4* C 3 -0.852 -14.930 7.483
26 H3* C 3 H3* C 3 -1.788 -13.262 5.133
27 H2* C 3 H2* C 3 0.090 -14.029 3.874
28 2HO* C 3 2HO* C 3 1.350 -14.056 5.985
29 H1* C 3 H1* C 3 -0.314 -16.645 4.493
30 1H4 C 3 1H4 C 3 -4.043 -15.897 -0.632
31 2H4 C 3 2H4 C 3 -5.406 -15.619 0.424
32 H5 C 3 H5 C 3 -5.188 -15.401 2.871
33 H6 C 3 H6 C 3 -3.636 -15.425 4.704
34 1H5* A 4 1H5* A 4 2.234 -12.056 5.578
35 2H5* A 4 2H5* A 4 2.438 -10.308 5.340
36 H4* A 4 H4* A 4 3.673 -11.707 3.672
37 H3* A 4 H3* A 4 1.465 -9.913 2.623
38 H2* A 4 H2* A 4 2.107 -10.585 0.420
39 2HO* A 4 2HO* A 4 4.418 -10.542 1.145
40 H1* A 4 H1* A 4 2.367 -13.241 1.011
41 H8 A 4 H8 A 4 -0.645 -12.004 2.964
42 1H6 A 4 1H6 A 4 -3.895 -13.145 -2.173
43 2H6 A 4 2H6 A 4 -3.942 -12.790 -0.454
44 H2 A 4 H2 A 4 0.467 -13.223 -3.252
45 1H5* C 5 1H5* C 5 5.017 -8.688 0.326
46 2H5* C 5 2H5* C 5 4.875 -6.971 -0.105
47 H4* C 5 H4* C 5 4.881 -8.577 -2.065
48 H3* C 5 H3* C 5 2.414 -6.850 -1.688
49 H2* C 5 H2* C 5 1.649 -7.793 -3.771
50 2HO* C 5 2HO* C 5 3.991 -7.767 -4.511
51 H1* C 5 H1* C 5 2.359 -10.372 -3.151
52 1H4 C 5 1H4 C 5 -3.852 -9.709 -1.868
53 2H4 C 5 2H4 C 5 -3.510 -9.050 -0.284
54 H5 C 5 H5 C 5 -1.169 -8.611 0.502
55 H6 C 5 H6 C 5 1.133 -8.650 -0.154
56 1H5* U 6 1H5* U 6 3.155 -6.405 -5.779
57 2H5* U 6 2H5* U 6 2.851 -4.770 -6.365
58 H4* U 6 H4* U 6 1.426 -6.585 -7.403
59 H3* U 6 H3* U 6 0.038 -4.312 -5.975
60 H2* U 6 H2* U 6 -2.065 -5.290 -6.555
61 2HO* U 6 2HO* U 6 -1.093 -5.905 -8.682
62 H1* U 6 H1* U 6 -1.371 -7.853 -5.983
63 H3 U 6 H3 U 6 -4.399 -6.514 -2.830
64 H5 U 6 H5 U 6 -0.591 -5.672 -1.246
65 H6 U 6 H6 U 6 0.347 -6.056 -3.402
66 1H5* C 7 1H5* C 7 -0.714 -3.509 -10.334
67 2H5* C 7 2H5* C 7 -0.854 -1.791 -10.750
68 H4* C 7 H4* C 7 -3.092 -2.934 -10.298
69 H3* C 7 H3* C 7 -2.244 -0.697 -8.425
70 H2* C 7 H2* C 7 -4.408 -0.871 -7.482
71 2HO* C 7 2HO* C 7 -5.618 -0.905 -9.384
72 H1* C 7 H1* C 7 -4.581 -3.677 -7.950
73 1H4 C 7 1H4 C 7 -4.277 -3.203 -1.701
74 2H4 C 7 2H4 C 7 -2.520 -3.146 -1.674
75 H5 C 7 H5 C 7 -1.212 -2.962 -3.891
76 H6 C 7 H6 C 7 -1.491 -2.787 -6.265
77 1H5* U 8 1H5* U 8 -6.086 -0.026 -11.092
78 2H5* U 8 2H5* U 8 -6.233 1.726 -11.326
79 H4* U 8 H4* U 8 -8.385 0.640 -10.668
80 H3* U 8 H3* U 8 -7.199 2.650 -8.728
81 H2* U 8 H2* U 8 -9.277 2.451 -7.522
82 2HO* U 8 2HO* U 8 -10.438 2.304 -9.629
83 H1* U 8 H1* U 8 -9.407 -0.293 -7.736
84 H3 U 8 H3 U 8 -8.611 0.533 -3.300
85 H5 U 8 H5 U 8 -4.840 0.731 -5.164
86 H6 U 8 H6 U 8 -5.938 0.721 -7.302
87 1H5* G 9 1H5* G 9 -11.261 4.137 -9.616
88 2H5* G 9 2H5* G 9 -11.262 5.903 -9.450
89 H4* G 9 H4* G 9 -12.795 4.700 -7.854
90 H3* G 9 H3* G 9 -10.543 6.330 -6.648
91 H2* G 9 H2* G 9 -11.555 5.826 -4.495
92 2HO* G 9 2HO* G 9 -13.733 5.969 -5.502
93 H1* G 9 H1* G 9 -11.868 3.169 -5.022
94 H8 G 9 H8 G 9 -8.566 4.318 -6.606
95 H1 G 9 H1 G 9 -8.288 3.341 -0.259
96 1H2 G 9 1H2 G 9 -10.403 3.270 0.580
97 2H2 G 9 2H2 G 9 -11.782 3.225 -0.510
98 1H5* G 10 1H5* G 10 -14.411 7.533 -4.791
99 2H5* G 10 2H5* G 10 -14.346 9.230 -4.294
100 H4* G 10 H4* G 10 -14.829 7.525 -2.457
101 H3* G 10 H3* G 10 -12.485 9.417 -2.178
102 H2* G 10 H2* G 10 -12.180 8.497 0.043
103 2HO* G 10 2HO* G 10 -14.612 8.354 0.201
104 H1* G 10 H1* G 10 -12.498 5.888 -0.725
105 H8 G 10 H8 G 10 -10.523 7.460 -3.537
106 H1 G 10 H1 G 10 -7.023 6.276 1.720
107 1H2 G 10 1H2 G 10 -8.407 6.061 3.514
108 2H2 G 10 2H2 G 10 -10.154 6.013 3.303
109 1H5* U 11 1H5* U 11 -14.735 9.718 1.608
110 2H5* U 11 2H5* U 11 -14.683 11.402 2.163
111 H4* U 11 H4* U 11 -13.645 9.762 3.799
112 H3* U 11 H3* U 11 -11.803 11.869 2.675
113 H2* U 11 H2* U 11 -10.253 11.000 4.307
114 2HO* U 11 2HO* U 11 -11.880 10.692 5.936
115 H1* U 11 H1* U 11 -10.730 8.383 3.725
116 H3 U 11 H3 U 11 -6.564 9.529 2.261
117 H5 U 11 H5 U 11 -9.176 10.684 -0.844
118 H6 U 11 H6 U 11 -11.024 10.287 0.632
119 1H5* A 12 1H5* A 12 -13.156 13.264 6.846
120 2H5* A 12 2H5* A 12 -12.613 14.902 7.242
121 H4* A 12 H4* A 12 -11.234 12.951 8.178
122 H3* A 12 H3* A 12 -9.886 15.101 6.560
123 H2* A 12 H2* A 12 -7.821 14.016 7.121
124 2HO* A 12 2HO* A 12 -8.373 13.617 9.320
125 H1* A 12 H1* A 12 -8.788 11.435 6.669
126 H8 A 12 H8 A 12 -10.171 13.727 4.060
127 1H6 A 12 1H6 A 12 -4.953 12.802 0.883
128 2H6 A 12 2H6 A 12 -6.619 13.359 0.840
129 H2 A 12 H2 A 12 -4.200 11.605 5.148
130 1H5* U 13 1H5* U 13 -6.764 16.753 10.858
131 2H5* U 13 2H5* U 13 -6.768 17.240 9.167
132 H4* U 13 H4* U 13 -5.230 14.993 10.482
133 H3* U 13 H3* U 13 -4.759 17.319 8.603
134 H2* U 13 H2* U 13 -3.001 16.233 7.488
135 2HO* U 13 2HO* U 13 -2.434 15.291 9.744
136 H1* U 13 H1* U 13 -4.226 13.792 7.298
137 H3 U 13 H3 U 13 -4.580 15.386 3.051
138 H5 U 13 H5 U 13 -7.968 16.777 5.146
139 H6 U 13 H6 U 13 -6.836 16.252 7.194
140 1H5* C 14 1H5* C 14 -1.100 17.067 9.421
141 2H5* C 14 2H5* C 14 -0.421 18.615 9.967
142 H4* C 14 H4* C 14 0.715 18.043 7.952
143 H3* C 14 H3* C 14 -1.468 20.008 7.238
144 H2* C 14 H2* C 14 -0.308 20.104 5.072
145 2HO* C 14 2HO* C 14 1.584 18.919 4.727
146 H1* C 14 H1* C 14 -0.376 17.390 4.893
147 1H4 C 14 1H4 C 14 -5.936 19.439 2.507
148 2H4 C 14 2H4 C 14 -6.662 19.525 4.098
149 H5 C 14 H5 C 14 -5.341 19.014 6.172
150 H6 C 14 H6 C 14 -3.180 18.460 6.992
151 1H5* A 15 1H5* A 15 -0.446 23.305 5.648
152 2H5* A 15 2H5* A 15 0.720 21.968 5.537
153 H4* A 15 H4* A 15 1.046 24.896 4.962
154 H3* A 15 H3* A 15 0.716 22.786 3.285
155 H2* A 15 H2* A 15 2.362 21.363 4.211
156 2HO* A 15 2HO* A 15 3.882 21.185 2.639
157 H1* A 15 H1* A 15 4.312 23.620 4.247
158 H8 A 15 H8 A 15 2.823 20.895 6.560
159 1H6 A 15 1H6 A 15 8.608 20.266 8.690
160 2H6 A 15 2H6 A 15 6.954 19.664 8.766
161 H2 A 15 H2 A 15 8.597 23.565 5.681
162 1H5* C 16 1H5* C 16 1.068 22.354 0.480
163 2H5* C 16 2H5* C 16 1.203 23.740 -0.574
164 H4* C 16 H4* C 16 -0.085 22.069 -1.632
165 H3* C 16 H3* C 16 -1.131 24.578 -1.648
166 H2* C 16 H2* C 16 -2.279 24.409 0.426
167 2HO* C 16 2HO* C 16 -4.553 23.867 -0.127
168 H1* C 16 H1* C 16 -3.419 21.744 -0.326
169 1H4 C 16 1H4 C 16 -4.600 22.562 5.995
170 2H4 C 16 2H4 C 16 -2.914 22.250 6.367
171 H5 C 16 H5 C 16 -1.265 21.821 4.548
172 H6 C 16 H6 C 16 -0.884 21.794 2.213
173 1H5* G 17 1H5* G 17 -0.365 20.798 -5.000
174 2H5* G 17 2H5* G 17 -0.412 20.772 -3.239
175 H4* G 17 H4* G 17 2.067 21.270 -4.968
176 H3* G 17 H3* G 17 1.145 18.936 -3.251
177 H2* G 17 H2* G 17 3.381 18.515 -2.710
178 2HO* G 17 2HO* G 17 3.767 18.952 -5.168
179 H1* G 17 H1* G 17 4.230 21.227 -2.906
180 H8 G 17 H8 G 17 5.506 20.647 -0.682
181 H1 G 17 H1 G 17 0.125 18.659 2.180
182 1H2 G 17 1H2 G 17 -1.524 18.488 0.727
183 2H2 G 17 2H2 G 17 -1.311 18.975 -0.945
184 1H5* G 18 1H5* G 18 3.572 16.745 -4.290
185 2H5* G 18 2H5* G 18 3.091 15.061 -4.533
186 H4* G 18 H4* G 18 4.283 15.832 -2.297
187 H3* G 18 H3* G 18 1.890 13.989 -2.379
188 H2* G 18 H2* G 18 2.093 13.821 0.012
189 2HO* G 18 2HO* G 18 4.539 13.946 -0.310
190 H1* G 18 H1* G 18 2.483 16.495 0.448
191 H8 G 18 H8 G 18 -0.076 15.989 -2.336
192 H1 G 18 H1 G 18 -2.432 14.915 3.550
193 1H2 G 18 1H2 G 18 -0.725 14.708 5.012
194 2H2 G 18 2H2 G 18 0.936 14.995 4.523
195 1H5* U 19 1H5* U 19 4.780 12.213 0.365
196 2H5* U 19 2H5* U 19 4.711 10.453 0.282
197 H4* U 19 H4* U 19 4.214 11.490 2.535
198 H3* U 19 H3* U 19 2.098 9.676 1.323
199 H2* U 19 H2* U 19 0.997 9.885 3.465
200 2HO* U 19 2HO* U 19 2.985 9.839 4.673
201 H1* U 19 H1* U 19 1.265 12.578 3.608
202 H3 U 19 H3 U 19 -3.154 11.868 2.511
203 H5 U 19 H5 U 19 -1.058 11.918 -1.139
204 H6 U 19 H6 U 19 0.984 11.838 0.074
205 1H5* A 20 1H5* A 20 3.539 7.851 5.037
206 2H5* A 20 2H5* A 20 3.329 6.090 5.034
207 H4* A 20 H4* A 20 2.030 7.291 6.794
208 H3* A 20 H3* A 20 0.339 5.743 4.764
209 H2* A 20 H2* A 20 -1.500 6.331 6.117
210 2HO* A 20 2HO* A 20 0.038 6.297 8.087
211 H1* A 20 H1* A 20 -0.973 8.825 6.327
212 H8 A 20 H8 A 20 0.389 7.923 2.831
213 1H6 A 20 1H6 A 20 -5.211 9.170 0.674
214 2H6 A 20 2H6 A 20 -3.542 8.782 0.339
215 H2 A 20 H2 A 20 -5.494 8.996 5.198
216 1H5* C 21 1H5* C 21 -1.356 5.057 8.280
217 2H5* C 21 2H5* C 21 -1.728 3.429 8.587
218 H4* C 21 H4* C 21 -3.720 4.825 8.723
219 H3* C 21 H3* C 21 -3.825 2.951 6.316
220 H2* C 21 H2* C 21 -6.035 3.806 5.990
221 2HO* C 21 2HO* C 21 -6.352 3.913 8.373
222 H1* C 21 H1* C 21 -5.300 6.421 6.282
223 1H4 C 21 1H4 C 21 -4.876 5.773 0.076
224 2H4 C 21 2H4 C 21 -3.176 5.346 0.170
225 H5 C 21 H5 C 21 -2.064 4.884 2.391
226 H6 C 21 H6 C 21 -2.400 4.876 4.758
227 1H5* C 22 1H5* C 22 -7.414 2.242 8.592
228 2H5* C 22 2H5* C 22 -7.954 0.557 8.443
229 H4* C 22 H4* C 22 -9.559 2.296 7.515
230 H3* C 22 H3* C 22 -8.450 0.192 5.627
231 H2* C 22 H2* C 22 -9.871 1.124 3.948
232 2HO* C 22 2HO* C 22 -11.508 1.500 5.763
233 H1* C 22 H1* C 22 -9.366 3.755 4.598
234 1H4 C 22 1H4 C 22 -5.765 2.693 -0.457
235 2H4 C 22 2H4 C 22 -4.435 2.088 0.505
236 H5 C 22 H5 C 22 -4.636 1.858 3.028
237 H6 C 22 H6 C 22 -6.142 2.038 4.873
238 1H5* U 23 1H5* U 23 -12.559 0.134 4.668
239 2H5* U 23 2H5* U 23 -13.079 -1.530 4.370
240 H4* U 23 H4* U 23 -13.333 -0.030 2.391
241 H3* U 23 H3* U 23 -11.386 -2.337 2.111
242 H2* U 23 H2* U 23 -11.243 -1.717 -0.233
243 2HO* U 23 2HO* U 23 -13.553 -1.214 -0.314
244 H1* U 23 H1* U 23 -11.097 0.968 0.261
245 H3 U 23 H3 U 23 -6.954 -0.027 -1.258
246 H5 U 23 H5 U 23 -6.940 -1.357 2.741
247 H6 U 23 H6 U 23 -9.302 -0.911 2.847
248 1H5* U 24 1H5* U 24 -14.484 -2.431 -1.126
249 2H5* U 24 2H5* U 24 -14.749 -4.101 -1.646
250 H4* U 24 H4* U 24 -14.004 -2.501 -3.479
251 H3* U 24 H3* U 24 -12.248 -4.887 -2.848
252 H2* U 24 H2* U 24 -11.034 -4.294 -4.845
253 2HO* U 24 2HO* U 24 -11.734 -2.733 -6.254
254 H1* U 24 H1* U 24 -11.019 -1.590 -4.231
255 H3 U 24 H3 U 24 -6.689 -2.873 -3.856
256 H5 U 24 H5 U 24 -8.472 -4.260 -0.325
257 H6 U 24 H6 U 24 -10.654 -3.724 -1.250
258 1H5* U 25 1H5* U 25 -13.162 -5.027 -6.993
259 2H5* U 25 2H5* U 25 -13.362 -6.692 -7.562
260 H4* U 25 H4* U 25 -11.605 -5.474 -8.807
261 H3* U 25 H3* U 25 -10.591 -7.785 -7.104
262 H2* U 25 H2* U 25 -8.496 -7.451 -8.195
263 2HO* U 25 2HO* U 25 -9.663 -6.959 -10.247
264 H1* U 25 H1* U 25 -8.551 -4.717 -7.940
265 H3 U 25 H3 U 25 -5.360 -6.071 -4.968
266 H5 U 25 H5 U 25 -8.978 -6.721 -2.972
267 H6 U 25 H6 U 25 -10.156 -6.280 -5.030
268 1H5* G 26 1H5* G 26 -9.557 -8.860 -11.106
269 2H5* G 26 2H5* G 26 -9.585 -10.622 -11.318
270 H4* G 26 H4* G 26 -7.331 -9.545 -11.649
271 H3* G 26 H3* G 26 -7.592 -11.557 -9.392
272 H2* G 26 H2* G 26 -5.184 -11.352 -9.162
273 2HO* G 26 2HO* G 26 -5.019 -11.146 -11.565
274 H1* G 26 H1* G 26 -5.218 -8.603 -9.317
275 H8 G 26 H8 G 26 -8.256 -9.402 -7.249
276 H1 G 26 H1 G 26 -2.699 -10.247 -4.115
277 1H2 G 26 1H2 G 26 -0.983 -10.350 -5.649
278 2H2 G 26 2H2 G 26 -1.311 -10.086 -7.354
279 1H5* U 27 1H5* U 27 -4.240 -12.799 -12.026
280 2H5* U 27 2H5* U 27 -4.155 -14.566 -12.073
281 H4* U 27 H4* U 27 -2.038 -13.418 -11.354
282 H3* U 27 H3* U 27 -3.291 -15.297 -9.313
283 H2* U 27 H2* U 27 -1.267 -15.016 -8.110
284 2HO* U 27 2HO* U 27 0.069 -14.953 -10.048
285 H1* U 27 H1* U 27 -1.256 -12.304 -8.361
286 H3 U 27 H3 U 27 -2.357 -13.397 -4.035
287 H5 U 27 H5 U 27 -5.983 -13.488 -6.179
288 H6 U 27 H6 U 27 -4.729 -13.315 -8.218
289 1H5* G 28 1H5* G 28 0.762 -16.749 -10.242
290 2H5* G 28 2H5* G 28 0.945 -18.464 -9.835
291 H4* G 28 H4* G 28 2.389 -16.759 -8.575
292 H3* G 28 H3* G 28 0.785 -18.748 -6.991
293 H2* G 28 H2* G 28 1.901 -17.779 -5.041
294 2HO* G 28 2HO* G 28 3.860 -17.463 -6.515
295 H1* G 28 H1* G 28 1.388 -15.198 -5.759
296 H8 G 28 H8 G 28 -1.685 -16.821 -7.042
297 H1 G 28 H1 G 28 -1.697 -16.393 -0.640
298 1H2 G 28 1H2 G 28 0.389 -16.069 0.136
299 2H2 G 28 2H2 G 28 1.748 -15.908 -0.949
300 1H5* U 29 1H5* U 29 4.673 -19.053 -5.577
301 2H5* U 29 2H5* U 29 5.188 -20.727 -5.295
302 H4* U 29 H4* U 29 5.239 -19.387 -3.231
303 H3* U 29 H3* U 29 3.132 -21.584 -3.262
304 H2* U 29 H2* U 29 2.737 -21.076 -0.980
305 2HO* U 29 2HO* U 29 5.144 -20.605 -0.780
306 H1* U 29 H1* U 29 2.663 -18.367 -1.359
307 H3 U 29 H3 U 29 -1.743 -19.589 -0.777
308 H5 U 29 H5 U 29 -0.951 -19.899 -4.896
309 H6 U 29 H6 U 29 1.344 -19.661 -4.449
310 1H5* C 30 1H5* C 30 5.520 -22.312 0.035
311 2H5* C 30 2H5* C 30 5.830 -24.041 0.259
312 H4* C 30 H4* C 30 4.734 -23.019 2.211
313 H3* C 30 H3* C 30 3.008 -24.993 0.658
314 H2* C 30 H2* C 30 1.433 -24.830 2.452
315 2HO* C 30 2HO* C 30 3.489 -24.693 3.915
316 H1* C 30 H1* C 30 1.829 -22.082 2.817
317 1H4 C 30 1H4 C 30 -3.607 -22.300 -0.341
318 2H4 C 30 2H4 C 30 -2.807 -22.386 -1.898
319 H5 C 30 H5 C 30 -0.299 -22.859 -2.045
320 H6 C 30 H6 C 30 1.711 -23.023 -0.736
321 H3T C 30 HE C 30 3.838 -26.450 2.077
Start of MODEL 16
1 1H5* G 1 1H5* G 1 -11.730 -20.908 7.499
2 2H5* G 1 2H5* G 1 -11.340 -19.178 7.490
3 H4* G 1 H4* G 1 -9.707 -20.442 8.805
4 H3* G 1 H3* G 1 -8.606 -19.306 6.219
5 H2* G 1 H2* G 1 -6.432 -19.945 7.095
6 2HO* G 1 2HO* G 1 -7.104 -19.434 9.323
7 H1* G 1 H1* G 1 -7.238 -22.459 7.696
8 H8 G 1 H8 G 1 -9.323 -21.713 4.677
9 H1 G 1 H1 G 1 -3.083 -22.035 3.181
10 1H2 G 1 1H2 G 1 -1.852 -22.137 5.092
11 2H2 G 1 2H2 G 1 -2.628 -22.239 6.668
12 1H5* G 2 1H5* G 2 -6.223 -17.812 9.496
13 2H5* G 2 2H5* G 2 -5.604 -16.198 9.156
14 H4* G 2 H4* G 2 -3.913 -18.076 9.702
15 H3* G 2 H3* G 2 -3.554 -16.354 7.269
16 H2* G 2 H2* G 2 -1.541 -17.540 6.783
17 2HO* G 2 2HO* G 2 -1.165 -17.758 9.162
18 H1* G 2 H1* G 2 -2.648 -20.001 7.065
19 H8 G 2 H8 G 2 -5.686 -18.630 5.625
20 H1 G 2 H1 G 2 -0.892 -18.424 1.361
21 1H2 G 2 1H2 G 2 1.076 -18.588 2.418
22 2H2 G 2 2H2 G 2 1.170 -18.708 4.174
23 1H5* C 3 1H5* C 3 -2.661 -12.332 7.846
24 2H5* C 3 2H5* C 3 -3.545 -13.051 6.510
25 H4* C 3 H4* C 3 -0.844 -13.970 7.616
26 H3* C 3 H3* C 3 -1.818 -12.490 5.158
27 H2* C 3 H2* C 3 0.049 -13.351 3.942
28 2HO* C 3 2HO* C 3 1.321 -13.234 6.057
29 H1* C 3 H1* C 3 -0.358 -15.908 4.760
30 1H4 C 3 1H4 C 3 -4.129 -15.452 -0.379
31 2H4 C 3 2H4 C 3 -5.482 -15.088 0.660
32 H5 C 3 H5 C 3 -5.244 -14.738 3.102
33 H6 C 3 H6 C 3 -3.674 -14.675 4.920
34 1H5* A 4 1H5* A 4 2.217 -11.372 5.407
35 2H5* A 4 2H5* A 4 2.462 -9.651 5.040
36 H4* A 4 H4* A 4 3.633 -11.201 3.453
37 H3* A 4 H3* A 4 1.458 -9.405 2.336
38 H2* A 4 H2* A 4 2.015 -10.238 0.167
39 2HO* A 4 2HO* A 4 4.343 -10.214 0.830
40 H1* A 4 H1* A 4 2.219 -12.863 0.927
41 H8 A 4 H8 A 4 -0.721 -11.450 2.857
42 1H6 A 4 1H6 A 4 -4.090 -12.812 -2.155
43 2H6 A 4 2H6 A 4 -4.101 -12.370 -0.455
44 H2 A 4 H2 A 4 0.246 -12.992 -3.312
45 1H5* C 5 1H5* C 5 4.965 -8.411 -0.099
46 2H5* C 5 2H5* C 5 4.864 -6.705 -0.583
47 H4* C 5 H4* C 5 4.743 -8.353 -2.502
48 H3* C 5 H3* C 5 2.312 -6.599 -2.035
49 H2* C 5 H2* C 5 1.454 -7.532 -4.063
50 2HO* C 5 2HO* C 5 2.643 -8.736 -5.459
51 H1* C 5 H1* C 5 2.192 -10.120 -3.433
52 1H4 C 5 1H4 C 5 -3.983 -9.389 -2.099
53 2H4 C 5 2H4 C 5 -3.631 -8.655 -0.548
54 H5 C 5 H5 C 5 -1.272 -8.230 0.216
55 H6 C 5 H6 C 5 1.030 -8.301 -0.468
56 1H5* U 6 1H5* U 6 3.095 -6.148 -6.083
57 2H5* U 6 2H5* U 6 2.810 -4.525 -6.717
58 H4* U 6 H4* U 6 1.425 -6.341 -7.786
59 H3* U 6 H3* U 6 -0.025 -4.086 -6.393
60 H2* U 6 H2* U 6 -2.103 -5.095 -7.018
61 2HO* U 6 2HO* U 6 -1.067 -5.686 -9.123
62 H1* U 6 H1* U 6 -1.388 -7.657 -6.441
63 H3 U 6 H3 U 6 -4.515 -6.329 -3.362
64 H5 U 6 H5 U 6 -0.763 -5.433 -1.684
65 H6 U 6 H6 U 6 0.236 -5.804 -3.814
66 1H5* C 7 1H5* C 7 -0.687 -3.225 -10.754
67 2H5* C 7 2H5* C 7 -0.820 -1.496 -11.128
68 H4* C 7 H4* C 7 -3.066 -2.641 -10.759
69 H3* C 7 H3* C 7 -2.252 -0.473 -8.795
70 H2* C 7 H2* C 7 -4.421 -0.676 -7.887
71 2HO* C 7 2HO* C 7 -5.601 -0.614 -9.809
72 H1* C 7 H1* C 7 -4.607 -3.465 -8.475
73 1H4 C 7 1H4 C 7 -4.417 -3.065 -2.185
74 2H4 C 7 2H4 C 7 -2.672 -2.885 -2.124
75 H5 C 7 H5 C 7 -1.321 -2.697 -4.319
76 H6 C 7 H6 C 7 -1.561 -2.536 -6.701
77 1H5* U 8 1H5* U 8 -6.041 0.351 -11.525
78 2H5* U 8 2H5* U 8 -6.144 2.115 -11.692
79 H4* U 8 H4* U 8 -8.331 1.053 -11.106
80 H3* U 8 H3* U 8 -7.131 2.962 -9.075
81 H2* U 8 H2* U 8 -9.213 2.745 -7.886
82 2HO* U 8 2HO* U 8 -10.365 2.727 -9.998
83 H1* U 8 H1* U 8 -9.412 0.018 -8.233
84 H3 U 8 H3 U 8 -8.642 0.488 -3.759
85 H5 U 8 H5 U 8 -4.853 0.858 -5.566
86 H6 U 8 H6 U 8 -5.934 1.003 -7.711
87 1H5* G 9 1H5* G 9 -11.179 4.586 -9.932
88 2H5* G 9 2H5* G 9 -11.137 6.338 -9.659
89 H4* G 9 H4* G 9 -12.703 5.061 -8.146
90 H3* G 9 H3* G 9 -10.447 6.604 -6.839
91 H2* G 9 H2* G 9 -11.453 5.970 -4.719
92 2HO* G 9 2HO* G 9 -13.634 6.179 -5.736
93 H1* G 9 H1* G 9 -11.780 3.354 -5.396
94 H8 G 9 H8 G 9 -8.486 4.602 -6.933
95 H1 G 9 H1 G 9 -8.136 3.114 -0.693
96 1H2 G 9 1H2 G 9 -10.233 3.046 0.181
97 2H2 G 9 2H2 G 9 -11.637 3.103 -0.874
98 1H5* G 10 1H5* G 10 -14.287 7.679 -4.858
99 2H5* G 10 2H5* G 10 -14.210 9.336 -4.243
100 H4* G 10 H4* G 10 -14.655 7.497 -2.525
101 H3* G 10 H3* G 10 -12.324 9.388 -2.155
102 H2* G 10 H2* G 10 -11.948 8.304 -0.022
103 2HO* G 10 2HO* G 10 -14.373 8.133 0.191
104 H1* G 10 H1* G 10 -12.276 5.755 -0.962
105 H8 G 10 H8 G 10 -10.377 7.543 -3.700
106 H1 G 10 H1 G 10 -6.739 5.941 1.348
107 1H2 G 10 1H2 G 10 -8.068 5.619 3.162
108 2H2 G 10 2H2 G 10 -9.821 5.577 2.998
109 1H5* U 11 1H5* U 11 -14.551 9.377 1.685
110 2H5* U 11 2H5* U 11 -14.481 11.003 2.389
111 H4* U 11 H4* U 11 -13.431 9.200 3.844
112 H3* U 11 H3* U 11 -11.602 11.421 2.937
113 H2* U 11 H2* U 11 -10.023 10.377 4.432
114 2HO* U 11 2HO* U 11 -11.672 9.890 6.022
115 H1* U 11 H1* U 11 -10.495 7.846 3.572
116 H3 U 11 H3 U 11 -6.375 9.136 2.104
117 H5 U 11 H5 U 11 -9.080 10.575 -0.794
118 H6 U 11 H6 U 11 -10.878 10.062 0.703
119 1H5* A 12 1H5* A 12 -12.928 12.387 7.237
120 2H5* A 12 2H5* A 12 -12.409 13.993 7.768
121 H4* A 12 H4* A 12 -10.942 12.017 8.465
122 H3* A 12 H3* A 12 -9.718 14.323 6.965
123 H2* A 12 H2* A 12 -7.603 13.260 7.347
124 2HO* A 12 2HO* A 12 -8.023 12.679 9.525
125 H1* A 12 H1* A 12 -8.529 10.696 6.737
126 H8 A 12 H8 A 12 -10.076 13.145 4.375
127 1H6 A 12 1H6 A 12 -4.984 12.586 0.919
128 2H6 A 12 2H6 A 12 -6.663 13.099 0.986
129 H2 A 12 H2 A 12 -4.014 11.105 5.045
130 1H5* U 13 1H5* U 13 -6.447 15.731 11.236
131 2H5* U 13 2H5* U 13 -6.542 16.342 9.587
132 H4* U 13 H4* U 13 -4.898 14.040 10.657
133 H3* U 13 H3* U 13 -4.563 16.519 8.952
134 H2* U 13 H2* U 13 -2.831 15.573 7.684
135 2HO* U 13 2HO* U 13 -2.134 14.480 9.827
136 H1* U 13 H1* U 13 -4.000 13.123 7.353
137 H3 U 13 H3 U 13 -4.594 14.984 3.248
138 H5 U 13 H5 U 13 -7.913 16.140 5.579
139 H6 U 13 H6 U 13 -6.676 15.515 7.541
140 1H5* C 14 1H5* C 14 -0.874 16.329 9.603
141 2H5* C 14 2H5* C 14 -0.222 17.858 10.228
142 H4* C 14 H4* C 14 0.838 17.472 8.138
143 H3* C 14 H3* C 14 -1.442 19.393 7.631
144 H2* C 14 H2* C 14 -0.334 19.683 5.443
145 2HO* C 14 2HO* C 14 1.569 18.560 4.973
146 H1* C 14 H1* C 14 -0.342 16.983 5.084
147 1H4 C 14 1H4 C 14 -6.053 18.967 3.026
148 2H4 C 14 2H4 C 14 -6.722 18.923 4.643
149 H5 C 14 H5 C 14 -5.308 18.349 6.635
150 H6 C 14 H6 C 14 -3.099 17.834 7.347
151 1H5* A 15 1H5* A 15 -0.584 22.828 6.229
152 2H5* A 15 2H5* A 15 0.633 21.554 6.009
153 H4* A 15 H4* A 15 0.825 24.529 5.614
154 H3* A 15 H3* A 15 0.546 22.512 3.816
155 H2* A 15 H2* A 15 2.254 21.106 4.626
156 2HO* A 15 2HO* A 15 3.725 21.051 3.012
157 H1* A 15 H1* A 15 4.121 23.444 4.748
158 H8 A 15 H8 A 15 2.979 20.278 6.648
159 1H6 A 15 1H6 A 15 8.566 20.429 9.299
160 2H6 A 15 2H6 A 15 7.067 19.525 9.106
161 H2 A 15 H2 A 15 8.151 24.085 6.769
162 1H5* C 16 1H5* C 16 0.829 22.233 1.000
163 2H5* C 16 2H5* C 16 0.928 23.690 0.038
164 H4* C 16 H4* C 16 -0.331 22.090 -1.133
165 H3* C 16 H3* C 16 -1.432 24.563 -0.903
166 H2* C 16 H2* C 16 -2.606 24.203 1.134
167 2HO* C 16 2HO* C 16 -4.136 23.710 -1.147
168 H1* C 16 H1* C 16 -3.655 21.573 0.176
169 1H4 C 16 1H4 C 16 -4.708 21.768 6.568
170 2H4 C 16 2H4 C 16 -2.989 21.596 6.883
171 H5 C 16 H5 C 16 -1.366 21.403 5.010
172 H6 C 16 H6 C 16 -1.040 21.578 2.673
173 1H5* G 17 1H5* G 17 -0.646 21.087 -4.571
174 2H5* G 17 2H5* G 17 -0.683 20.922 -2.817
175 H4* G 17 H4* G 17 1.775 21.598 -4.516
176 H3* G 17 H3* G 17 0.918 19.119 -2.977
177 H2* G 17 H2* G 17 3.166 18.704 -2.495
178 2HO* G 17 2HO* G 17 3.513 19.326 -4.916
179 H1* G 17 H1* G 17 3.959 21.447 -2.509
180 H8 G 17 H8 G 17 5.303 20.743 -0.365
181 H1 G 17 H1 G 17 0.048 18.414 2.478
182 1H2 G 17 1H2 G 17 -1.629 18.301 1.059
183 2H2 G 17 2H2 G 17 -1.472 18.889 -0.586
184 1H5* G 18 1H5* G 18 3.352 17.061 -4.222
185 2H5* G 18 2H5* G 18 2.892 15.397 -4.606
186 H4* G 18 H4* G 18 4.099 15.995 -2.325
187 H3* G 18 H3* G 18 1.730 14.124 -2.519
188 H2* G 18 H2* G 18 1.995 13.768 -0.149
189 2HO* G 18 2HO* G 18 4.421 13.943 -0.493
190 H1* G 18 H1* G 18 2.351 16.405 0.486
191 H8 G 18 H8 G 18 -0.272 16.064 -2.269
192 H1 G 18 H1 G 18 -2.439 14.552 3.598
193 1H2 G 18 1H2 G 18 -0.685 14.283 4.994
194 2H2 G 18 2H2 G 18 0.956 14.625 4.472
195 1H5* U 19 1H5* U 19 4.773 12.201 0.001
196 2H5* U 19 2H5* U 19 4.714 10.449 -0.192
197 H4* U 19 H4* U 19 4.303 11.361 2.145
198 H3* U 19 H3* U 19 2.211 9.536 0.911
199 H2* U 19 H2* U 19 1.176 9.585 3.097
200 2HO* U 19 2HO* U 19 3.241 9.549 4.201
201 H1* U 19 H1* U 19 1.370 12.275 3.398
202 H3 U 19 H3 U 19 -3.076 11.575 2.446
203 H5 U 19 H5 U 19 -1.139 11.829 -1.280
204 H6 U 19 H6 U 19 0.957 11.698 -0.159
205 1H5* A 20 1H5* A 20 3.841 7.508 4.462
206 2H5* A 20 2H5* A 20 3.679 5.745 4.336
207 H4* A 20 H4* A 20 2.393 6.789 6.206
208 H3* A 20 H3* A 20 0.684 5.333 4.127
209 H2* A 20 H2* A 20 -1.125 5.799 5.569
210 2HO* A 20 2HO* A 20 0.436 5.665 7.495
211 H1* A 20 H1* A 20 -0.649 8.287 5.924
212 H8 A 20 H8 A 20 0.622 7.616 2.342
213 1H6 A 20 1H6 A 20 -5.054 8.912 0.420
214 2H6 A 20 2H6 A 20 -3.396 8.551 0.012
215 H2 A 20 H2 A 20 -5.196 8.495 4.937
216 1H5* C 21 1H5* C 21 -0.875 4.401 7.682
217 2H5* C 21 2H5* C 21 -1.244 2.761 7.899
218 H4* C 21 H4* C 21 -3.219 4.151 8.194
219 H3* C 21 H3* C 21 -3.431 2.414 5.694
220 H2* C 21 H2* C 21 -5.646 3.295 5.501
221 2HO* C 21 2HO* C 21 -5.852 3.288 7.906
222 H1* C 21 H1* C 21 -4.894 5.885 5.891
223 1H4 C 21 1H4 C 21 -4.665 5.527 -0.354
224 2H4 C 21 2H4 C 21 -2.965 5.094 -0.333
225 H5 C 21 H5 C 21 -1.782 4.538 1.828
226 H6 C 21 H6 C 21 -2.040 4.418 4.198
227 1H5* C 22 1H5* C 22 -6.953 1.684 8.070
228 2H5* C 22 2H5* C 22 -7.540 0.019 7.875
229 H4* C 22 H4* C 22 -9.136 1.837 7.079
230 H3* C 22 H3* C 22 -8.160 -0.248 5.100
231 H2* C 22 H2* C 22 -9.598 0.761 3.493
232 2HO* C 22 2HO* C 22 -11.176 1.127 5.355
233 H1* C 22 H1* C 22 -9.021 3.365 4.184
234 1H4 C 22 1H4 C 22 -5.608 2.439 -1.006
235 2H4 C 22 2H4 C 22 -4.246 1.799 -0.111
236 H5 C 22 H5 C 22 -4.370 1.483 2.412
237 H6 C 22 H6 C 22 -5.819 1.601 4.305
238 1H5* U 23 1H5* U 23 -12.335 -0.159 4.333
239 2H5* U 23 2H5* U 23 -12.905 -1.799 3.986
240 H4* U 23 H4* U 23 -13.186 -0.196 2.086
241 H3* U 23 H3* U 23 -11.343 -2.561 1.628
242 H2* U 23 H2* U 23 -11.262 -1.836 -0.692
243 2HO* U 23 2HO* U 23 -13.589 -1.207 -0.531
244 H1* U 23 H1* U 23 -10.969 0.811 -0.083
245 H3 U 23 H3 U 23 -6.898 -0.247 -1.733
246 H5 U 23 H5 U 23 -6.850 -1.761 2.199
247 H6 U 23 H6 U 23 -9.196 -1.268 2.366
248 1H5* U 24 1H5* U 24 -14.477 -2.391 -1.524
249 2H5* U 24 2H5* U 24 -14.839 -4.031 -2.081
250 H4* U 24 H4* U 24 -14.080 -2.472 -3.899
251 H3* U 24 H3* U 24 -12.336 -4.887 -3.312
252 H2* U 24 H2* U 24 -11.161 -4.288 -5.349
253 2HO* U 24 2HO* U 24 -13.316 -3.630 -6.278
254 H1* U 24 H1* U 24 -11.097 -1.590 -4.737
255 H3 U 24 H3 U 24 -6.760 -2.846 -4.311
256 H5 U 24 H5 U 24 -8.583 -4.373 -0.860
257 H6 U 24 H6 U 24 -10.752 -3.807 -1.792
258 1H5* U 25 1H5* U 25 -13.330 -5.158 -7.482
259 2H5* U 25 2H5* U 25 -13.546 -6.861 -7.923
260 H4* U 25 H4* U 25 -11.778 -5.744 -9.252
261 H3* U 25 H3* U 25 -10.776 -7.942 -7.395
262 H2* U 25 H2* U 25 -8.698 -7.704 -8.534
263 2HO* U 25 2HO* U 25 -9.890 -7.367 -10.596
264 H1* U 25 H1* U 25 -8.740 -4.953 -8.483
265 H3 U 25 H3 U 25 -5.479 -6.169 -5.512
266 H5 U 25 H5 U 25 -9.055 -6.653 -3.387
267 H6 U 25 H6 U 25 -10.283 -6.293 -5.436
268 1H5* G 26 1H5* G 26 -9.802 -9.294 -11.330
269 2H5* G 26 2H5* G 26 -9.820 -11.068 -11.403
270 H4* G 26 H4* G 26 -7.580 -10.012 -11.854
271 H3* G 26 H3* G 26 -7.794 -11.834 -9.438
272 H2* G 26 H2* G 26 -5.384 -11.595 -9.264
273 2HO* G 26 2HO* G 26 -5.253 -11.592 -11.674
274 H1* G 26 H1* G 26 -5.436 -8.871 -9.643
275 H8 G 26 H8 G 26 -8.444 -9.591 -7.464
276 H1 G 26 H1 G 26 -2.821 -9.991 -4.360
277 1H2 G 26 1H2 G 26 -1.127 -10.157 -5.900
278 2H2 G 26 2H2 G 26 -1.473 -10.021 -7.618
279 1H5* U 27 1H5* U 27 -4.494 -13.267 -12.019
280 2H5* U 27 2H5* U 27 -4.381 -15.031 -11.920
281 H4* U 27 H4* U 27 -2.275 -13.806 -11.323
282 H3* U 27 H3* U 27 -3.486 -15.502 -9.105
283 H2* U 27 H2* U 27 -1.447 -15.090 -7.956
284 2HO* U 27 2HO* U 27 -0.153 -15.187 -9.930
285 H1* U 27 H1* U 27 -1.478 -12.412 -8.447
286 H3 U 27 H3 U 27 -2.549 -13.185 -4.033
287 H5 U 27 H5 U 27 -6.180 -13.502 -6.144
288 H6 U 27 H6 U 27 -4.937 -13.463 -8.195
289 1H5* G 28 1H5* G 28 0.546 -17.008 -9.946
290 2H5* G 28 2H5* G 28 0.734 -18.686 -9.413
291 H4* G 28 H4* G 28 2.193 -16.895 -8.302
292 H3* G 28 H3* G 28 0.594 -18.746 -6.551
293 H2* G 28 H2* G 28 1.736 -17.639 -4.694
294 2HO* G 28 2HO* G 28 3.683 -17.462 -6.189
295 H1* G 28 H1* G 28 1.221 -15.119 -5.606
296 H8 G 28 H8 G 28 -1.873 -16.800 -6.743
297 H1 G 28 H1 G 28 -1.820 -15.974 -0.380
298 1H2 G 28 1H2 G 28 0.275 -15.622 0.356
299 2H2 G 28 2H2 G 28 1.627 -15.543 -0.749
300 1H5* U 29 1H5* U 29 4.513 -19.066 -5.207
301 2H5* U 29 2H5* U 29 4.988 -20.733 -4.828
302 H4* U 29 H4* U 29 5.123 -19.263 -2.860
303 H3* U 29 H3* U 29 2.951 -21.389 -2.688
304 H2* U 29 H2* U 29 2.635 -20.707 -0.435
305 2HO* U 29 2HO* U 29 5.051 -20.293 -0.317
306 H1* U 29 H1* U 29 2.610 -18.036 -1.009
307 H3 U 29 H3 U 29 -1.805 -19.192 -0.248
308 H5 U 29 H5 U 29 -1.109 -19.739 -4.357
309 H6 U 29 H6 U 29 1.199 -19.488 -3.978
310 1H5* C 30 1H5* C 30 5.467 -21.929 0.595
311 2H5* C 30 2H5* C 30 5.705 -23.643 0.975
312 H4* C 30 H4* C 30 4.719 -22.325 2.842
313 H3* C 30 H3* C 30 2.973 -24.507 1.626
314 H2* C 30 H2* C 30 1.408 -24.095 3.365
315 2HO* C 30 2HO* C 30 1.974 -22.833 5.188
316 H1* C 30 H1* C 30 1.828 -21.309 3.404
317 1H4 C 30 1H4 C 30 -3.704 -21.837 0.485
318 2H4 C 30 2H4 C 30 -2.942 -22.035 -1.081
319 H5 C 30 H5 C 30 -0.448 -22.532 -1.264
320 H6 C 30 H6 C 30 1.600 -22.608 -0.008
321 H3T C 30 HE C 30 4.149 -24.503 4.159
Start of MODEL 17
1 1H5* G 1 1H5* G 1 -11.734 -23.314 6.850
2 2H5* G 1 2H5* G 1 -11.852 -21.553 7.033
3 H4* G 1 H4* G 1 -9.869 -22.436 8.189
4 H3* G 1 H3* G 1 -9.277 -20.708 5.779
5 H2* G 1 H2* G 1 -6.968 -20.825 6.476
6 2HO* G 1 2HO* G 1 -7.743 -20.791 8.791
7 H1* G 1 H1* G 1 -7.001 -23.505 6.946
8 H8 G 1 H8 G 1 -9.207 -22.997 3.905
9 H1 G 1 H1 G 1 -2.936 -22.385 2.629
10 1H2 G 1 1H2 G 1 -1.783 -22.241 4.596
11 2H2 G 1 2H2 G 1 -2.610 -22.380 6.143
12 1H5* G 2 1H5* G 2 -6.988 -19.113 9.031
13 2H5* G 2 2H5* G 2 -6.929 -17.350 8.920
14 H4* G 2 H4* G 2 -4.658 -18.475 8.859
15 H3* G 2 H3* G 2 -5.435 -16.864 6.413
16 H2* G 2 H2* G 2 -3.145 -17.135 5.833
17 2HO* G 2 2HO* G 2 -2.495 -16.878 8.132
18 H1* G 2 H1* G 2 -3.050 -19.806 6.562
19 H8 G 2 H8 G 2 -6.292 -19.343 4.715
20 H1 G 2 H1 G 2 -1.114 -18.861 0.888
21 1H2 G 2 1H2 G 2 0.734 -18.847 2.134
22 2H2 G 2 2H2 G 2 0.665 -18.954 3.889
23 1H5* C 3 1H5* C 3 -2.015 -15.210 8.364
24 2H5* C 3 2H5* C 3 -1.724 -13.498 8.035
25 H4* C 3 H4* C 3 -0.008 -15.252 7.249
26 H3* C 3 H3* C 3 -1.128 -13.177 5.301
27 H2* C 3 H2* C 3 0.471 -13.963 3.706
28 2HO* C 3 2HO* C 3 2.067 -14.208 5.510
29 H1* C 3 H1* C 3 0.016 -16.613 4.245
30 1H4 C 3 1H4 C 3 -3.892 -15.822 -0.623
31 2H4 C 3 2H4 C 3 -5.197 -15.389 0.458
32 H5 C 3 H5 C 3 -4.829 -14.985 2.893
33 H6 C 3 H6 C 3 -3.197 -15.012 4.631
34 1H5* A 4 1H5* A 4 3.034 -12.199 5.340
35 2H5* A 4 2H5* A 4 3.248 -10.448 5.140
36 H4* A 4 H4* A 4 4.204 -11.832 3.279
37 H3* A 4 H3* A 4 1.947 -9.935 2.540
38 H2* A 4 H2* A 4 2.395 -10.533 0.268
39 2HO* A 4 2HO* A 4 4.738 -10.552 0.701
40 H1* A 4 H1* A 4 2.622 -13.222 0.785
41 H8 A 4 H8 A 4 -0.220 -11.884 2.922
42 1H6 A 4 1H6 A 4 -3.764 -12.967 -2.056
43 2H6 A 4 2H6 A 4 -3.737 -12.604 -0.335
44 H2 A 4 H2 A 4 0.520 -13.142 -3.343
45 1H5* C 5 1H5* C 5 5.391 -8.578 0.074
46 2H5* C 5 2H5* C 5 5.178 -6.858 -0.312
47 H4* C 5 H4* C 5 5.121 -8.454 -2.294
48 H3* C 5 H3* C 5 2.650 -6.760 -1.794
49 H2* C 5 H2* C 5 1.834 -7.681 -3.872
50 2HO* C 5 2HO* C 5 4.140 -7.611 -4.692
51 H1* C 5 H1* C 5 2.591 -10.260 -3.283
52 1H4 C 5 1H4 C 5 -3.582 -9.587 -1.859
53 2H4 C 5 2H4 C 5 -3.212 -8.913 -0.289
54 H5 C 5 H5 C 5 -0.842 -8.514 0.465
55 H6 C 5 H6 C 5 1.445 -8.550 -0.249
56 1H5* U 6 1H5* U 6 3.315 -6.205 -5.896
57 2H5* U 6 2H5* U 6 2.962 -4.565 -6.441
58 H4* U 6 H4* U 6 1.594 -6.414 -7.506
59 H3* U 6 H3* U 6 0.151 -4.177 -6.077
60 H2* U 6 H2* U 6 -1.927 -5.198 -6.664
61 2HO* U 6 2HO* U 6 -0.905 -5.779 -8.790
62 H1* U 6 H1* U 6 -1.181 -7.759 -6.113
63 H3 U 6 H3 U 6 -4.234 -6.479 -2.933
64 H5 U 6 H5 U 6 -0.429 -5.647 -1.343
65 H6 U 6 H6 U 6 0.509 -5.987 -3.503
66 1H5* C 7 1H5* C 7 -0.770 -3.317 -10.329
67 2H5* C 7 2H5* C 7 -0.867 -1.585 -10.707
68 H4* C 7 H4* C 7 -3.138 -2.699 -10.298
69 H3* C 7 H3* C 7 -2.259 -0.528 -8.364
70 H2* C 7 H2* C 7 -4.408 -0.716 -7.397
71 2HO* C 7 2HO* C 7 -5.623 -0.669 -9.306
72 H1* C 7 H1* C 7 -4.621 -3.505 -7.964
73 1H4 C 7 1H4 C 7 -4.192 -3.172 -1.695
74 2H4 C 7 2H4 C 7 -2.434 -3.129 -1.701
75 H5 C 7 H5 C 7 -1.165 -2.945 -3.943
76 H6 C 7 H6 C 7 -1.489 -2.725 -6.306
77 1H5* U 8 1H5* U 8 -6.101 0.223 -11.047
78 2H5* U 8 2H5* U 8 -6.232 1.982 -11.243
79 H4* U 8 H4* U 8 -8.404 0.889 -10.655
80 H3* U 8 H3* U 8 -7.253 2.864 -8.661
81 H2* U 8 H2* U 8 -9.343 2.642 -7.480
82 2HO* U 8 2HO* U 8 -10.468 2.544 -9.611
83 H1* U 8 H1* U 8 -9.488 -0.098 -7.764
84 H3 U 8 H3 U 8 -8.764 0.602 -3.292
85 H5 U 8 H5 U 8 -4.962 0.851 -5.087
86 H6 U 8 H6 U 8 -6.021 0.887 -7.242
87 1H5* G 9 1H5* G 9 -11.321 4.378 -9.601
88 2H5* G 9 2H5* G 9 -11.314 6.141 -9.407
89 H4* G 9 H4* G 9 -12.880 4.912 -7.856
90 H3* G 9 H3* G 9 -10.654 6.540 -6.600
91 H2* G 9 H2* G 9 -11.674 6.000 -4.463
92 2HO* G 9 2HO* G 9 -13.846 6.157 -5.484
93 H1* G 9 H1* G 9 -11.993 3.350 -5.030
94 H8 G 9 H8 G 9 -8.670 4.534 -6.554
95 H1 G 9 H1 G 9 -8.459 3.336 -0.245
96 1H2 G 9 1H2 G 9 -10.577 3.242 0.573
97 2H2 G 9 2H2 G 9 -11.949 3.226 -0.527
98 1H5* G 10 1H5* G 10 -14.533 7.712 -4.726
99 2H5* G 10 2H5* G 10 -14.468 9.413 -4.241
100 H4* G 10 H4* G 10 -14.936 7.738 -2.381
101 H3* G 10 H3* G 10 -12.559 9.597 -2.153
102 H2* G 10 H2* G 10 -12.213 8.678 0.057
103 2HO* G 10 2HO* G 10 -14.635 8.590 0.289
104 H1* G 10 H1* G 10 -12.613 6.071 -0.678
105 H8 G 10 H8 G 10 -10.639 7.658 -3.506
106 H1 G 10 H1 G 10 -7.106 6.253 1.674
107 1H2 G 10 1H2 G 10 -8.473 6.027 3.478
108 2H2 G 10 2H2 G 10 -10.223 5.993 3.283
109 1H5* U 11 1H5* U 11 -14.775 9.945 1.697
110 2H5* U 11 2H5* U 11 -14.626 11.613 2.277
111 H4* U 11 H4* U 11 -13.650 9.867 3.851
112 H3* U 11 H3* U 11 -11.738 11.954 2.806
113 H2* U 11 H2* U 11 -10.194 10.956 4.364
114 2HO* U 11 2HO* U 11 -11.833 10.636 5.991
115 H1* U 11 H1* U 11 -10.764 8.386 3.672
116 H3 U 11 H3 U 11 -6.600 9.485 2.161
117 H5 U 11 H5 U 11 -9.248 10.857 -0.822
118 H6 U 11 H6 U 11 -11.066 10.446 0.676
119 1H5* A 12 1H5* A 12 -13.116 13.241 7.032
120 2H5* A 12 2H5* A 12 -12.554 14.859 7.476
121 H4* A 12 H4* A 12 -11.167 12.886 8.320
122 H3* A 12 H3* A 12 -9.836 15.060 6.718
123 H2* A 12 H2* A 12 -7.769 13.961 7.211
124 2HO* A 12 2HO* A 12 -8.254 13.524 9.411
125 H1* A 12 H1* A 12 -8.755 11.392 6.736
126 H8 A 12 H8 A 12 -10.186 13.733 4.198
127 1H6 A 12 1H6 A 12 -5.048 12.837 0.888
128 2H6 A 12 2H6 A 12 -6.716 13.391 0.889
129 H2 A 12 H2 A 12 -4.200 11.579 5.116
130 1H5* U 13 1H5* U 13 -6.655 16.605 11.031
131 2H5* U 13 2H5* U 13 -6.671 17.140 9.353
132 H4* U 13 H4* U 13 -5.127 14.859 10.594
133 H3* U 13 H3* U 13 -4.674 17.219 8.756
134 H2* U 13 H2* U 13 -2.935 16.152 7.595
135 2HO* U 13 2HO* U 13 -2.334 15.165 9.822
136 H1* U 13 H1* U 13 -4.170 13.717 7.380
137 H3 U 13 H3 U 13 -4.592 15.335 3.155
138 H5 U 13 H5 U 13 -7.926 16.753 5.315
139 H6 U 13 H6 U 13 -6.768 16.202 7.344
140 1H5* C 14 1H5* C 14 -0.992 16.929 9.501
141 2H5* C 14 2H5* C 14 -0.293 18.468 10.046
142 H4* C 14 H4* C 14 0.790 17.904 8.003
143 H3* C 14 H3* C 14 -1.382 19.912 7.365
144 H2* C 14 H2* C 14 -0.249 20.022 5.167
145 2HO* C 14 2HO* C 14 1.610 18.809 4.793
146 H1* C 14 H1* C 14 -0.359 17.312 4.955
147 1H4 C 14 1H4 C 14 -5.989 19.377 2.735
148 2H4 C 14 2H4 C 14 -6.657 19.490 4.350
149 H5 C 14 H5 C 14 -5.276 18.979 6.382
150 H6 C 14 H6 C 14 -3.095 18.416 7.136
151 1H5* A 15 1H5* A 15 -0.340 23.225 5.839
152 2H5* A 15 2H5* A 15 0.781 21.845 5.668
153 H4* A 15 H4* A 15 1.179 24.767 5.157
154 H3* A 15 H3* A 15 0.641 22.697 3.463
155 H2* A 15 H2* A 15 2.394 21.275 4.147
156 2HO* A 15 2HO* A 15 3.741 21.203 2.378
157 H1* A 15 H1* A 15 4.218 23.663 4.035
158 H8 A 15 H8 A 15 3.429 20.493 6.111
159 1H6 A 15 1H6 A 15 9.555 20.222 7.023
160 2H6 A 15 2H6 A 15 8.006 19.428 7.294
161 H2 A 15 H2 A 15 8.669 23.936 4.710
162 1H5* C 16 1H5* C 16 1.081 22.295 0.444
163 2H5* C 16 2H5* C 16 0.851 23.727 -0.529
164 H4* C 16 H4* C 16 -0.221 21.747 -1.395
165 H3* C 16 H3* C 16 -1.428 24.222 -1.479
166 H2* C 16 H2* C 16 -2.502 24.088 0.618
167 2HO* C 16 2HO* C 16 -4.762 23.394 0.157
168 H1* C 16 H1* C 16 -3.492 21.316 0.029
169 1H4 C 16 1H4 C 16 -4.566 22.570 6.340
170 2H4 C 16 2H4 C 16 -2.868 22.266 6.665
171 H5 C 16 H5 C 16 -1.275 21.777 4.845
172 H6 C 16 H6 C 16 -0.968 21.549 2.508
173 1H5* G 17 1H5* G 17 0.716 22.303 -5.124
174 2H5* G 17 2H5* G 17 0.040 20.653 -5.114
175 H4* G 17 H4* G 17 2.626 21.166 -4.893
176 H3* G 17 H3* G 17 1.181 19.011 -3.325
177 H2* G 17 H2* G 17 3.374 18.392 -2.614
178 2HO* G 17 2HO* G 17 4.005 18.780 -4.997
179 H1* G 17 H1* G 17 4.375 21.067 -2.719
180 H8 G 17 H8 G 17 5.459 20.581 -0.458
181 H1 G 17 H1 G 17 -0.037 18.571 2.153
182 1H2 G 17 1H2 G 17 -1.595 18.293 0.541
183 2H2 G 17 2H2 G 17 -1.252 18.767 -1.112
184 1H5* G 18 1H5* G 18 3.615 16.698 -4.235
185 2H5* G 18 2H5* G 18 3.086 15.065 -4.600
186 H4* G 18 H4* G 18 4.213 15.684 -2.270
187 H3* G 18 H3* G 18 1.783 13.892 -2.498
188 H2* G 18 H2* G 18 1.995 13.598 -0.104
189 2HO* G 18 2HO* G 18 4.416 13.678 -0.395
190 H1* G 18 H1* G 18 2.417 16.251 0.440
191 H8 G 18 H8 G 18 -0.175 15.832 -2.353
192 H1 G 18 H1 G 18 -2.477 14.849 3.579
193 1H2 G 18 1H2 G 18 -0.760 14.628 5.023
194 2H2 G 18 2H2 G 18 0.903 14.850 4.505
195 1H5* U 19 1H5* U 19 4.705 11.953 0.162
196 2H5* U 19 2H5* U 19 4.563 10.198 0.062
197 H4* U 19 H4* U 19 4.155 11.269 2.338
198 H3* U 19 H3* U 19 2.022 9.450 1.167
199 H2* U 19 H2* U 19 0.938 9.675 3.319
200 2HO* U 19 2HO* U 19 3.000 9.635 4.454
201 H1* U 19 H1* U 19 1.239 12.371 3.471
202 H3 U 19 H3 U 19 -3.214 11.838 2.478
203 H5 U 19 H5 U 19 -1.208 11.777 -1.221
204 H6 U 19 H6 U 19 0.858 11.594 -0.058
205 1H5* A 20 1H5* A 20 3.462 7.638 4.926
206 2H5* A 20 2H5* A 20 3.238 5.877 4.917
207 H4* A 20 H4* A 20 1.915 7.078 6.672
208 H3* A 20 H3* A 20 0.248 5.580 4.591
209 H2* A 20 H2* A 20 -1.602 6.161 5.903
210 2HO* A 20 2HO* A 20 -1.456 7.177 7.865
211 H1* A 20 H1* A 20 -1.043 8.653 6.145
212 H8 A 20 H8 A 20 0.303 7.696 2.656
213 1H6 A 20 1H6 A 20 -5.264 9.203 0.544
214 2H6 A 20 2H6 A 20 -3.620 8.739 0.183
215 H2 A 20 H2 A 20 -5.514 9.001 5.063
216 1H5* C 21 1H5* C 21 -1.346 4.870 8.127
217 2H5* C 21 2H5* C 21 -1.782 3.271 8.446
218 H4* C 21 H4* C 21 -3.714 4.733 8.671
219 H3* C 21 H3* C 21 -3.956 2.865 6.276
220 H2* C 21 H2* C 21 -6.147 3.789 5.983
221 2HO* C 21 2HO* C 21 -6.375 3.926 8.388
222 H1* C 21 H1* C 21 -5.337 6.379 6.244
223 1H4 C 21 1H4 C 21 -4.997 5.777 0.036
224 2H4 C 21 2H4 C 21 -3.313 5.289 0.107
225 H5 C 21 H5 C 21 -2.196 4.752 2.305
226 H6 C 21 H6 C 21 -2.499 4.725 4.666
227 1H5* C 22 1H5* C 22 -7.562 2.302 8.579
228 2H5* C 22 2H5* C 22 -8.124 0.620 8.471
229 H4* C 22 H4* C 22 -9.718 2.335 7.501
230 H3* C 22 H3* C 22 -8.594 0.207 5.648
231 H2* C 22 H2* C 22 -10.014 1.102 3.954
232 2HO* C 22 2HO* C 22 -11.669 1.481 5.740
233 H1* C 22 H1* C 22 -9.531 3.746 4.570
234 1H4 C 22 1H4 C 22 -5.897 2.698 -0.450
235 2H4 C 22 2H4 C 22 -4.571 2.086 0.517
236 H5 C 22 H5 C 22 -4.791 1.838 3.037
237 H6 C 22 H6 C 22 -6.316 2.009 4.872
238 1H5* U 23 1H5* U 23 -12.716 0.076 4.683
239 2H5* U 23 2H5* U 23 -13.188 -1.605 4.395
240 H4* U 23 H4* U 23 -13.469 -0.127 2.406
241 H3* U 23 H3* U 23 -11.454 -2.378 2.143
242 H2* U 23 H2* U 23 -11.333 -1.767 -0.204
243 2HO* U 23 2HO* U 23 -13.676 -1.324 -0.239
244 H1* U 23 H1* U 23 -11.258 0.929 0.283
245 H3 U 23 H3 U 23 -7.092 0.003 -1.225
246 H5 U 23 H5 U 23 -7.074 -1.374 2.759
247 H6 U 23 H6 U 23 -9.437 -0.938 2.867
248 1H5* U 24 1H5* U 24 -14.495 -2.611 -1.119
249 2H5* U 24 2H5* U 24 -14.694 -4.292 -1.632
250 H4* U 24 H4* U 24 -13.975 -2.672 -3.458
251 H3* U 24 H3* U 24 -12.165 -5.009 -2.797
252 H2* U 24 H2* U 24 -10.934 -4.387 -4.773
253 2HO* U 24 2HO* U 24 -11.659 -2.894 -6.222
254 H1* U 24 H1* U 24 -11.038 -1.670 -4.192
255 H3 U 24 H3 U 24 -6.654 -2.796 -3.807
256 H5 U 24 H5 U 24 -8.393 -4.307 -0.308
257 H6 U 24 H6 U 24 -10.592 -3.800 -1.213
258 1H5* U 25 1H5* U 25 -13.077 -5.144 -6.972
259 2H5* U 25 2H5* U 25 -13.220 -6.810 -7.554
260 H4* U 25 H4* U 25 -11.495 -5.493 -8.777
261 H3* U 25 H3* U 25 -10.482 -7.862 -7.159
262 H2* U 25 H2* U 25 -8.367 -7.477 -8.183
263 2HO* U 25 2HO* U 25 -9.559 -6.936 -10.231
264 H1* U 25 H1* U 25 -8.462 -4.733 -7.906
265 H3 U 25 H3 U 25 -5.226 -6.007 -4.955
266 H5 U 25 H5 U 25 -8.819 -6.810 -2.962
267 H6 U 25 H6 U 25 -10.014 -6.379 -5.011
268 1H5* G 26 1H5* G 26 -9.372 -8.891 -11.148
269 2H5* G 26 2H5* G 26 -9.477 -10.649 -11.380
270 H4* G 26 H4* G 26 -7.152 -9.718 -11.598
271 H3* G 26 H3* G 26 -7.631 -11.632 -9.289
272 H2* G 26 H2* G 26 -5.239 -11.543 -8.957
273 2HO* G 26 2HO* G 26 -4.717 -11.588 -11.198
274 H1* G 26 H1* G 26 -5.107 -8.795 -9.327
275 H8 G 26 H8 G 26 -8.133 -9.435 -7.159
276 H1 G 26 H1 G 26 -2.517 -10.134 -4.087
277 1H2 G 26 1H2 G 26 -0.829 -10.282 -5.643
278 2H2 G 26 2H2 G 26 -1.188 -10.104 -7.351
279 1H5* U 27 1H5* U 27 -4.352 -13.156 -12.030
280 2H5* U 27 2H5* U 27 -4.293 -14.924 -11.940
281 H4* U 27 H4* U 27 -2.128 -13.713 -11.401
282 H3* U 27 H3* U 27 -3.287 -15.519 -9.246
283 H2* U 27 H2* U 27 -1.205 -15.161 -8.121
284 2HO* U 27 2HO* U 27 0.019 -15.166 -10.146
285 H1* U 27 H1* U 27 -1.232 -12.465 -8.492
286 H3 U 27 H3 U 27 -2.164 -13.266 -4.066
287 H5 U 27 H5 U 27 -5.857 -13.580 -6.057
288 H6 U 27 H6 U 27 -4.690 -13.524 -8.151
289 1H5* G 28 1H5* G 28 0.781 -17.000 -10.282
290 2H5* G 28 2H5* G 28 0.976 -18.696 -9.810
291 H4* G 28 H4* G 28 2.471 -16.946 -8.675
292 H3* G 28 H3* G 28 0.914 -18.857 -6.956
293 H2* G 28 H2* G 28 2.044 -17.794 -5.071
294 2HO* G 28 2HO* G 28 3.976 -17.531 -6.602
295 H1* G 28 H1* G 28 1.530 -15.248 -5.898
296 H8 G 28 H8 G 28 -1.594 -16.930 -7.036
297 H1 G 28 H1 G 28 -1.390 -16.201 -0.665
298 1H2 G 28 1H2 G 28 0.763 -15.929 0.014
299 2H2 G 28 2H2 G 28 2.059 -15.775 -1.161
300 1H5* U 29 1H5* U 29 4.739 -18.978 -5.388
301 2H5* U 29 2H5* U 29 5.279 -20.629 -5.040
302 H4* U 29 H4* U 29 5.243 -19.235 -3.019
303 H3* U 29 H3* U 29 3.176 -21.468 -3.034
304 H2* U 29 H2* U 29 2.732 -20.901 -0.771
305 2HO* U 29 2HO* U 29 5.117 -20.367 -0.535
306 H1* U 29 H1* U 29 2.580 -18.221 -1.237
307 H3 U 29 H3 U 29 -1.819 -19.601 -0.802
308 H5 U 29 H5 U 29 -0.839 -19.968 -4.870
309 H6 U 29 H6 U 29 1.425 -19.637 -4.332
310 1H5* C 30 1H5* C 30 5.619 -22.003 0.304
311 2H5* C 30 2H5* C 30 5.906 -23.713 0.669
312 H4* C 30 H4* C 30 4.830 -22.468 2.522
313 H3* C 30 H3* C 30 3.143 -24.642 1.216
314 H2* C 30 H2* C 30 1.565 -24.313 2.988
315 2HO* C 30 2HO* C 30 3.623 -23.941 4.413
316 H1* C 30 H1* C 30 1.867 -21.537 3.020
317 1H4 C 30 1H4 C 30 -3.507 -22.342 -0.157
318 2H4 C 30 2H4 C 30 -2.677 -22.567 -1.685
319 H5 C 30 H5 C 30 -0.152 -22.924 -1.749
320 H6 C 30 H6 C 30 1.838 -22.880 -0.406
321 H3T C 30 HE C 30 3.976 -25.894 2.838
Start of MODEL 18
1 1H5* G 1 1H5* G 1 -11.993 -22.915 6.702
2 2H5* G 1 2H5* G 1 -12.166 -21.153 6.815
3 H4* G 1 H4* G 1 -10.243 -21.947 8.129
4 H3* G 1 H3* G 1 -9.539 -20.281 5.702
5 H2* G 1 H2* G 1 -7.276 -20.313 6.537
6 2HO* G 1 2HO* G 1 -8.172 -20.212 8.798
7 H1* G 1 H1* G 1 -7.270 -22.975 7.097
8 H8 G 1 H8 G 1 -9.298 -22.610 3.916
9 H1 G 1 H1 G 1 -2.976 -21.891 2.994
10 1H2 G 1 1H2 G 1 -1.943 -21.687 5.016
11 2H2 G 1 2H2 G 1 -2.853 -21.801 6.517
12 1H5* G 2 1H5* G 2 -7.495 -18.517 9.057
13 2H5* G 2 2H5* G 2 -7.462 -16.758 8.878
14 H4* G 2 H4* G 2 -5.161 -17.842 9.006
15 H3* G 2 H3* G 2 -5.833 -16.307 6.485
16 H2* G 2 H2* G 2 -3.511 -16.565 6.024
17 2HO* G 2 2HO* G 2 -2.990 -16.244 8.351
18 H1* G 2 H1* G 2 -3.408 -19.212 6.821
19 H8 G 2 H8 G 2 -6.570 -18.809 4.810
20 H1 G 2 H1 G 2 -1.221 -18.397 1.229
21 1H2 G 2 1H2 G 2 0.566 -18.306 2.559
22 2H2 G 2 2H2 G 2 0.413 -18.380 4.310
23 1H5* C 3 1H5* C 3 -2.519 -14.584 8.551
24 2H5* C 3 2H5* C 3 -2.235 -12.875 8.207
25 H4* C 3 H4* C 3 -0.469 -14.612 7.522
26 H3* C 3 H3* C 3 -1.550 -12.600 5.482
27 H2* C 3 H2* C 3 0.110 -13.384 3.963
28 2HO* C 3 2HO* C 3 1.649 -13.562 5.826
29 H1* C 3 H1* C 3 -0.300 -16.031 4.542
30 1H4 C 3 1H4 C 3 -4.063 -15.441 -0.467
31 2H4 C 3 2H4 C 3 -5.413 -15.014 0.560
32 H5 C 3 H5 C 3 -5.134 -14.543 2.998
33 H6 C 3 H6 C 3 -3.560 -14.493 4.787
34 1H5* A 4 1H5* A 4 2.602 -11.616 5.519
35 2H5* A 4 2H5* A 4 2.806 -9.870 5.270
36 H4* A 4 H4* A 4 3.785 -11.313 3.458
37 H3* A 4 H3* A 4 1.541 -9.434 2.637
38 H2* A 4 H2* A 4 2.033 -10.094 0.390
39 2HO* A 4 2HO* A 4 4.358 -10.100 0.821
40 H1* A 4 H1* A 4 2.251 -12.775 1.008
41 H8 A 4 H8 A 4 -0.666 -11.451 3.013
42 1H6 A 4 1H6 A 4 -4.008 -12.624 -2.099
43 2H6 A 4 2H6 A 4 -4.062 -12.266 -0.378
44 H2 A 4 H2 A 4 0.315 -12.665 -3.228
45 1H5* C 5 1H5* C 5 5.075 -8.133 0.257
46 2H5* C 5 2H5* C 5 4.890 -6.422 -0.183
47 H4* C 5 H4* C 5 4.899 -8.080 -2.121
48 H3* C 5 H3* C 5 2.440 -6.334 -1.763
49 H2* C 5 H2* C 5 1.677 -7.308 -3.830
50 2HO* C 5 2HO* C 5 4.004 -7.285 -4.583
51 H1* C 5 H1* C 5 2.390 -9.880 -3.153
52 1H4 C 5 1H4 C 5 -3.819 -9.258 -1.970
53 2H4 C 5 2H4 C 5 -3.516 -8.574 -0.385
54 H5 C 5 H5 C 5 -1.184 -8.085 0.423
55 H6 C 5 H6 C 5 1.130 -8.098 -0.211
56 1H5* U 6 1H5* U 6 3.265 -5.879 -5.884
57 2H5* U 6 2H5* U 6 2.897 -4.259 -6.482
58 H4* U 6 H4* U 6 1.593 -6.167 -7.524
59 H3* U 6 H3* U 6 0.054 -3.920 -6.212
60 H2* U 6 H2* U 6 -1.977 -5.018 -6.831
61 2HO* U 6 2HO* U 6 -0.881 -5.651 -8.901
62 H1* U 6 H1* U 6 -1.187 -7.526 -6.146
63 H3 U 6 H3 U 6 -4.337 -6.250 -3.093
64 H5 U 6 H5 U 6 -0.605 -5.213 -1.448
65 H6 U 6 H6 U 6 0.390 -5.585 -3.577
66 1H5* C 7 1H5* C 7 -0.797 -3.216 -10.513
67 2H5* C 7 2H5* C 7 -0.945 -1.497 -10.930
68 H4* C 7 H4* C 7 -3.187 -2.699 -10.563
69 H3* C 7 H3* C 7 -2.457 -0.438 -8.669
70 H2* C 7 H2* C 7 -4.617 -0.705 -7.749
71 2HO* C 7 2HO* C 7 -5.814 -0.762 -9.652
72 H1* C 7 H1* C 7 -4.688 -3.507 -8.241
73 1H4 C 7 1H4 C 7 -4.393 -2.915 -1.969
74 2H4 C 7 2H4 C 7 -2.641 -2.789 -1.945
75 H5 C 7 H5 C 7 -1.333 -2.643 -4.175
76 H6 C 7 H6 C 7 -1.625 -2.532 -6.550
77 1H5* U 8 1H5* U 8 -6.351 0.168 -11.355
78 2H5* U 8 2H5* U 8 -6.539 1.923 -11.527
79 H4* U 8 H4* U 8 -8.655 0.753 -10.878
80 H3* U 8 H3* U 8 -7.518 2.753 -8.898
81 H2* U 8 H2* U 8 -9.567 2.440 -7.666
82 2HO* U 8 2HO* U 8 -10.751 2.313 -9.760
83 H1* U 8 H1* U 8 -9.602 -0.297 -7.949
84 H3 U 8 H3 U 8 -8.746 0.389 -3.518
85 H5 U 8 H5 U 8 -5.028 0.874 -5.443
86 H6 U 8 H6 U 8 -6.172 0.883 -7.559
87 1H5* G 9 1H5* G 9 -11.687 4.145 -9.624
88 2H5* G 9 2H5* G 9 -11.720 5.898 -9.361
89 H4* G 9 H4* G 9 -13.174 4.552 -7.796
90 H3* G 9 H3* G 9 -10.966 6.213 -6.551
91 H2* G 9 H2* G 9 -11.897 5.538 -4.407
92 2HO* G 9 2HO* G 9 -14.105 5.626 -5.377
93 H1* G 9 H1* G 9 -12.086 2.906 -5.068
94 H8 G 9 H8 G 9 -8.905 4.290 -6.700
95 H1 G 9 H1 G 9 -8.357 3.057 -0.419
96 1H2 G 9 1H2 G 9 -10.429 2.896 0.497
97 2H2 G 9 2H2 G 9 -11.851 2.820 -0.536
98 1H5* G 10 1H5* G 10 -14.802 7.073 -4.462
99 2H5* G 10 2H5* G 10 -14.809 8.731 -3.847
100 H4* G 10 H4* G 10 -15.107 6.839 -2.134
101 H3* G 10 H3* G 10 -12.967 8.943 -1.785
102 H2* G 10 H2* G 10 -12.413 7.903 0.323
103 2HO* G 10 2HO* G 10 -14.828 7.482 0.568
104 H1* G 10 H1* G 10 -12.543 5.323 -0.603
105 H8 G 10 H8 G 10 -10.854 7.143 -3.425
106 H1 G 10 H1 G 10 -7.021 6.034 1.612
107 1H2 G 10 1H2 G 10 -8.298 5.667 3.463
108 2H2 G 10 2H2 G 10 -10.052 5.567 3.342
109 1H5* U 11 1H5* U 11 -14.815 8.699 2.217
110 2H5* U 11 2H5* U 11 -15.027 10.373 2.775
111 H4* U 11 H4* U 11 -13.509 9.062 4.330
112 H3* U 11 H3* U 11 -12.163 11.288 2.812
113 H2* U 11 H2* U 11 -10.366 10.781 4.369
114 2HO* U 11 2HO* U 11 -11.445 10.370 6.253
115 H1* U 11 H1* U 11 -10.589 8.069 4.051
116 H3 U 11 H3 U 11 -6.643 9.333 2.189
117 H5 U 11 H5 U 11 -9.549 10.249 -0.734
118 H6 U 11 H6 U 11 -11.257 9.775 0.887
119 1H5* A 12 1H5* A 12 -12.741 12.397 7.178
120 2H5* A 12 2H5* A 12 -12.316 14.073 7.584
121 H4* A 12 H4* A 12 -10.784 12.185 8.471
122 H3* A 12 H3* A 12 -9.561 14.427 6.879
123 H2* A 12 H2* A 12 -7.447 13.372 7.289
124 2HO* A 12 2HO* A 12 -7.845 12.853 9.480
125 H1* A 12 H1* A 12 -8.411 10.771 6.743
126 H8 A 12 H8 A 12 -9.926 13.180 4.324
127 1H6 A 12 1H6 A 12 -4.858 12.546 0.870
128 2H6 A 12 2H6 A 12 -6.538 13.049 0.941
129 H2 A 12 H2 A 12 -3.871 11.141 5.029
130 1H5* U 13 1H5* U 13 -6.247 15.946 11.085
131 2H5* U 13 2H5* U 13 -6.340 16.498 9.415
132 H4* U 13 H4* U 13 -4.711 14.218 10.558
133 H3* U 13 H3* U 13 -4.363 16.645 8.793
134 H2* U 13 H2* U 13 -2.648 15.676 7.543
135 2HO* U 13 2HO* U 13 -1.639 13.747 8.144
136 H1* U 13 H1* U 13 -3.841 13.227 7.255
137 H3 U 13 H3 U 13 -4.397 15.050 3.130
138 H5 U 13 H5 U 13 -7.740 16.193 5.438
139 H6 U 13 H6 U 13 -6.500 15.600 7.403
140 1H5* C 14 1H5* C 14 -0.699 16.320 9.409
141 2H5* C 14 2H5* C 14 0.055 17.807 10.018
142 H4* C 14 H4* C 14 1.085 17.334 7.918
143 H3* C 14 H3* C 14 -1.052 19.428 7.466
144 H2* C 14 H2* C 14 -0.028 19.649 5.253
145 2HO* C 14 2HO* C 14 1.815 18.473 4.704
146 H1* C 14 H1* C 14 -0.167 16.961 4.871
147 1H4 C 14 1H4 C 14 -5.844 19.071 2.894
148 2H4 C 14 2H4 C 14 -6.478 19.082 4.526
149 H5 C 14 H5 C 14 -5.044 18.520 6.499
150 H6 C 14 H6 C 14 -2.838 17.954 7.182
151 1H5* A 15 1H5* A 15 0.011 22.826 6.189
152 2H5* A 15 2H5* A 15 1.100 21.460 5.854
153 H4* A 15 H4* A 15 1.519 24.417 5.558
154 H3* A 15 H3* A 15 0.915 22.513 3.724
155 H2* A 15 H2* A 15 2.565 20.947 4.264
156 2HO* A 15 2HO* A 15 4.010 20.958 2.578
157 H1* A 15 H1* A 15 4.685 23.034 4.430
158 H8 A 15 H8 A 15 3.049 20.395 6.747
159 1H6 A 15 1H6 A 15 8.828 18.405 7.726
160 2H6 A 15 2H6 A 15 7.121 18.169 8.090
161 H2 A 15 H2 A 15 9.020 21.859 4.896
162 1H5* C 16 1H5* C 16 1.105 22.308 0.855
163 2H5* C 16 2H5* C 16 1.114 23.781 -0.084
164 H4* C 16 H4* C 16 -0.195 22.150 -1.173
165 H3* C 16 H3* C 16 -1.324 24.612 -0.902
166 H2* C 16 H2* C 16 -2.309 24.221 1.224
167 2HO* C 16 2HO* C 16 -4.602 23.629 0.775
168 H1* C 16 H1* C 16 -3.409 21.584 0.316
169 1H4 C 16 1H4 C 16 -4.194 21.914 6.757
170 2H4 C 16 2H4 C 16 -2.471 21.674 6.986
171 H5 C 16 H5 C 16 -0.937 21.466 5.046
172 H6 C 16 H6 C 16 -0.722 21.572 2.690
173 1H5* G 17 1H5* G 17 -0.760 21.097 -4.585
174 2H5* G 17 2H5* G 17 -0.622 20.940 -2.836
175 H4* G 17 H4* G 17 1.663 21.598 -4.770
176 H3* G 17 H3* G 17 0.907 19.116 -3.188
177 H2* G 17 H2* G 17 3.167 18.667 -2.843
178 2HO* G 17 2HO* G 17 3.378 19.297 -5.281
179 H1* G 17 H1* G 17 4.023 21.378 -2.883
180 H8 G 17 H8 G 17 5.437 20.594 -0.818
181 H1 G 17 H1 G 17 0.221 18.452 2.238
182 1H2 G 17 1H2 G 17 -1.506 18.360 0.863
183 2H2 G 17 2H2 G 17 -1.385 18.958 -0.782
184 1H5* G 18 1H5* G 18 3.295 17.026 -4.534
185 2H5* G 18 2H5* G 18 2.785 15.366 -4.873
186 H4* G 18 H4* G 18 4.118 15.964 -2.663
187 H3* G 18 H3* G 18 1.719 14.127 -2.725
188 H2* G 18 H2* G 18 2.080 13.788 -0.369
189 2HO* G 18 2HO* G 18 4.492 13.932 -0.826
190 H1* G 18 H1* G 18 2.485 16.429 0.226
191 H8 G 18 H8 G 18 -0.225 16.091 -2.440
192 H1 G 18 H1 G 18 -2.252 14.586 3.477
193 1H2 G 18 1H2 G 18 -0.459 14.301 4.824
194 2H2 G 18 2H2 G 18 1.170 14.645 4.267
195 1H5* U 19 1H5* U 19 4.778 12.131 -0.310
196 2H5* U 19 2H5* U 19 4.667 10.381 -0.506
197 H4* U 19 H4* U 19 4.351 11.274 1.837
198 H3* U 19 H3* U 19 2.113 9.567 0.680
199 H2* U 19 H2* U 19 1.184 9.654 2.909
200 2HO* U 19 2HO* U 19 3.336 9.556 3.889
201 H1* U 19 H1* U 19 1.478 12.331 3.177
202 H3 U 19 H3 U 19 -2.998 11.566 2.298
203 H5 U 19 H5 U 19 -1.122 11.933 -1.455
204 H6 U 19 H6 U 19 0.984 11.856 -0.367
205 1H5* A 20 1H5* A 20 3.634 7.633 4.263
206 2H5* A 20 2H5* A 20 3.447 5.872 4.190
207 H4* A 20 H4* A 20 2.226 6.975 6.065
208 H3* A 20 H3* A 20 0.469 5.466 4.065
209 H2* A 20 H2* A 20 -1.314 5.955 5.533
210 2HO* A 20 2HO* A 20 0.311 5.887 7.422
211 H1* A 20 H1* A 20 -0.831 8.449 5.829
212 H8 A 20 H8 A 20 0.384 7.861 2.221
213 1H6 A 20 1H6 A 20 -5.394 8.961 0.440
214 2H6 A 20 2H6 A 20 -3.725 8.727 -0.014
215 H2 A 20 H2 A 20 -5.424 8.419 4.935
216 1H5* C 21 1H5* C 21 -0.967 4.607 7.666
217 2H5* C 21 2H5* C 21 -1.248 2.964 7.963
218 H4* C 21 H4* C 21 -3.280 4.261 8.287
219 H3* C 21 H3* C 21 -3.503 2.475 5.821
220 H2* C 21 H2* C 21 -5.747 3.285 5.663
221 2HO* C 21 2HO* C 21 -5.914 3.299 8.063
222 H1* C 21 H1* C 21 -5.061 5.905 6.008
223 1H4 C 21 1H4 C 21 -4.979 5.583 -0.222
224 2H4 C 21 2H4 C 21 -3.271 5.182 -0.252
225 H5 C 21 H5 C 21 -2.022 4.624 1.876
226 H6 C 21 H6 C 21 -2.223 4.485 4.250
227 1H5* C 22 1H5* C 22 -6.950 1.570 8.278
228 2H5* C 22 2H5* C 22 -7.445 -0.124 8.077
229 H4* C 22 H4* C 22 -9.152 1.598 7.319
230 H3* C 22 H3* C 22 -8.083 -0.385 5.285
231 H2* C 22 H2* C 22 -9.600 0.572 3.718
232 2HO* C 22 2HO* C 22 -11.169 0.797 5.608
233 H1* C 22 H1* C 22 -9.168 3.191 4.465
234 1H4 C 22 1H4 C 22 -5.778 2.487 -0.796
235 2H4 C 22 2H4 C 22 -4.384 1.885 0.077
236 H5 C 22 H5 C 22 -4.468 1.500 2.583
237 H6 C 22 H6 C 22 -5.888 1.549 4.500
238 1H5* U 23 1H5* U 23 -12.285 -0.540 4.593
239 2H5* U 23 2H5* U 23 -12.762 -2.203 4.215
240 H4* U 23 H4* U 23 -13.165 -0.552 2.365
241 H3* U 23 H3* U 23 -11.255 -2.838 1.812
242 H2* U 23 H2* U 23 -11.220 -2.054 -0.485
243 2HO* U 23 2HO* U 23 -13.539 -1.544 -0.379
244 H1* U 23 H1* U 23 -11.033 0.590 0.178
245 H3 U 23 H3 U 23 -6.956 -0.245 -1.569
246 H5 U 23 H5 U 23 -6.759 -1.834 2.327
247 H6 U 23 H6 U 23 -9.120 -1.454 2.548
248 1H5* U 24 1H5* U 24 -14.498 -2.731 -1.308
249 2H5* U 24 2H5* U 24 -14.780 -4.378 -1.892
250 H4* U 24 H4* U 24 -14.120 -2.728 -3.683
251 H3* U 24 H3* U 24 -12.284 -5.096 -3.200
252 H2* U 24 H2* U 24 -11.136 -4.374 -5.213
253 2HO* U 24 2HO* U 24 -13.315 -3.743 -6.109
254 H1* U 24 H1* U 24 -11.156 -1.713 -4.504
255 H3 U 24 H3 U 24 -6.792 -2.853 -4.140
256 H5 U 24 H5 U 24 -8.539 -4.433 -0.671
257 H6 U 24 H6 U 24 -10.728 -3.959 -1.598
258 1H5* U 25 1H5* U 25 -13.126 -5.164 -7.417
259 2H5* U 25 2H5* U 25 -13.263 -6.847 -7.949
260 H4* U 25 H4* U 25 -11.499 -5.596 -9.156
261 H3* U 25 H3* U 25 -10.487 -7.869 -7.398
262 H2* U 25 H2* U 25 -8.382 -7.510 -8.451
263 2HO* U 25 2HO* U 25 -9.504 -7.106 -10.532
264 H1* U 25 H1* U 25 -8.516 -4.761 -8.268
265 H3 U 25 H3 U 25 -5.283 -6.015 -5.296
266 H5 U 25 H5 U 25 -8.879 -6.713 -3.270
267 H6 U 25 H6 U 25 -10.080 -6.294 -5.328
268 1H5* G 26 1H5* G 26 -9.390 -9.043 -11.362
269 2H5* G 26 2H5* G 26 -9.399 -10.812 -11.507
270 H4* G 26 H4* G 26 -7.148 -9.735 -11.837
271 H3* G 26 H3* G 26 -7.436 -11.639 -9.492
272 H2* G 26 H2* G 26 -5.035 -11.400 -9.235
273 2HO* G 26 2HO* G 26 -4.811 -11.338 -11.629
274 H1* G 26 H1* G 26 -5.087 -8.662 -9.551
275 H8 G 26 H8 G 26 -8.121 -9.453 -7.448
276 H1 G 26 H1 G 26 -2.550 -9.856 -4.248
277 1H2 G 26 1H2 G 26 -0.829 -9.980 -5.759
278 2H2 G 26 2H2 G 26 -1.142 -9.831 -7.481
279 1H5* U 27 1H5* U 27 -4.071 -13.019 -12.052
280 2H5* U 27 2H5* U 27 -3.944 -14.783 -11.972
281 H4* U 27 H4* U 27 -1.869 -13.518 -11.294
282 H3* U 27 H3* U 27 -3.113 -15.317 -9.181
283 H2* U 27 H2* U 27 -1.122 -14.877 -7.932
284 2HO* U 27 2HO* U 27 0.274 -14.890 -9.809
285 H1* U 27 H1* U 27 -1.197 -12.190 -8.365
286 H3 U 27 H3 U 27 -2.342 -13.018 -3.994
287 H5 U 27 H5 U 27 -5.921 -13.371 -6.178
288 H6 U 27 H6 U 27 -4.638 -13.312 -8.206
289 1H5* G 28 1H5* G 28 1.084 -16.677 -9.922
290 2H5* G 28 2H5* G 28 1.303 -18.349 -9.378
291 H4* G 28 H4* G 28 2.672 -16.501 -8.215
292 H3* G 28 H3* G 28 1.083 -18.414 -6.534
293 H2* G 28 H2* G 28 2.065 -17.270 -4.628
294 2HO* G 28 2HO* G 28 3.633 -15.718 -4.846
295 H1* G 28 H1* G 28 1.478 -14.773 -5.561
296 H8 G 28 H8 G 28 -1.504 -16.627 -6.784
297 H1 G 28 H1 G 28 -1.578 -15.725 -0.429
298 1H2 G 28 1H2 G 28 0.539 -15.363 0.322
299 2H2 G 28 2H2 G 28 1.866 -15.162 -0.811
300 1H5* U 29 1H5* U 29 4.816 -18.294 -4.846
301 2H5* U 29 2H5* U 29 5.474 -19.876 -4.395
302 H4* U 29 H4* U 29 5.286 -18.388 -2.449
303 H3* U 29 H3* U 29 3.406 -20.779 -2.397
304 H2* U 29 H2* U 29 2.804 -20.134 -0.194
305 2HO* U 29 2HO* U 29 5.133 -19.387 0.104
306 H1* U 29 H1* U 29 2.474 -17.500 -0.796
307 H3 U 29 H3 U 29 -1.839 -19.116 -0.486
308 H5 U 29 H5 U 29 -0.659 -19.596 -4.489
309 H6 U 29 H6 U 29 1.552 -19.118 -3.871
310 1H5* C 30 1H5* C 30 5.629 -20.961 1.101
311 2H5* C 30 2H5* C 30 6.084 -22.626 1.498
312 H4* C 30 H4* C 30 4.759 -21.552 3.275
313 H3* C 30 H3* C 30 3.358 -23.830 1.815
314 H2* C 30 H2* C 30 1.651 -23.683 3.483
315 2HO* C 30 2HO* C 30 3.575 -23.206 5.049
316 H1* C 30 H1* C 30 1.745 -20.886 3.622
317 1H4 C 30 1H4 C 30 -3.406 -21.930 0.165
318 2H4 C 30 2H4 C 30 -2.492 -22.080 -1.324
319 H5 C 30 H5 C 30 0.052 -22.305 -1.267
320 H6 C 30 H6 C 30 1.969 -22.159 0.177
321 H3T C 30 HE C 30 4.235 -25.062 3.401
Start of MODEL 19
1 1H5* G 1 1H5* G 1 -11.093 -23.504 7.253
2 2H5* G 1 2H5* G 1 -11.383 -21.761 7.414
3 H4* G 1 H4* G 1 -9.327 -22.432 8.587
4 H3* G 1 H3* G 1 -8.901 -20.685 6.154
5 H2* G 1 H2* G 1 -6.592 -20.569 6.843
6 2HO* G 1 2HO* G 1 -7.359 -20.559 9.158
7 H1* G 1 H1* G 1 -6.370 -23.227 7.387
8 H8 G 1 H8 G 1 -8.570 -22.973 4.302
9 H1 G 1 H1 G 1 -2.338 -21.921 3.119
10 1H2 G 1 1H2 G 1 -1.246 -21.612 5.103
11 2H2 G 1 2H2 G 1 -2.093 -21.778 6.636
12 1H5* G 2 1H5* G 2 -6.777 -18.829 9.407
13 2H5* G 2 2H5* G 2 -6.886 -17.072 9.257
14 H4* G 2 H4* G 2 -4.517 -17.969 9.229
15 H3* G 2 H3* G 2 -5.436 -16.513 6.734
16 H2* G 2 H2* G 2 -3.124 -16.568 6.175
17 2HO* G 2 2HO* G 2 -2.499 -16.154 8.440
18 H1* G 2 H1* G 2 -2.764 -19.191 7.011
19 H8 G 2 H8 G 2 -5.992 -19.115 5.083
20 H1 G 2 H1 G 2 -0.804 -18.260 1.342
21 1H2 G 2 1H2 G 2 1.002 -17.989 2.619
22 2H2 G 2 2H2 G 2 0.903 -18.030 4.376
23 1H5* C 3 1H5* C 3 -2.224 -14.435 8.669
24 2H5* C 3 2H5* C 3 -2.110 -12.716 8.273
25 H4* C 3 H4* C 3 -0.210 -14.317 7.579
26 H3* C 3 H3* C 3 -1.494 -12.439 5.534
27 H2* C 3 H2* C 3 0.198 -13.126 3.995
28 2HO* C 3 2HO* C 3 1.785 -13.144 5.819
29 H1* C 3 H1* C 3 -0.004 -15.782 4.631
30 1H4 C 3 1H4 C 3 -3.888 -15.589 -0.313
31 2H4 C 3 2H4 C 3 -5.248 -15.254 0.735
32 H5 C 3 H5 C 3 -4.962 -14.702 3.153
33 H6 C 3 H6 C 3 -3.366 -14.491 4.910
34 1H5* A 4 1H5* A 4 2.584 -11.121 5.550
35 2H5* A 4 2H5* A 4 2.656 -9.375 5.240
36 H4* A 4 H4* A 4 3.756 -10.814 3.494
37 H3* A 4 H3* A 4 1.416 -9.100 2.591
38 H2* A 4 H2* A 4 1.944 -9.807 0.370
39 2HO* A 4 2HO* A 4 4.277 -9.676 0.845
40 H1* A 4 H1* A 4 2.296 -12.443 1.053
41 H8 A 4 H8 A 4 -0.646 -11.210 3.092
42 1H6 A 4 1H6 A 4 -4.030 -12.717 -1.892
43 2H6 A 4 2H6 A 4 -4.058 -12.303 -0.183
44 H2 A 4 H2 A 4 0.267 -12.570 -3.128
45 1H5* C 5 1H5* C 5 4.837 -7.714 0.110
46 2H5* C 5 2H5* C 5 4.548 -6.033 -0.381
47 H4* C 5 H4* C 5 4.617 -7.750 -2.259
48 H3* C 5 H3* C 5 2.061 -6.141 -1.931
49 H2* C 5 H2* C 5 1.359 -7.219 -3.980
50 2HO* C 5 2HO* C 5 3.686 -7.103 -4.724
51 H1* C 5 H1* C 5 2.186 -9.721 -3.194
52 1H4 C 5 1H4 C 5 -4.038 -9.269 -1.931
53 2H4 C 5 2H4 C 5 -3.726 -8.500 -0.391
54 H5 C 5 H5 C 5 -1.395 -7.953 0.381
55 H6 C 5 H6 C 5 0.904 -7.907 -0.291
56 1H5* U 6 1H5* U 6 2.858 -5.812 -6.022
57 2H5* U 6 2H5* U 6 2.488 -4.223 -6.689
58 H4* U 6 H4* U 6 1.215 -6.154 -7.705
59 H3* U 6 H3* U 6 -0.364 -3.913 -6.430
60 H2* U 6 H2* U 6 -2.380 -5.044 -7.030
61 2HO* U 6 2HO* U 6 -1.261 -5.676 -9.096
62 H1* U 6 H1* U 6 -1.552 -7.547 -6.348
63 H3 U 6 H3 U 6 -4.756 -6.255 -3.325
64 H5 U 6 H5 U 6 -1.049 -5.169 -1.663
65 H6 U 6 H6 U 6 -0.030 -5.567 -3.774
66 1H5* C 7 1H5* C 7 -1.129 -3.234 -10.765
67 2H5* C 7 2H5* C 7 -1.284 -1.518 -11.188
68 H4* C 7 H4* C 7 -3.519 -2.680 -10.798
69 H3* C 7 H3* C 7 -2.744 -0.480 -8.852
70 H2* C 7 H2* C 7 -4.917 -0.712 -7.957
71 2HO* C 7 2HO* C 7 -6.068 -0.696 -9.906
72 H1* C 7 H1* C 7 -5.036 -3.511 -8.498
73 1H4 C 7 1H4 C 7 -4.799 -2.953 -2.212
74 2H4 C 7 2H4 C 7 -3.060 -2.707 -2.176
75 H5 C 7 H5 C 7 -1.737 -2.541 -4.382
76 H6 C 7 H6 C 7 -1.998 -2.461 -6.765
77 1H5* U 8 1H5* U 8 -6.540 0.302 -11.607
78 2H5* U 8 2H5* U 8 -6.657 2.066 -11.764
79 H4* U 8 H4* U 8 -8.838 0.978 -11.197
80 H3* U 8 H3* U 8 -7.671 2.900 -9.160
81 H2* U 8 H2* U 8 -9.754 2.654 -7.972
82 2HO* U 8 2HO* U 8 -10.904 2.633 -10.083
83 H1* U 8 H1* U 8 -9.922 -0.074 -8.329
84 H3 U 8 H3 U 8 -9.167 0.400 -3.851
85 H5 U 8 H5 U 8 -5.378 0.808 -5.648
86 H6 U 8 H6 U 8 -6.454 0.940 -7.795
87 1H5* G 9 1H5* G 9 -11.736 4.505 -10.014
88 2H5* G 9 2H5* G 9 -11.690 6.260 -9.757
89 H4* G 9 H4* G 9 -13.249 5.003 -8.220
90 H3* G 9 H3* G 9 -10.975 6.547 -6.946
91 H2* G 9 H2* G 9 -11.954 5.931 -4.809
92 2HO* G 9 2HO* G 9 -14.147 6.142 -5.812
93 H1* G 9 H1* G 9 -12.304 3.311 -5.466
94 H8 G 9 H8 G 9 -9.019 4.507 -7.055
95 H1 G 9 H1 G 9 -8.618 3.153 -0.791
96 1H2 G 9 1H2 G 9 -10.704 3.133 0.109
97 2H2 G 9 2H2 G 9 -12.117 3.161 -0.939
98 1H5* G 10 1H5* G 10 -14.755 7.656 -4.882
99 2H5* G 10 2H5* G 10 -14.661 9.331 -4.320
100 H4* G 10 H4* G 10 -15.062 7.557 -2.531
101 H3* G 10 H3* G 10 -12.697 9.429 -2.293
102 H2* G 10 H2* G 10 -12.269 8.412 -0.138
103 2HO* G 10 2HO* G 10 -14.682 8.279 0.164
104 H1* G 10 H1* G 10 -12.660 5.839 -0.987
105 H8 G 10 H8 G 10 -10.807 7.487 -3.836
106 H1 G 10 H1 G 10 -7.085 6.078 1.212
107 1H2 G 10 1H2 G 10 -8.391 5.810 3.057
108 2H2 G 10 2H2 G 10 -10.147 5.789 2.918
109 1H5* U 11 1H5* U 11 -14.789 9.533 1.632
110 2H5* U 11 2H5* U 11 -14.710 11.190 2.261
111 H4* U 11 H4* U 11 -13.597 9.466 3.779
112 H3* U 11 H3* U 11 -11.834 11.644 2.674
113 H2* U 11 H2* U 11 -10.208 10.707 4.200
114 2HO* U 11 2HO* U 11 -11.709 10.299 5.902
115 H1* U 11 H1* U 11 -10.703 8.117 3.522
116 H3 U 11 H3 U 11 -6.592 9.286 1.937
117 H5 U 11 H5 U 11 -9.318 10.638 -0.985
118 H6 U 11 H6 U 11 -11.105 10.178 0.540
119 1H5* A 12 1H5* A 12 -12.867 12.693 6.998
120 2H5* A 12 2H5* A 12 -12.301 14.296 7.500
121 H4* A 12 H4* A 12 -10.921 12.259 8.255
122 H3* A 12 H3* A 12 -9.578 14.505 6.768
123 H2* A 12 H2* A 12 -7.521 13.344 7.168
124 2HO* A 12 2HO* A 12 -7.974 12.768 9.335
125 H1* A 12 H1* A 12 -8.569 10.820 6.531
126 H8 A 12 H8 A 12 -9.967 13.349 4.170
127 1H6 A 12 1H6 A 12 -4.874 12.595 0.760
128 2H6 A 12 2H6 A 12 -6.532 13.173 0.818
129 H2 A 12 H2 A 12 -4.006 11.050 4.891
130 1H5* U 13 1H5* U 13 -6.289 15.645 11.143
131 2H5* U 13 2H5* U 13 -6.313 16.308 9.511
132 H4* U 13 H4* U 13 -4.819 13.890 10.546
133 H3* U 13 H3* U 13 -4.333 16.369 8.884
134 H2* U 13 H2* U 13 -2.631 15.370 7.641
135 2HO* U 13 2HO* U 13 -1.736 13.369 8.186
136 H1* U 13 H1* U 13 -3.941 12.996 7.232
137 H3 U 13 H3 U 13 -4.334 14.971 3.166
138 H5 U 13 H5 U 13 -7.637 16.245 5.458
139 H6 U 13 H6 U 13 -6.471 15.522 7.425
140 1H5* C 14 1H5* C 14 -0.681 15.922 9.600
141 2H5* C 14 2H5* C 14 0.082 17.382 10.262
142 H4* C 14 H4* C 14 1.158 16.931 8.180
143 H3* C 14 H3* C 14 -0.929 19.069 7.703
144 H2* C 14 H2* C 14 0.187 19.320 5.528
145 2HO* C 14 2HO* C 14 1.983 18.037 5.010
146 H1* C 14 H1* C 14 -0.017 16.637 5.094
147 1H4 C 14 1H4 C 14 -5.534 19.069 3.008
148 2H4 C 14 2H4 C 14 -6.224 19.049 4.617
149 H5 C 14 H5 C 14 -4.888 18.333 6.614
150 H6 C 14 H6 C 14 -2.733 17.648 7.346
151 1H5* A 15 1H5* A 15 0.250 22.442 6.418
152 2H5* A 15 2H5* A 15 1.336 21.059 6.149
153 H4* A 15 H4* A 15 1.827 24.011 5.864
154 H3* A 15 H3* A 15 1.259 22.119 3.997
155 H2* A 15 H2* A 15 2.868 20.516 4.626
156 2HO* A 15 2HO* A 15 3.754 22.264 2.648
157 H1* A 15 H1* A 15 4.942 22.681 4.814
158 H8 A 15 H8 A 15 4.025 19.153 5.834
159 1H6 A 15 1H6 A 15 9.141 19.183 9.302
160 2H6 A 15 2H6 A 15 7.805 18.220 8.677
161 H2 A 15 H2 A 15 8.519 23.327 7.767
162 1H5* C 16 1H5* C 16 1.441 21.891 1.178
163 2H5* C 16 2H5* C 16 1.680 23.351 0.248
164 H4* C 16 H4* C 16 0.253 21.940 -0.939
165 H3* C 16 H3* C 16 -0.624 24.492 -0.604
166 H2* C 16 H2* C 16 -1.771 24.158 1.458
167 2HO* C 16 2HO* C 16 -3.402 23.916 -0.792
168 H1* C 16 H1* C 16 -3.090 21.682 0.423
169 1H4 C 16 1H4 C 16 -3.984 21.683 6.842
170 2H4 C 16 2H4 C 16 -2.276 21.389 7.110
171 H5 C 16 H5 C 16 -0.705 21.160 5.190
172 H6 C 16 H6 C 16 -0.428 21.387 2.850
173 1H5* G 17 1H5* G 17 -0.167 21.160 -4.427
174 2H5* G 17 2H5* G 17 -0.219 20.915 -2.683
175 H4* G 17 H4* G 17 2.278 21.524 -4.347
176 H3* G 17 H3* G 17 1.290 19.024 -2.916
177 H2* G 17 H2* G 17 3.530 18.469 -2.509
178 2HO* G 17 2HO* G 17 3.866 19.191 -4.900
179 H1* G 17 H1* G 17 4.448 21.171 -2.402
180 H8 G 17 H8 G 17 5.827 20.196 -0.415
181 H1 G 17 H1 G 17 0.553 18.057 2.542
182 1H2 G 17 1H2 G 17 -1.193 18.206 1.219
183 2H2 G 17 2H2 G 17 -1.069 18.918 -0.380
184 1H5* G 18 1H5* G 18 3.634 16.901 -4.254
185 2H5* G 18 2H5* G 18 3.087 15.273 -4.675
186 H4* G 18 H4* G 18 4.340 15.749 -2.389
187 H3* G 18 H3* G 18 1.883 14.001 -2.620
188 H2* G 18 H2* G 18 2.142 13.562 -0.267
189 2HO* G 18 2HO* G 18 4.575 13.633 -0.626
190 H1* G 18 H1* G 18 2.635 16.159 0.444
191 H8 G 18 H8 G 18 -0.017 16.044 -2.292
192 H1 G 18 H1 G 18 -2.234 14.396 3.519
193 1H2 G 18 1H2 G 18 -0.487 13.983 4.890
194 2H2 G 18 2H2 G 18 1.166 14.280 4.379
195 1H5* U 19 1H5* U 19 4.816 11.844 -0.180
196 2H5* U 19 2H5* U 19 4.662 10.103 -0.422
197 H4* U 19 H4* U 19 4.304 10.967 1.937
198 H3* U 19 H3* U 19 2.095 9.303 0.671
199 H2* U 19 H2* U 19 1.086 9.358 2.865
200 2HO* U 19 2HO* U 19 3.171 9.192 3.940
201 H1* U 19 H1* U 19 1.418 12.022 3.219
202 H3 U 19 H3 U 19 -3.054 11.466 2.232
203 H5 U 19 H5 U 19 -1.088 11.835 -1.472
204 H6 U 19 H6 U 19 0.993 11.620 -0.348
205 1H5* A 20 1H5* A 20 3.566 7.192 4.214
206 2H5* A 20 2H5* A 20 3.316 5.441 4.086
207 H4* A 20 H4* A 20 2.092 6.546 5.963
208 H3* A 20 H3* A 20 0.318 5.157 3.892
209 H2* A 20 H2* A 20 -1.470 5.695 5.330
210 2HO* A 20 2HO* A 20 0.092 5.512 7.257
211 H1* A 20 H1* A 20 -0.894 8.157 5.689
212 H8 A 20 H8 A 20 0.359 7.512 2.099
213 1H6 A 20 1H6 A 20 -5.296 8.972 0.209
214 2H6 A 20 2H6 A 20 -3.644 8.593 -0.215
215 H2 A 20 H2 A 20 -5.440 8.464 4.708
216 1H5* C 21 1H5* C 21 -1.219 4.290 7.483
217 2H5* C 21 2H5* C 21 -1.646 2.665 7.708
218 H4* C 21 H4* C 21 -3.561 4.130 8.043
219 H3* C 21 H3* C 21 -3.887 2.403 5.549
220 H2* C 21 H2* C 21 -6.071 3.373 5.395
221 2HO* C 21 2HO* C 21 -6.232 3.383 7.802
222 H1* C 21 H1* C 21 -5.202 5.927 5.754
223 1H4 C 21 1H4 C 21 -5.089 5.537 -0.491
224 2H4 C 21 2H4 C 21 -3.408 5.034 -0.493
225 H5 C 21 H5 C 21 -2.213 4.437 1.649
226 H6 C 21 H6 C 21 -2.437 4.336 4.021
227 1H5* C 22 1H5* C 22 -7.402 1.827 7.986
228 2H5* C 22 2H5* C 22 -8.063 0.190 7.807
229 H4* C 22 H4* C 22 -9.597 2.069 7.040
230 H3* C 22 H3* C 22 -8.746 -0.056 5.049
231 H2* C 22 H2* C 22 -10.186 1.009 3.462
232 2HO* C 22 2HO* C 22 -11.690 1.454 5.372
233 H1* C 22 H1* C 22 -9.463 3.582 4.121
234 1H4 C 22 1H4 C 22 -6.136 2.465 -1.088
235 2H4 C 22 2H4 C 22 -4.799 1.774 -0.195
236 H5 C 22 H5 C 22 -4.914 1.492 2.330
237 H6 C 22 H6 C 22 -6.341 1.680 4.229
238 1H5* U 23 1H5* U 23 -12.865 0.155 4.221
239 2H5* U 23 2H5* U 23 -13.483 -1.486 3.970
240 H4* U 23 H4* U 23 -13.721 -0.050 1.959
241 H3* U 23 H3* U 23 -11.812 -2.393 1.689
242 H2* U 23 H2* U 23 -11.712 -1.821 -0.669
243 2HO* U 23 2HO* U 23 -14.039 -1.270 -0.644
244 H1* U 23 H1* U 23 -11.506 0.870 -0.223
245 H3 U 23 H3 U 23 -7.415 -0.245 -1.791
246 H5 U 23 H5 U 23 -7.375 -1.568 2.210
247 H6 U 23 H6 U 23 -9.718 -1.042 2.353
248 1H5* U 24 1H5* U 24 -14.913 -2.542 -1.512
249 2H5* U 24 2H5* U 24 -15.198 -4.227 -1.968
250 H4* U 24 H4* U 24 -14.479 -2.731 -3.867
251 H3* U 24 H3* U 24 -12.677 -5.067 -3.152
252 H2* U 24 H2* U 24 -11.504 -4.535 -5.207
253 2HO* U 24 2HO* U 24 -13.666 -4.001 -6.187
254 H1* U 24 H1* U 24 -11.546 -1.800 -4.741
255 H3 U 24 H3 U 24 -7.163 -2.898 -4.317
256 H5 U 24 H5 U 24 -8.897 -4.350 -0.788
257 H6 U 24 H6 U 24 -11.094 -3.858 -1.699
258 1H5* U 25 1H5* U 25 -13.649 -5.587 -7.342
259 2H5* U 25 2H5* U 25 -13.789 -7.319 -7.684
260 H4* U 25 H4* U 25 -12.071 -6.193 -9.071
261 H3* U 25 H3* U 25 -10.965 -8.254 -7.116
262 H2* U 25 H2* U 25 -8.907 -7.971 -8.283
263 2HO* U 25 2HO* U 25 -10.076 -7.803 -10.356
264 H1* U 25 H1* U 25 -9.078 -5.227 -8.356
265 H3 U 25 H3 U 25 -5.740 -6.201 -5.381
266 H5 U 25 H5 U 25 -9.271 -6.803 -3.207
267 H6 U 25 H6 U 25 -10.534 -6.523 -5.246
268 1H5* G 26 1H5* G 26 -9.968 -9.732 -11.022
269 2H5* G 26 2H5* G 26 -9.862 -11.503 -11.019
270 H4* G 26 H4* G 26 -7.719 -10.275 -11.566
271 H3* G 26 H3* G 26 -7.745 -12.106 -9.151
272 H2* G 26 H2* G 26 -5.364 -11.675 -8.986
273 2HO* G 26 2HO* G 26 -5.242 -11.672 -11.394
274 H1* G 26 H1* G 26 -5.608 -8.968 -9.377
275 H8 G 26 H8 G 26 -8.567 -9.811 -7.189
276 H1 G 26 H1 G 26 -2.928 -9.884 -4.084
277 1H2 G 26 1H2 G 26 -1.226 -9.976 -5.622
278 2H2 G 26 2H2 G 26 -1.583 -9.901 -7.340
279 1H5* U 27 1H5* U 27 -4.349 -13.251 -11.820
280 2H5* U 27 2H5* U 27 -4.088 -15.000 -11.733
281 H4* U 27 H4* U 27 -2.085 -13.576 -11.147
282 H3* U 27 H3* U 27 -3.111 -15.459 -8.993
283 H2* U 27 H2* U 27 -1.128 -14.867 -7.802
284 2HO* U 27 2HO* U 27 0.217 -14.787 -9.709
285 H1* U 27 H1* U 27 -1.406 -12.193 -8.238
286 H3 U 27 H3 U 27 -2.371 -13.032 -3.833
287 H5 U 27 H5 U 27 -5.975 -13.665 -5.910
288 H6 U 27 H6 U 27 -4.753 -13.554 -7.973
289 1H5* G 28 1H5* G 28 1.147 -16.520 -9.852
290 2H5* G 28 2H5* G 28 1.482 -18.180 -9.330
291 H4* G 28 H4* G 28 2.761 -16.275 -8.173
292 H3* G 28 H3* G 28 1.294 -18.260 -6.465
293 H2* G 28 H2* G 28 2.272 -17.066 -4.583
294 2HO* G 28 2HO* G 28 3.762 -15.450 -4.841
295 H1* G 28 H1* G 28 1.532 -14.608 -5.502
296 H8 G 28 H8 G 28 -1.358 -16.650 -6.663
297 H1 G 28 H1 G 28 -1.380 -15.698 -0.315
298 1H2 G 28 1H2 G 28 0.723 -15.182 0.392
299 2H2 G 28 2H2 G 28 2.015 -14.918 -0.768
300 1H5* U 29 1H5* U 29 5.069 -17.987 -4.888
301 2H5* U 29 2H5* U 29 5.801 -19.540 -4.447
302 H4* U 29 H4* U 29 5.609 -18.052 -2.502
303 H3* U 29 H3* U 29 3.812 -20.501 -2.394
304 H2* U 29 H2* U 29 3.253 -19.862 -0.175
305 2HO* U 29 2HO* U 29 5.550 -19.039 0.076
306 H1* U 29 H1* U 29 2.802 -17.250 -0.786
307 H3 U 29 H3 U 29 -1.410 -19.115 -0.332
308 H5 U 29 H5 U 29 -0.333 -19.523 -4.371
309 H6 U 29 H6 U 29 1.864 -18.922 -3.824
310 1H5* C 30 1H5* C 30 6.208 -20.545 1.037
311 2H5* C 30 2H5* C 30 6.691 -22.186 1.496
312 H4* C 30 H4* C 30 5.392 -20.979 3.252
313 H3* C 30 H3* C 30 4.103 -23.460 2.041
314 H2* C 30 H2* C 30 2.375 -23.244 3.658
315 2HO* C 30 2HO* C 30 2.603 -21.841 5.447
316 H1* C 30 H1* C 30 2.333 -20.429 3.581
317 1H4 C 30 1H4 C 30 -2.819 -22.031 0.366
318 2H4 C 30 2H4 C 30 -1.929 -22.194 -1.136
319 H5 C 30 H5 C 30 0.618 -22.252 -1.142
320 H6 C 30 H6 C 30 2.561 -21.909 0.233
321 H3T C 30 HE C 30 5.085 -23.165 4.637
Start of MODEL 20
1 1H5* G 1 1H5* G 1 -11.542 -22.323 6.057
2 2H5* G 1 2H5* G 1 -11.243 -20.590 6.287
3 H4* G 1 H4* G 1 -9.646 -21.934 7.564
4 H3* G 1 H3* G 1 -8.423 -20.439 5.225
5 H2* G 1 H2* G 1 -6.285 -21.090 6.181
6 2HO* G 1 2HO* G 1 -7.144 -20.889 8.396
7 H1* G 1 H1* G 1 -6.994 -23.686 6.410
8 H8 G 1 H8 G 1 -8.917 -22.680 3.358
9 H1 G 1 H1 G 1 -2.584 -22.505 2.283
10 1H2 G 1 1H2 G 1 -1.475 -22.782 4.252
11 2H2 G 1 2H2 G 1 -2.346 -23.121 5.742
12 1H5* G 2 1H5* G 2 -6.347 -19.270 8.824
13 2H5* G 2 2H5* G 2 -5.805 -17.594 8.739
14 H4* G 2 H4* G 2 -4.039 -19.435 9.158
15 H3* G 2 H3* G 2 -3.644 -17.402 6.976
16 H2* G 2 H2* G 2 -1.541 -18.404 6.480
17 2HO* G 2 2HO* G 2 -1.282 -18.899 8.833
18 H1* G 2 H1* G 2 -2.508 -20.938 6.391
19 H8 G 2 H8 G 2 -5.543 -19.577 4.939
20 H1 G 2 H1 G 2 -0.539 -18.545 1.057
21 1H2 G 2 1H2 G 2 1.370 -18.721 2.210
22 2H2 G 2 2H2 G 2 1.374 -19.063 3.938
23 1H5* C 3 1H5* C 3 -3.085 -13.417 8.124
24 2H5* C 3 2H5* C 3 -3.833 -14.008 6.648
25 H4* C 3 H4* C 3 -1.120 -14.839 7.789
26 H3* C 3 H3* C 3 -2.105 -13.158 5.462
27 H2* C 3 H2* C 3 -0.113 -13.707 4.271
28 2HO* C 3 2HO* C 3 1.036 -13.732 6.456
29 H1* C 3 H1* C 3 -0.321 -16.370 4.761
30 1H4 C 3 1H4 C 3 -3.866 -15.671 -0.500
31 2H4 C 3 2H4 C 3 -5.295 -15.545 0.496
32 H5 C 3 H5 C 3 -5.207 -15.431 2.963
33 H6 C 3 H6 C 3 -3.746 -15.441 4.866
34 1H5* A 4 1H5* A 4 1.797 -11.720 6.030
35 2H5* A 4 2H5* A 4 1.880 -9.954 5.866
36 H4* A 4 H4* A 4 3.257 -11.191 4.179
37 H3* A 4 H3* A 4 0.948 -9.522 3.134
38 H2* A 4 H2* A 4 1.716 -10.049 0.931
39 2HO* A 4 2HO* A 4 3.988 -9.867 1.703
40 H1* A 4 H1* A 4 2.129 -12.703 1.432
41 H8 A 4 H8 A 4 -1.024 -11.756 3.311
42 1H6 A 4 1H6 A 4 -3.982 -12.851 -2.017
43 2H6 A 4 2H6 A 4 -4.125 -12.580 -0.287
44 H2 A 4 H2 A 4 0.415 -12.603 -2.901
45 1H5* C 5 1H5* C 5 4.515 -7.946 1.056
46 2H5* C 5 2H5* C 5 4.261 -6.239 0.645
47 H4* C 5 H4* C 5 4.510 -7.830 -1.326
48 H3* C 5 H3* C 5 1.945 -6.226 -1.105
49 H2* C 5 H2* C 5 1.368 -7.180 -3.245
50 2HO* C 5 2HO* C 5 3.753 -7.036 -3.813
51 H1* C 5 H1* C 5 2.147 -9.731 -2.600
52 1H4 C 5 1H4 C 5 -4.152 -9.370 -1.705
53 2H4 C 5 2H4 C 5 -3.937 -8.762 -0.079
54 H5 C 5 H5 C 5 -1.661 -8.272 0.875
55 H6 C 5 H6 C 5 0.667 -8.163 0.352
56 1H5* U 6 1H5* U 6 2.975 -5.699 -5.138
57 2H5* U 6 2H5* U 6 2.640 -4.071 -5.730
58 H4* U 6 H4* U 6 1.386 -5.937 -6.890
59 H3* U 6 H3* U 6 -0.211 -3.743 -5.558
60 H2* U 6 H2* U 6 -2.219 -4.812 -6.287
61 2HO* U 6 2HO* U 6 -1.054 -5.358 -8.344
62 H1* U 6 H1* U 6 -1.447 -7.349 -5.696
63 H3 U 6 H3 U 6 -4.753 -6.181 -2.755
64 H5 U 6 H5 U 6 -1.109 -5.203 -0.892
65 H6 U 6 H6 U 6 -0.009 -5.505 -2.979
66 1H5* C 7 1H5* C 7 -0.725 -2.922 -9.928
67 2H5* C 7 2H5* C 7 -0.886 -1.202 -10.331
68 H4* C 7 H4* C 7 -3.115 -2.416 -10.053
69 H3* C 7 H3* C 7 -2.461 -0.186 -8.099
70 H2* C 7 H2* C 7 -4.662 -0.446 -7.285
71 2HO* C 7 2HO* C 7 -5.733 -0.459 -9.284
72 H1* C 7 H1* C 7 -4.733 -3.248 -7.826
73 1H4 C 7 1H4 C 7 -4.841 -2.873 -1.546
74 2H4 C 7 2H4 C 7 -3.097 -2.712 -1.411
75 H5 C 7 H5 C 7 -1.659 -2.467 -3.535
76 H6 C 7 H6 C 7 -1.790 -2.274 -5.920
77 1H5* U 8 1H5* U 8 -6.124 0.446 -11.071
78 2H5* U 8 2H5* U 8 -6.279 2.201 -11.283
79 H4* U 8 H4* U 8 -8.463 1.081 -10.821
80 H3* U 8 H3* U 8 -7.459 3.058 -8.750
81 H2* U 8 H2* U 8 -9.594 2.783 -7.672
82 2HO* U 8 2HO* U 8 -10.598 2.676 -9.875
83 H1* U 8 H1* U 8 -9.678 0.048 -7.972
84 H3 U 8 H3 U 8 -9.116 0.651 -3.478
85 H5 U 8 H5 U 8 -5.267 1.073 -5.132
86 H6 U 8 H6 U 8 -6.259 1.152 -7.319
87 1H5* G 9 1H5* G 9 -11.499 4.546 -9.740
88 2H5* G 9 2H5* G 9 -11.489 6.306 -9.524
89 H4* G 9 H4* G 9 -13.068 5.080 -7.999
90 H3* G 9 H3* G 9 -10.824 6.634 -6.682
91 H2* G 9 H2* G 9 -11.882 6.056 -4.571
92 2HO* G 9 2HO* G 9 -14.038 6.266 -5.629
93 H1* G 9 H1* G 9 -12.213 3.428 -5.203
94 H8 G 9 H8 G 9 -8.877 4.629 -6.687
95 H1 G 9 H1 G 9 -8.703 3.309 -0.402
96 1H2 G 9 1H2 G 9 -10.821 3.251 0.412
97 2H2 G 9 2H2 G 9 -12.193 3.262 -0.690
98 1H5* G 10 1H5* G 10 -14.685 7.808 -4.793
99 2H5* G 10 2H5* G 10 -14.596 9.483 -4.231
100 H4* G 10 H4* G 10 -15.101 7.712 -2.461
101 H3* G 10 H3* G 10 -12.749 9.581 -2.112
102 H2* G 10 H2* G 10 -12.402 8.558 0.054
103 2HO* G 10 2HO* G 10 -14.839 8.421 0.235
104 H1* G 10 H1* G 10 -12.761 5.983 -0.808
105 H8 G 10 H8 G 10 -10.809 7.639 -3.591
106 H1 G 10 H1 G 10 -7.258 6.196 1.565
107 1H2 G 10 1H2 G 10 -8.619 5.942 3.369
108 2H2 G 10 2H2 G 10 -10.371 5.945 3.185
109 1H5* U 11 1H5* U 11 -14.879 9.683 1.771
110 2H5* U 11 2H5* U 11 -14.853 11.358 2.356
111 H4* U 11 H4* U 11 -13.685 9.743 3.941
112 H3* U 11 H3* U 11 -11.959 11.877 2.707
113 H2* U 11 H2* U 11 -10.321 11.030 4.280
114 2HO* U 11 2HO* U 11 -11.773 10.702 6.018
115 H1* U 11 H1* U 11 -10.814 8.404 3.745
116 H3 U 11 H3 U 11 -6.699 9.429 2.101
117 H5 U 11 H5 U 11 -9.399 10.710 -0.876
118 H6 U 11 H6 U 11 -11.199 10.340 0.669
119 1H5* A 12 1H5* A 12 -12.920 13.049 7.000
120 2H5* A 12 2H5* A 12 -12.376 14.675 7.454
121 H4* A 12 H4* A 12 -10.986 12.684 8.302
122 H3* A 12 H3* A 12 -9.626 14.862 6.724
123 H2* A 12 H2* A 12 -7.578 13.716 7.177
124 2HO* A 12 2HO* A 12 -8.054 13.244 9.372
125 H1* A 12 H1* A 12 -8.647 11.164 6.643
126 H8 A 12 H8 A 12 -10.020 13.603 4.178
127 1H6 A 12 1H6 A 12 -4.956 12.635 0.786
128 2H6 A 12 2H6 A 12 -6.611 13.224 0.824
129 H2 A 12 H2 A 12 -4.076 11.286 4.983
130 1H5* U 13 1H5* U 13 -6.399 16.357 10.990
131 2H5* U 13 2H5* U 13 -6.430 16.886 9.311
132 H4* U 13 H4* U 13 -4.893 14.595 10.541
133 H3* U 13 H3* U 13 -4.435 16.951 8.694
134 H2* U 13 H2* U 13 -2.696 15.865 7.545
135 2HO* U 13 2HO* U 13 -2.105 14.881 9.769
136 H1* U 13 H1* U 13 -3.966 13.452 7.315
137 H3 U 13 H3 U 13 -4.406 15.092 3.101
138 H5 U 13 H5 U 13 -7.710 16.524 5.298
139 H6 U 13 H6 U 13 -6.530 15.969 7.312
140 1H5* C 14 1H5* C 14 -0.768 16.627 9.523
141 2H5* C 14 2H5* C 14 -0.048 18.153 10.074
142 H4* C 14 H4* C 14 1.070 17.535 8.063
143 H3* C 14 H3* C 14 -1.014 19.636 7.384
144 H2* C 14 H2* C 14 0.094 19.644 5.172
145 2HO* C 14 2HO* C 14 2.167 19.169 6.451
146 H1* C 14 H1* C 14 0.012 16.935 5.005
147 1H4 C 14 1H4 C 14 -5.507 19.026 2.536
148 2H4 C 14 2H4 C 14 -6.232 19.184 4.120
149 H5 C 14 H5 C 14 -4.935 18.718 6.215
150 H6 C 14 H6 C 14 -2.787 18.141 7.067
151 1H5* A 15 1H5* A 15 0.295 22.804 5.638
152 2H5* A 15 2H5* A 15 1.321 21.357 5.446
153 H4* A 15 H4* A 15 1.900 24.255 4.905
154 H3* A 15 H3* A 15 1.037 22.310 3.236
155 H2* A 15 H2* A 15 2.632 20.664 3.734
156 2HO* A 15 2HO* A 15 3.342 22.299 1.596
157 H1* A 15 H1* A 15 4.824 22.737 3.610
158 H8 A 15 H8 A 15 3.905 19.250 4.683
159 1H6 A 15 1H6 A 15 9.400 19.047 7.498
160 2H6 A 15 2H6 A 15 7.984 18.135 6.979
161 H2 A 15 H2 A 15 8.655 23.281 6.282
162 1H5* C 16 1H5* C 16 1.374 21.643 0.375
163 2H5* C 16 2H5* C 16 1.387 22.952 -0.758
164 H4* C 16 H4* C 16 0.136 21.139 -1.596
165 H3* C 16 H3* C 16 -1.030 23.571 -1.891
166 H2* C 16 H2* C 16 -1.969 23.681 0.368
167 2HO* C 16 2HO* C 16 -3.780 22.837 -1.594
168 H1* C 16 H1* C 16 -3.192 20.953 -0.062
169 1H4 C 16 1H4 C 16 -4.043 22.202 6.234
170 2H4 C 16 2H4 C 16 -2.324 21.968 6.515
171 H5 C 16 H5 C 16 -0.782 21.462 4.657
172 H6 C 16 H6 C 16 -0.539 21.224 2.302
173 1H5* G 17 1H5* G 17 0.958 22.308 -4.078
174 2H5* G 17 2H5* G 17 0.646 21.285 -5.447
175 H4* G 17 H4* G 17 2.815 20.902 -4.814
176 H3* G 17 H3* G 17 1.276 18.732 -3.342
177 H2* G 17 H2* G 17 3.484 17.957 -2.813
178 2HO* G 17 2HO* G 17 3.977 18.480 -5.214
179 H1* G 17 H1* G 17 4.589 20.594 -2.839
180 H8 G 17 H8 G 17 5.841 19.935 -0.786
181 H1 G 17 H1 G 17 0.608 17.983 2.302
182 1H2 G 17 1H2 G 17 -1.117 17.872 0.922
183 2H2 G 17 2H2 G 17 -0.983 18.422 -0.740
184 1H5* G 18 1H5* G 18 3.500 16.493 -4.433
185 2H5* G 18 2H5* G 18 2.917 14.956 -4.934
186 H4* G 18 H4* G 18 4.202 15.292 -2.630
187 H3* G 18 H3* G 18 1.728 13.557 -2.773
188 H2* G 18 H2* G 18 2.073 13.162 -0.411
189 2HO* G 18 2HO* G 18 4.484 13.225 -0.846
190 H1* G 18 H1* G 18 2.558 15.770 0.232
191 H8 G 18 H8 G 18 -0.130 15.506 -2.492
192 H1 G 18 H1 G 18 -2.289 14.568 3.501
193 1H2 G 18 1H2 G 18 -0.534 14.276 4.894
194 2H2 G 18 2H2 G 18 1.118 14.441 4.321
195 1H5* U 19 1H5* U 19 4.697 11.444 -0.251
196 2H5* U 19 2H5* U 19 4.466 9.703 -0.396
197 H4* U 19 H4* U 19 4.184 10.724 1.916
198 H3* U 19 H3* U 19 1.914 9.040 0.800
199 H2* U 19 H2* U 19 0.935 9.273 2.999
200 2HO* U 19 2HO* U 19 3.020 9.110 4.061
201 H1* U 19 H1* U 19 1.352 11.946 3.176
202 H3 U 19 H3 U 19 -3.146 11.576 2.289
203 H5 U 19 H5 U 19 -1.235 11.487 -1.460
204 H6 U 19 H6 U 19 0.852 11.233 -0.349
205 1H5* A 20 1H5* A 20 3.371 7.132 4.474
206 2H5* A 20 2H5* A 20 3.089 5.381 4.453
207 H4* A 20 H4* A 20 1.899 6.609 6.272
208 H3* A 20 H3* A 20 0.083 5.154 4.284
209 H2* A 20 H2* A 20 -1.691 5.807 5.699
210 2HO* A 20 2HO* A 20 -0.110 5.687 7.622
211 H1* A 20 H1* A 20 -1.050 8.274 5.927
212 H8 A 20 H8 A 20 0.160 7.392 2.372
213 1H6 A 20 1H6 A 20 -5.419 9.045 0.430
214 2H6 A 20 2H6 A 20 -3.785 8.587 0.028
215 H2 A 20 H2 A 20 -5.585 8.691 4.949
216 1H5* C 21 1H5* C 21 -1.507 4.519 7.894
217 2H5* C 21 2H5* C 21 -1.943 2.910 8.212
218 H4* C 21 H4* C 21 -3.859 4.396 8.440
219 H3* C 21 H3* C 21 -4.154 2.546 6.033
220 H2* C 21 H2* C 21 -6.324 3.527 5.771
221 2HO* C 21 2HO* C 21 -6.533 3.641 8.176
222 H1* C 21 H1* C 21 -5.441 6.097 6.060
223 1H4 C 21 1H4 C 21 -5.191 5.631 -0.152
224 2H4 C 21 2H4 C 21 -3.520 5.096 -0.116
225 H5 C 21 H5 C 21 -2.394 4.467 2.060
226 H6 C 21 H6 C 21 -2.682 4.390 4.429
227 1H5* C 22 1H5* C 22 -7.754 2.026 8.374
228 2H5* C 22 2H5* C 22 -8.360 0.362 8.233
229 H4* C 22 H4* C 22 -9.916 2.145 7.324
230 H3* C 22 H3* C 22 -8.884 0.025 5.410
231 H2* C 22 H2* C 22 -10.284 1.007 3.750
232 2HO* C 22 2HO* C 22 -11.909 1.396 5.564
233 H1* C 22 H1* C 22 -9.717 3.621 4.422
234 1H4 C 22 1H4 C 22 -6.156 2.594 -0.654
235 2H4 C 22 2H4 C 22 -4.837 1.935 0.291
236 H5 C 22 H5 C 22 -5.054 1.603 2.798
237 H6 C 22 H6 C 22 -6.556 1.773 4.648
238 1H5* U 23 1H5* U 23 -13.033 0.060 4.499
239 2H5* U 23 2H5* U 23 -13.569 -1.594 4.168
240 H4* U 23 H4* U 23 -13.809 -0.038 2.227
241 H3* U 23 H3* U 23 -11.911 -2.375 1.869
242 H2* U 23 H2* U 23 -11.763 -1.686 -0.456
243 2HO* U 23 2HO* U 23 -14.086 -1.126 -0.448
244 H1* U 23 H1* U 23 -11.545 0.977 0.117
245 H3 U 23 H3 U 23 -7.423 -0.079 -1.402
246 H5 U 23 H5 U 23 -7.476 -1.562 2.542
247 H6 U 23 H6 U 23 -9.821 -1.050 2.648
248 1H5* U 24 1H5* U 24 -14.960 -2.366 -1.416
249 2H5* U 24 2H5* U 24 -15.229 -4.030 -1.957
250 H4* U 24 H4* U 24 -14.451 -2.445 -3.761
251 H3* U 24 H3* U 24 -12.673 -4.818 -3.109
252 H2* U 24 H2* U 24 -11.415 -4.170 -5.080
253 2HO* U 24 2HO* U 24 -13.530 -3.549 -6.115
254 H1* U 24 H1* U 24 -11.446 -1.486 -4.459
255 H3 U 24 H3 U 24 -7.110 -2.704 -3.850
256 H5 U 24 H5 U 24 -9.066 -4.241 -0.474
257 H6 U 24 H6 U 24 -11.194 -3.676 -1.488
258 1H5* U 25 1H5* U 25 -13.361 -5.002 -7.372
259 2H5* U 25 2H5* U 25 -13.456 -6.696 -7.874
260 H4* U 25 H4* U 25 -11.656 -5.420 -9.024
261 H3* U 25 H3* U 25 -10.696 -7.695 -7.239
262 H2* U 25 H2* U 25 -8.556 -7.310 -8.212
263 2HO* U 25 2HO* U 25 -9.578 -6.895 -10.332
264 H1* U 25 H1* U 25 -8.708 -4.570 -7.994
265 H3 U 25 H3 U 25 -5.606 -5.922 -4.912
266 H5 U 25 H5 U 25 -9.295 -6.600 -3.048
267 H6 U 25 H6 U 25 -10.401 -6.119 -5.141
268 1H5* G 26 1H5* G 26 -9.418 -8.763 -11.192
269 2H5* G 26 2H5* G 26 -9.350 -10.526 -11.374
270 H4* G 26 H4* G 26 -7.144 -9.323 -11.616
271 H3* G 26 H3* G 26 -7.400 -11.361 -9.385
272 H2* G 26 H2* G 26 -5.024 -11.021 -9.024
273 2HO* G 26 2HO* G 26 -4.731 -10.798 -11.406
274 H1* G 26 H1* G 26 -5.191 -8.284 -9.166
275 H8 G 26 H8 G 26 -8.308 -9.258 -7.280
276 H1 G 26 H1 G 26 -2.897 -9.822 -3.838
277 1H2 G 26 1H2 G 26 -1.096 -9.811 -5.267
278 2H2 G 26 2H2 G 26 -1.339 -9.548 -6.986
279 1H5* U 27 1H5* U 27 -3.838 -12.369 -11.883
280 2H5* U 27 2H5* U 27 -3.632 -14.125 -11.929
281 H4* U 27 H4* U 27 -1.635 -12.833 -11.112
282 H3* U 27 H3* U 27 -2.824 -14.829 -9.145
283 H2* U 27 H2* U 27 -0.884 -14.410 -7.854
284 2HO* U 27 2HO* U 27 0.522 -14.211 -9.737
285 H1* U 27 H1* U 27 -1.074 -11.708 -8.060
286 H3 U 27 H3 U 27 -2.319 -12.965 -3.817
287 H5 U 27 H5 U 27 -5.808 -13.271 -6.160
288 H6 U 27 H6 U 27 -4.459 -12.971 -8.120
289 1H5* G 28 1H5* G 28 1.365 -15.931 -9.917
290 2H5* G 28 2H5* G 28 1.672 -17.633 -9.532
291 H4* G 28 H4* G 28 2.922 -15.836 -8.188
292 H3* G 28 H3* G 28 1.423 -17.987 -6.708
293 H2* G 28 H2* G 28 2.374 -16.978 -4.693
294 2HO* G 28 2HO* G 28 4.362 -16.484 -6.062
295 H1* G 28 H1* G 28 1.680 -14.429 -5.388
296 H8 G 28 H8 G 28 -1.197 -16.255 -6.827
297 H1 G 28 H1 G 28 -1.503 -16.025 -0.423
298 1H2 G 28 1H2 G 28 0.507 -15.562 0.455
299 2H2 G 28 2H2 G 28 1.899 -15.267 -0.556
300 1H5* U 29 1H5* U 29 5.274 -18.091 -5.145
301 2H5* U 29 2H5* U 29 5.874 -19.743 -4.893
302 H4* U 29 H4* U 29 5.754 -18.477 -2.786
303 H3* U 29 H3* U 29 3.779 -20.783 -2.985
304 H2* U 29 H2* U 29 3.252 -20.370 -0.706
305 2HO* U 29 2HO* U 29 5.607 -19.779 -0.362
306 H1* U 29 H1* U 29 3.034 -17.662 -1.013
307 H3 U 29 H3 U 29 -1.302 -19.202 -0.670
308 H5 U 29 H5 U 29 -0.316 -19.336 -4.753
309 H6 U 29 H6 U 29 1.936 -18.923 -4.197
310 1H5* C 30 1H5* C 30 6.103 -21.478 0.398
311 2H5* C 30 2H5* C 30 6.488 -23.196 0.593
312 H4* C 30 H4* C 30 5.257 -22.229 2.522
313 H3* C 30 H3* C 30 3.800 -24.366 0.912
314 H2* C 30 H2* C 30 2.083 -24.307 2.547
315 2HO* C 30 2HO* C 30 2.402 -23.275 4.561
316 H1* C 30 H1* C 30 2.272 -21.526 2.989
317 1H4 C 30 1H4 C 30 -3.011 -22.045 -0.370
318 2H4 C 30 2H4 C 30 -2.136 -21.998 -1.886
319 H5 C 30 H5 C 30 0.391 -22.304 -1.947
320 H6 C 30 H6 C 30 2.357 -22.390 -0.567
321 H3T C 30 HE C 30 4.793 -24.597 3.510
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