NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
11193 |
1r4d   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* C 1 1H5* C 1 59.118 41.279 -18.931
2 2H5* C 1 2H5* C 1 60.158 40.104 -18.104
3 H4* C 1 H4* C 1 60.465 40.517 -21.040
4 H3* C 1 H3* C 1 57.927 39.977 -20.310
5 H1* C 1 H1* C 1 60.393 37.127 -21.117
6 1H4 C 1 H41 C 1 62.069 34.152 -15.452
7 2H4 C 1 H42 C 1 61.638 32.877 -16.571
8 H5 C 1 H5 C 1 61.827 36.502 -15.989
9 H6 C 1 H6 C 1 61.132 38.094 -17.700
10 H5T C 1 H5* C 1 61.854 41.326 -19.515
11 1H2* C 1 1H2* C 1 58.349 37.998 -19.018
12 2H2* C 1 2H2* C 1 58.049 37.296 -20.602
13 H3* 8MG 2 H3* G 2 59.351 40.122 -25.186
14 1H2* 8MG 2 1H2* G 2 61.678 40.284 -25.007
15 2H2* 8MG 2 2H2* G 2 61.743 41.697 -26.050
16 H1* 8MG 2 H1* G 2 61.695 43.148 -24.304
17 H4* 8MG 2 H4* G 2 59.081 43.096 -25.397
18 1H5* 8MG 2 1H5* G 2 57.139 42.947 -24.237
19 2H5* 8MG 2 2H5* G 2 57.160 41.359 -25.029
20 1HC 8MG 2 1HC CH3 2 61.198 43.812 -21.709
21 2HC 8MG 2 2HC CH3 2 62.760 44.336 -22.384
22 3HC 8MG 2 3HC CH3 2 62.617 43.975 -20.647
23 H1 8MG 2 H1 G 2 63.426 37.172 -21.314
24 1H2 8MG 2 H21 G 2 61.562 36.974 -24.226
25 2H2 8MG 2 H22 G 2 62.440 36.120 -22.972
26 1H5* C 3 1H5* C 3 62.424 40.055 -29.706
27 2H5* C 3 2H5* C 3 60.943 39.124 -30.010
28 H4* C 3 H4* C 3 62.769 37.618 -30.015
29 H3* C 3 H3* C 3 60.635 37.065 -28.461
30 H1* C 3 H1* C 3 64.204 36.655 -27.148
31 1H4 C 3 H41 C 3 65.558 41.427 -22.768
32 2H4 C 3 H42 C 3 66.266 39.942 -22.169
33 H5 C 3 H5 C 3 64.188 41.495 -24.778
34 H6 C 3 H6 C 3 63.219 40.158 -26.574
35 1H2* C 3 1H2* C 3 61.520 37.911 -26.386
36 2H2* C 3 2H2* C 3 61.984 36.218 -26.292
37 1H5* G 4 1H5* G 4 59.255 33.017 -31.107
38 2H5* G 4 2H5* G 4 60.537 32.288 -30.120
39 H4* G 4 H4* G 4 60.759 32.949 -32.738
40 H3* G 4 H3* G 4 62.787 32.432 -30.628
41 H1* G 4 H1* G 4 62.546 34.796 -33.759
42 H8 G 4 H8 G 4 62.733 37.360 -33.920
43 H1 G 4 H1 G 4 66.631 37.511 -28.836
44 1H2 G 4 H21 G 4 65.811 34.164 -28.498
45 2H2 G 4 H22 G 4 66.713 35.522 -27.865
46 1H2* G 4 1H2* G 4 64.417 33.728 -31.673
47 2H2* G 4 2H2* G 4 63.987 33.075 -33.247
48 1H5* DFC 5 1H5* C 5 65.565 29.008 -33.930
49 2H5* DFC 5 2H5* C 5 66.414 30.462 -34.496
50 H4* DFC 5 H4* C 5 66.536 29.058 -31.872
51 H3* DFC 5 H3* C 5 68.374 29.089 -33.804
52 1H2* DFC 5 1H2* C 5 68.719 31.449 -33.987
53 2H2* DFC 5 2H2* C 5 69.956 31.045 -32.805
54 H1* DFC 5 H1* C 5 68.647 31.768 -30.963
55 1H4 DFC 5 H41 C 5 66.594 37.386 -33.830
56 2H4 DFC 5 H42 C 5 67.633 37.813 -32.487
57 H5 DFC 5 H5 C 5 66.138 35.080 -34.444
58 H6 DFC 5 H6 C 5 66.585 32.745 -33.892
59 1H5* DFG 6 1H5* G 6 71.578 29.723 -33.219
60 2H5* DFG 6 2H5* G 6 70.983 30.006 -31.570
61 H4* DFG 6 H4* G 6 73.258 28.998 -30.844
62 H3* DFG 6 H3* G 6 73.921 28.464 -33.324
63 1H2* DFG 6 1H2* G 6 73.446 30.561 -34.370
64 2H2* DFG 6 2H2* G 6 75.150 30.789 -34.007
65 H1* DFG 6 H1* G 6 74.720 32.212 -32.193
66 H8 DFG 6 H8 G 6 71.522 31.516 -34.238
67 H1 DFG 6 H1 G 6 72.400 37.589 -32.385
68 1H2 DFG 6 H21 G 6 75.106 36.336 -30.629
69 2H2 DFG 6 H22 G 6 74.137 37.734 -31.056
70 1H5* C 7 1H5* C 7 79.281 30.487 -32.946
71 2H5* C 7 2H5* C 7 78.651 30.939 -31.349
72 H4* C 7 H4* C 7 79.899 32.659 -32.877
73 H3* C 7 H3* C 7 78.377 33.031 -30.646
74 H1* C 7 H1* C 7 77.988 35.011 -33.824
75 1H4 C 7 H41 C 7 72.389 33.706 -37.067
76 2H4 C 7 H42 C 7 72.346 35.424 -36.736
77 H5 C 7 H5 C 7 74.112 32.246 -36.187
78 H6 C 7 H6 C 7 76.136 32.144 -34.829
79 1H2* C 7 1H2* C 7 76.298 33.448 -31.799
80 2H2* C 7 2H2* C 7 76.930 35.079 -31.618
81 1H5* G 8 1H5* G 8 82.282 36.819 -29.067
82 2H5* G 8 2H5* G 8 81.550 37.127 -30.655
83 H4* G 8 H4* G 8 83.647 35.219 -29.841
84 H3* G 8 H3* G 8 83.089 36.909 -32.253
85 H1* G 8 H1* G 8 83.694 33.024 -31.944
86 H8 G 8 H8 G 8 82.837 31.433 -33.689
87 H1 G 8 H1 G 8 78.996 35.877 -36.242
88 1H2 G 8 H21 G 8 80.314 37.975 -33.838
89 2H2 G 8 H22 G 8 79.195 37.773 -35.172
90 1H2* G 8 1H2* G 8 84.123 35.325 -33.665
91 2H2* G 8 2H2* G 8 85.163 34.721 -32.383
92 1H5* C 9 1H5* C 9 86.538 38.104 -34.844
93 2H5* C 9 2H5* C 9 86.550 39.517 -33.769
94 H4* C 9 H4* C 9 85.598 40.452 -35.587
95 H3* C 9 H3* C 9 83.743 40.199 -33.657
96 H1* C 9 H1* C 9 82.946 39.152 -37.276
97 1H4 C 9 H41 C 9 82.755 32.536 -37.520
98 2H4 C 9 H42 C 9 81.455 33.132 -38.530
99 H5 C 9 H5 C 9 84.171 34.010 -36.211
100 H6 C 9 H6 C 9 84.611 36.332 -35.606
101 1H2* C 9 1H2* C 9 82.759 38.133 -34.400
102 2H2* C 9 2H2* C 9 81.725 39.305 -35.205
103 1H5* G 10 1H5* G 10 82.803 44.450 -37.159
104 2H5* G 10 2H5* G 10 83.487 42.823 -36.965
105 H4* G 10 H4* G 10 84.762 45.408 -36.065
106 H3* G 10 H3* G 10 85.177 43.794 -38.558
107 H1* G 10 H1* G 10 87.707 43.916 -35.587
108 H8 G 10 H8 G 10 89.200 41.891 -35.538
109 H1 G 10 H1 G 10 85.371 38.638 -39.521
110 1H2 G 10 H21 G 10 83.498 41.549 -39.598
111 2H2 G 10 H22 G 10 83.680 39.897 -40.151
112 1H2* G 10 1H2* G 10 87.541 44.108 -38.391
113 2H2* G 10 2H2* G 10 87.379 45.467 -37.288
114 1H5* C 11 1H5* C 11 81.289 33.295 -44.424
115 2H5* C 11 2H5* C 11 81.400 32.997 -42.678
116 H4* C 11 H4* C 11 79.369 34.928 -43.113
117 H3* C 11 H3* C 11 80.919 35.304 -45.274
118 H1* C 11 H1* C 11 81.672 37.224 -42.004
119 1H4 C 11 H41 C 11 87.155 34.547 -39.413
120 2H4 C 11 H42 C 11 87.110 36.233 -38.941
121 H5 C 11 H5 C 11 85.478 33.548 -40.853
122 H6 C 11 H6 C 11 83.432 33.963 -42.115
123 H5T C 11 H5* C 11 79.125 32.683 -42.676
124 1H2* C 11 1H2* C 11 83.033 35.543 -44.160
125 2H2* C 11 2H2* C 11 82.519 37.222 -44.250
126 H3* 8MG 12 H3* G 12 76.592 38.421 -42.877
127 1H2* 8MG 12 1H2* G 12 75.628 37.021 -41.250
128 2H2* 8MG 12 2H2* G 12 74.069 36.993 -42.060
129 H1* 8MG 12 H1* G 12 74.577 35.022 -43.046
130 H4* 8MG 12 H4* G 12 74.729 37.455 -45.002
131 1H5* 8MG 12 1H5* G 12 76.301 38.055 -46.427
132 2H5* 8MG 12 2H5* G 12 77.167 38.768 -45.050
133 1HC 8MG 12 1HC CH3 12 76.467 31.702 -43.260
134 2HC 8MG 12 2HC CH3 12 76.186 33.165 -44.234
135 3HC 8MG 12 3HC CH3 12 74.956 32.623 -43.067
136 H1 8MG 12 H1 G 12 80.259 35.740 -39.160
137 1H2 8MG 12 H21 G 12 78.628 38.649 -40.086
138 2H2 8MG 12 H22 G 12 79.920 37.911 -39.159
139 1H5* C 13 1H5* C 13 72.575 39.624 -39.607
140 2H5* C 13 2H5* C 13 73.232 41.186 -40.139
141 H4* C 13 H4* C 13 73.729 40.970 -37.846
142 H3* C 13 H3* C 13 75.765 41.441 -39.593
143 H1* C 13 H1* C 13 76.053 38.939 -36.692
144 1H4 C 13 H41 C 13 76.326 32.803 -39.148
145 2H4 C 13 H42 C 13 77.553 32.925 -37.904
146 H5 C 13 H5 C 13 75.003 34.722 -39.855
147 H6 C 13 H6 C 13 74.625 37.110 -39.527
148 1H2* C 13 1H2* C 13 76.681 39.237 -39.668
149 2H2* C 13 2H2* C 13 77.572 39.886 -38.299
150 1H5* G 14 1H5* G 14 74.237 45.869 -38.234
151 2H5* G 14 2H5* G 14 75.450 45.580 -36.971
152 H4* G 14 H4* G 14 72.921 45.634 -36.391
153 H3* G 14 H3* G 14 75.016 43.867 -35.245
154 H1* G 14 H1* G 14 71.153 43.634 -35.866
155 H8 G 14 H8 G 14 70.070 42.004 -37.738
156 H1 G 14 H1 G 14 73.451 37.203 -35.176
157 1H2 G 14 H21 G 14 75.225 39.719 -33.580
158 2H2 G 14 H22 G 14 75.040 38.001 -33.851
159 1H2* G 14 1H2* G 14 73.481 42.264 -34.542
160 2H2* G 14 2H2* G 14 72.408 43.515 -33.930
161 1H5* DFC 15 1H5* C 15 73.308 46.068 -30.565
162 2H5* DFC 15 2H5* C 15 72.919 45.271 -32.104
163 H4* DFC 15 H4* C 15 75.314 44.245 -30.760
164 H3* DFC 15 H3* C 15 73.210 44.648 -28.974
165 1H2* DFC 15 1H2* C 15 71.747 42.965 -29.765
166 2H2* DFC 15 2H2* C 15 72.819 41.922 -28.840
167 H1* DFC 15 H1* C 15 74.141 41.340 -30.737
168 1H4 DFC 15 H41 C 15 68.823 39.693 -34.340
169 2H4 DFC 15 H42 C 15 69.736 38.232 -34.024
170 H5 DFC 15 H5 C 15 69.494 41.861 -33.484
171 H6 DFC 15 H6 C 15 71.159 43.049 -32.156
172 1H5* DFG 16 1H5* G 16 72.783 43.311 -25.440
173 2H5* DFG 16 2H5* G 16 73.084 42.778 -27.106
174 H4* DFG 16 H4* G 16 74.683 41.243 -25.291
175 H3* DFG 16 H3* G 16 72.553 41.863 -23.795
176 1H2* DFG 16 1H2* G 16 70.820 41.228 -25.326
177 2H2* DFG 16 2H2* G 16 71.011 39.734 -24.419
178 H1* DFG 16 H1* G 16 72.375 38.722 -26.089
179 H8 DFG 16 H8 G 16 70.760 41.853 -27.727
180 H1 DFG 16 H1 G 16 69.343 36.191 -30.377
181 1H2 DFG 16 H21 G 16 71.374 34.871 -27.906
182 2H2 DFG 16 H22 G 16 70.346 34.572 -29.293
183 1H5* C 17 1H5* C 17 70.726 38.110 -20.864
184 2H5* C 17 2H5* C 17 72.033 36.924 -21.056
185 H4* C 17 H4* C 17 69.851 35.916 -21.345
186 H3* C 17 H3* C 17 71.950 35.411 -23.049
187 H1* C 17 H1* C 17 68.340 35.760 -24.024
188 1H4 C 17 H41 C 17 67.174 41.079 -27.778
189 2H4 C 17 H42 C 17 66.552 39.716 -28.678
190 H5 C 17 H5 C 17 68.398 40.827 -25.699
191 H6 C 17 H6 C 17 69.249 39.225 -24.068
192 1H2* C 17 1H2* C 17 71.120 36.733 -24.885
193 2H2* C 17 2H2* C 17 70.392 35.173 -25.240
194 1H5* G 18 1H5* G 18 70.902 29.921 -22.013
195 2H5* G 18 2H5* G 18 69.530 30.790 -22.729
196 H4* G 18 H4* G 18 70.518 30.712 -19.960
197 H3* G 18 H3* G 18 67.846 30.924 -21.287
198 H1* G 18 H1* G 18 69.685 33.053 -18.527
199 H8 G 18 H8 G 18 69.442 35.501 -18.066
200 H1 G 18 H1 G 18 65.685 36.410 -23.171
201 1H2 G 18 H21 G 18 66.138 33.026 -23.737
202 2H2 G 18 H22 G 18 65.416 34.529 -24.272
203 1H2* G 18 1H2* G 18 67.028 32.329 -19.601
204 2H2* G 18 2H2* G 18 67.986 31.531 -18.362
205 1H5* C 19 1H5* C 19 64.327 30.121 -18.370
206 2H5* C 19 2H5* C 19 64.444 28.537 -19.164
207 H4* C 19 H4* C 19 62.759 29.322 -20.397
208 H3* C 19 H3* C 19 64.936 29.501 -21.939
209 H1* C 19 H1* C 19 62.634 32.624 -21.574
210 1H4 C 19 H41 C 19 65.856 36.786 -17.553
211 2H4 C 19 H42 C 19 65.025 37.754 -18.752
212 H5 C 19 H5 C 19 65.844 34.362 -17.597
213 H6 C 19 H6 C 19 65.041 32.393 -18.793
214 1H2* C 19 1H2* C 19 65.556 31.769 -21.458
215 2H2* C 19 2H2* C 19 64.537 32.008 -22.871
216 1H5* G 20 1H5* G 20 60.104 29.539 -24.786
217 2H5* G 20 2H5* G 20 61.006 29.856 -23.288
218 H4* G 20 H4* G 20 60.183 27.118 -24.253
219 H3* G 20 H3* G 20 58.686 29.029 -22.499
220 H1* G 20 H1* G 20 60.584 25.947 -21.067
221 H8 G 20 H8 G 20 61.059 26.336 -18.619
222 H1 G 20 H1 G 20 60.306 32.673 -19.222
223 1H2 G 20 H21 G 20 59.450 31.943 -22.497
224 2H2 G 20 H22 G 20 59.692 33.177 -21.277
225 1H2* G 20 1H2* G 20 58.115 27.252 -20.998
226 2H2* G 20 2H2* G 20 58.520 26.005 -22.169
Start of MODEL 2
1 1H5* C 1 1H5* C 1 59.825 40.417 -18.879
2 2H5* C 1 2H5* C 1 61.372 40.588 -19.733
3 H4* C 1 H4* C 1 59.899 40.497 -21.867
4 H3* C 1 H3* C 1 57.730 40.355 -20.302
5 H1* C 1 H1* C 1 59.342 37.035 -21.598
6 1H4 C 1 H41 C 1 62.441 34.494 -16.321
7 2H4 C 1 H42 C 1 61.919 33.156 -17.316
8 H5 C 1 H5 C 1 61.933 36.800 -16.855
9 H6 C 1 H6 C 1 60.842 38.281 -18.455
10 H5T C 1 H5* C 1 59.410 42.208 -20.741
11 1H2* C 1 1H2* C 1 58.243 38.359 -19.088
12 2H2* C 1 2H2* C 1 57.364 37.672 -20.448
13 H3* 8MG 2 H3* G 2 59.186 39.149 -25.974
14 1H2* 8MG 2 1H2* G 2 61.400 39.901 -26.215
15 2H2* 8MG 2 2H2* G 2 60.950 41.163 -27.352
16 H1* 8MG 2 H1* G 2 60.909 42.695 -25.680
17 H4* 8MG 2 H4* G 2 58.061 41.837 -26.628
18 1H5* 8MG 2 1H5* G 2 56.289 40.843 -25.748
19 2H5* 8MG 2 2H5* G 2 57.264 39.556 -25.011
20 1HC 8MG 2 1HC CH3 2 62.077 44.021 -22.302
21 2HC 8MG 2 2HC CH3 2 60.606 43.684 -23.245
22 3HC 8MG 2 3HC CH3 2 62.115 44.128 -24.078
23 H1 8MG 2 H1 G 2 62.903 37.205 -21.953
24 1H2 8MG 2 H21 G 2 60.909 36.565 -24.706
25 2H2 8MG 2 H22 G 2 61.846 35.910 -23.377
26 1H5* C 3 1H5* C 3 62.209 38.689 -30.225
27 2H5* C 3 2H5* C 3 60.859 37.562 -30.474
28 H4* C 3 H4* C 3 62.739 36.232 -30.062
29 H3* C 3 H3* C 3 60.615 35.872 -28.444
30 H1* C 3 H1* C 3 64.166 36.042 -27.057
31 1H4 C 3 H41 C 3 65.168 41.731 -23.842
32 2H4 C 3 H42 C 3 65.905 40.454 -22.895
33 H5 C 3 H5 C 3 63.862 41.276 -25.842
34 H6 C 3 H6 C 3 63.007 39.524 -27.305
35 1H2* C 3 1H2* C 3 61.380 37.232 -26.607
36 2H2* C 3 2H2* C 3 61.964 35.644 -26.125
37 1H5* G 4 1H5* G 4 62.490 31.269 -30.584
38 2H5* G 4 2H5* G 4 63.259 32.690 -29.847
39 H4* G 4 H4* G 4 61.560 32.700 -32.343
40 H3* G 4 H3* G 4 64.507 32.414 -32.037
41 H1* G 4 H1* G 4 62.175 35.277 -33.423
42 H8 G 4 H8 G 4 62.838 37.680 -33.815
43 H1 G 4 H1 G 4 66.936 37.596 -28.892
44 1H2 G 4 H21 G 4 66.194 34.218 -28.724
45 2H2 G 4 H22 G 4 67.087 35.562 -28.051
46 1H2* G 4 1H2* G 4 64.969 34.282 -33.359
47 2H2* G 4 2H2* G 4 63.659 33.902 -34.464
48 1H5* DFC 5 1H5* C 5 64.769 30.212 -31.844
49 2H5* DFC 5 2H5* C 5 65.614 28.946 -32.759
50 H4* DFC 5 H4* C 5 66.780 29.471 -30.703
51 H3* DFC 5 H3* C 5 68.061 29.236 -33.117
52 1H2* DFC 5 1H2* C 5 68.495 31.537 -33.530
53 2H2* DFC 5 2H2* C 5 69.887 31.177 -32.519
54 H1* DFC 5 H1* C 5 68.851 32.001 -30.536
55 1H4 DFC 5 H41 C 5 67.183 37.721 -33.443
56 2H4 DFC 5 H42 C 5 68.239 38.079 -32.091
57 H5 DFC 5 H5 C 5 66.540 35.456 -34.027
58 H6 DFC 5 H6 C 5 66.768 33.100 -33.429
59 1H5* DFG 6 1H5* G 6 71.569 28.321 -33.843
60 2H5* DFG 6 2H5* G 6 70.787 29.489 -32.760
61 H4* DFG 6 H4* G 6 73.066 28.334 -31.462
62 H3* DFG 6 H3* G 6 73.785 28.210 -34.014
63 1H2* DFG 6 1H2* G 6 73.189 30.412 -34.716
64 2H2* DFG 6 2H2* G 6 74.870 30.672 -34.274
65 H1* DFG 6 H1* G 6 74.323 31.653 -32.189
66 H8 DFG 6 H8 G 6 71.169 31.365 -34.410
67 H1 DFG 6 H1 G 6 72.416 37.180 -32.008
68 1H2 DFG 6 H21 G 6 75.028 35.601 -30.375
69 2H2 DFG 6 H22 G 6 74.154 37.091 -30.669
70 1H5* C 7 1H5* C 7 78.760 30.080 -32.214
71 2H5* C 7 2H5* C 7 77.510 30.885 -31.244
72 H4* C 7 H4* C 7 79.650 32.026 -32.692
73 H3* C 7 H3* C 7 78.289 32.789 -30.500
74 H1* C 7 H1* C 7 78.052 34.765 -33.734
75 1H4 C 7 H41 C 7 72.292 33.866 -36.813
76 2H4 C 7 H42 C 7 72.348 35.577 -36.450
77 H5 C 7 H5 C 7 73.951 32.301 -36.009
78 H6 C 7 H6 C 7 76.002 32.061 -34.711
79 1H2* C 7 1H2* C 7 76.254 33.447 -31.633
80 2H2* C 7 2H2* C 7 77.110 34.977 -31.498
81 1H5* G 8 1H5* G 8 82.795 36.049 -29.204
82 2H5* G 8 2H5* G 8 81.945 36.558 -30.677
83 H4* G 8 H4* G 8 84.033 34.537 -30.275
84 H3* G 8 H3* G 8 83.190 36.341 -32.523
85 H1* G 8 H1* G 8 83.781 32.456 -32.458
86 H8 G 8 H8 G 8 82.629 30.953 -34.104
87 H1 G 8 H1 G 8 78.877 35.689 -36.234
88 1H2 G 8 H21 G 8 80.525 37.647 -33.916
89 2H2 G 8 H22 G 8 79.292 37.542 -35.157
90 1H2* G 8 1H2* G 8 84.100 34.827 -34.097
91 2H2* G 8 2H2* G 8 85.241 34.158 -32.938
92 1H5* C 9 1H5* C 9 86.733 37.882 -35.231
93 2H5* C 9 2H5* C 9 86.559 39.213 -34.069
94 H4* C 9 H4* C 9 85.589 40.076 -35.958
95 H3* C 9 H3* C 9 83.838 39.753 -33.918
96 H1* C 9 H1* C 9 82.956 38.811 -37.520
97 1H4 C 9 H41 C 9 82.568 32.218 -38.039
98 2H4 C 9 H42 C 9 81.243 32.899 -38.959
99 H5 C 9 H5 C 9 84.081 33.601 -36.725
100 H6 C 9 H6 C 9 84.605 35.882 -36.036
101 1H2* C 9 1H2* C 9 82.837 37.702 -34.670
102 2H2* C 9 2H2* C 9 81.768 38.882 -35.415
103 1H5* G 10 1H5* G 10 84.818 41.860 -34.282
104 2H5* G 10 2H5* G 10 84.781 43.006 -32.926
105 H4* G 10 H4* G 10 84.607 44.865 -34.408
106 H3* G 10 H3* G 10 84.035 42.876 -36.553
107 H1* G 10 H1* G 10 87.535 44.515 -36.500
108 H8 G 10 H8 G 10 88.987 42.279 -35.827
109 H1 G 10 H1 G 10 85.038 38.980 -39.655
110 1H2 G 10 H21 G 10 83.017 41.777 -39.462
111 2H2 G 10 H22 G 10 83.241 40.163 -40.099
112 1H2* G 10 1H2* G 10 85.387 44.061 -38.142
113 2H2* G 10 2H2* G 10 85.467 45.503 -37.141
114 1H5* C 11 1H5* C 11 80.654 33.809 -44.798
115 2H5* C 11 2H5* C 11 80.901 33.516 -43.066
116 H4* C 11 H4* C 11 78.697 35.307 -43.458
117 H3* C 11 H3* C 11 80.315 35.828 -45.549
118 H1* C 11 H1* C 11 80.819 37.694 -42.174
119 1H4 C 11 H41 C 11 86.389 35.202 -39.585
120 2H4 C 11 H42 C 11 86.289 36.876 -39.094
121 H5 C 11 H5 C 11 84.759 34.164 -41.045
122 H6 C 11 H6 C 11 82.711 34.521 -42.319
123 H5T C 11 H5* C 11 78.653 33.045 -42.921
124 1H2* C 11 1H2* C 11 82.354 36.228 -44.365
125 2H2* C 11 2H2* C 11 81.692 37.856 -44.390
126 H3* 8MG 12 H3* G 12 76.187 38.877 -42.603
127 1H2* 8MG 12 1H2* G 12 75.318 37.358 -41.034
128 2H2* 8MG 12 2H2* G 12 73.719 37.372 -41.762
129 H1* 8MG 12 H1* G 12 74.191 35.490 -42.941
130 H4* 8MG 12 H4* G 12 74.226 38.005 -44.688
131 1H5* 8MG 12 1H5* G 12 75.657 39.058 -45.991
132 2H5* 8MG 12 2H5* G 12 76.850 39.193 -44.683
133 1HC 8MG 12 1HC CH3 12 76.042 32.186 -43.414
134 2HC 8MG 12 2HC CH3 12 75.636 33.709 -44.239
135 3HC 8MG 12 3HC CH3 12 74.528 33.033 -43.021
136 H1 8MG 12 H1 G 12 80.019 35.929 -39.224
137 1H2 8MG 12 H21 G 12 78.406 38.904 -39.930
138 2H2 8MG 12 H22 G 12 79.720 38.096 -39.098
139 1H5* C 13 1H5* C 13 72.464 39.948 -38.997
140 2H5* C 13 2H5* C 13 73.151 41.515 -39.475
141 H4* C 13 H4* C 13 73.821 41.104 -37.253
142 H3* C 13 H3* C 13 75.736 41.664 -39.083
143 H1* C 13 H1* C 13 76.147 38.938 -36.462
144 1H4 C 13 H41 C 13 75.938 32.922 -39.203
145 2H4 C 13 H42 C 13 77.242 32.923 -38.033
146 H5 C 13 H5 C 13 74.671 34.933 -39.737
147 H6 C 13 H6 C 13 74.427 37.315 -39.274
148 1H2* C 13 1H2* C 13 76.459 39.400 -39.474
149 2H2* C 13 2H2* C 13 77.560 39.892 -38.195
150 1H5* G 14 1H5* G 14 74.909 43.613 -38.311
151 2H5* G 14 2H5* G 14 75.083 45.368 -38.104
152 H4* G 14 H4* G 14 73.517 45.408 -36.559
153 H3* G 14 H3* G 14 75.285 43.525 -35.115
154 H1* G 14 H1* G 14 71.387 43.680 -35.739
155 H8 G 14 H8 G 14 69.990 41.981 -37.182
156 H1 G 14 H1 G 14 73.430 37.141 -34.781
157 1H2 G 14 H21 G 14 75.489 39.637 -33.530
158 2H2 G 14 H22 G 14 75.192 37.920 -33.684
159 1H2* G 14 1H2* G 14 73.544 42.268 -34.217
160 2H2* G 14 2H2* G 14 72.646 43.726 -33.823
161 1H5* DFC 15 1H5* C 15 73.802 45.773 -30.262
162 2H5* DFC 15 2H5* C 15 72.559 44.505 -30.307
163 H4* DFC 15 H4* C 15 75.533 44.273 -30.074
164 H3* DFC 15 H3* C 15 73.734 44.076 -28.104
165 1H2* DFC 15 1H2* C 15 72.379 42.297 -28.907
166 2H2* DFC 15 2H2* C 15 73.598 41.349 -28.066
167 H1* DFC 15 H1* C 15 74.730 40.759 -30.030
168 1H4 DFC 15 H41 C 15 69.374 39.731 -33.797
169 2H4 DFC 15 H42 C 15 70.070 38.167 -33.433
170 H5 DFC 15 H5 C 15 70.276 41.800 -32.925
171 H6 DFC 15 H6 C 15 72.022 42.786 -31.542
172 1H5* DFG 16 1H5* G 16 73.697 42.908 -24.589
173 2H5* DFG 16 2H5* G 16 73.749 42.636 -26.342
174 H4* DFG 16 H4* G 16 75.552 40.851 -24.992
175 H3* DFG 16 H3* G 16 73.619 41.188 -23.184
176 1H2* DFG 16 1H2* G 16 71.734 40.852 -24.657
177 2H2* DFG 16 2H2* G 16 71.937 39.246 -23.969
178 H1* DFG 16 H1* G 16 73.198 38.457 -25.862
179 H8 DFG 16 H8 G 16 71.426 41.713 -27.037
180 H1 DFG 16 H1 G 16 69.762 36.292 -30.024
181 1H2 DFG 16 H21 G 16 71.980 34.776 -27.839
182 2H2 DFG 16 H22 G 16 70.843 34.588 -29.158
183 1H5* C 17 1H5* C 17 70.996 39.073 -21.400
184 2H5* C 17 2H5* C 17 71.845 37.767 -20.547
185 H4* C 17 H4* C 17 69.906 36.710 -20.996
186 H3* C 17 H3* C 17 71.883 35.740 -22.627
187 H1* C 17 H1* C 17 68.313 36.362 -23.700
188 1H4 C 17 H41 C 17 67.774 41.366 -27.975
189 2H4 C 17 H42 C 17 66.966 40.008 -28.727
190 H5 C 17 H5 C 17 69.001 41.175 -25.895
191 H6 C 17 H6 C 17 69.722 39.646 -24.139
192 1H2* C 17 1H2* C 17 71.188 36.885 -24.627
193 2H2* C 17 2H2* C 17 70.280 35.387 -24.771
194 1H5* G 18 1H5* G 18 71.738 33.910 -20.765
195 2H5* G 18 2H5* G 18 72.216 32.276 -20.263
196 H4* G 18 H4* G 18 70.678 32.250 -18.691
197 H3* G 18 H3* G 18 68.693 32.825 -20.874
198 H1* G 18 H1* G 18 68.955 34.652 -17.435
199 H8 G 18 H8 G 18 69.038 37.231 -17.717
200 H1 G 18 H1 G 18 65.775 36.787 -23.208
201 1H2 G 18 H21 G 18 66.397 33.395 -22.963
202 2H2 G 18 H22 G 18 65.680 34.705 -23.880
203 1H2* G 18 1H2* G 18 67.097 33.473 -19.231
204 2H2* G 18 2H2* G 18 67.938 32.634 -17.938
205 1H5* C 19 1H5* C 19 65.187 30.152 -18.747
206 2H5* C 19 2H5* C 19 65.535 29.006 -20.058
207 H4* C 19 H4* C 19 63.294 29.571 -20.335
208 H3* C 19 H3* C 19 64.890 30.060 -22.434
209 H1* C 19 H1* C 19 62.382 32.716 -21.272
210 1H4 C 19 H41 C 19 65.475 37.609 -18.087
211 2H4 C 19 H42 C 19 64.480 38.361 -19.317
212 H5 C 19 H5 C 19 65.731 35.193 -17.925
213 H6 C 19 H6 C 19 65.100 33.052 -18.910
214 1H2* C 19 1H2* C 19 65.344 32.381 -21.962
215 2H2* C 19 2H2* C 19 63.986 32.510 -23.071
216 1H5* G 20 1H5* G 20 63.399 28.143 -22.456
217 2H5* G 20 2H5* G 20 63.770 26.810 -23.569
218 H4* G 20 H4* G 20 61.498 26.300 -23.885
219 H3* G 20 H3* G 20 60.880 28.999 -22.767
220 H1* G 20 H1* G 20 60.107 25.907 -20.600
221 H8 G 20 H8 G 20 61.941 26.360 -18.615
222 H1 G 20 H1 G 20 60.553 32.593 -19.186
223 1H2 G 20 H21 G 20 59.124 31.686 -22.200
224 2H2 G 20 H22 G 20 59.507 32.977 -21.082
225 1H2* G 20 1H2* G 20 58.934 28.159 -21.638
226 2H2* G 20 2H2* G 20 58.947 26.650 -22.540
Start of MODEL 3
1 1H5* C 1 1H5* C 1 61.881 41.522 -19.428
2 2H5* C 1 2H5* C 1 60.820 40.589 -18.356
3 H4* C 1 H4* C 1 61.183 40.461 -21.245
4 H3* C 1 H3* C 1 58.974 40.708 -19.757
5 H1* C 1 H1* C 1 59.879 37.237 -21.224
6 1H4 C 1 H41 C 1 62.001 33.580 -16.117
7 2H4 C 1 H42 C 1 61.540 32.488 -17.401
8 H5 C 1 H5 C 1 61.802 35.989 -16.305
9 H6 C 1 H6 C 1 61.140 37.825 -17.768
10 H5T C 1 H5* C 1 62.907 39.148 -19.439
11 1H2* C 1 1H2* C 1 59.069 38.596 -18.614
12 2H2* C 1 2H2* C 1 58.056 38.182 -19.990
13 H3* 8MG 2 H3* G 2 59.840 39.556 -25.379
14 1H2* 8MG 2 1H2* G 2 62.127 39.899 -25.848
15 2H2* 8MG 2 2H2* G 2 61.805 41.218 -26.963
16 H1* 8MG 2 H1* G 2 62.178 42.722 -25.301
17 H4* 8MG 2 H4* G 2 59.195 42.384 -26.132
18 1H5* 8MG 2 1H5* G 2 57.324 41.996 -25.048
19 2H5* 8MG 2 2H5* G 2 57.893 40.370 -24.615
20 1HC 8MG 2 1HC CH3 2 63.584 43.924 -23.731
21 2HC 8MG 2 2HC CH3 2 63.655 43.830 -21.955
22 3HC 8MG 2 3HC CH3 2 62.084 43.744 -22.788
23 H1 8MG 2 H1 G 2 63.455 36.932 -21.738
24 1H2 8MG 2 H21 G 2 61.350 36.642 -24.460
25 2H2 8MG 2 H22 G 2 62.227 35.835 -23.175
26 1H5* C 3 1H5* C 3 62.240 38.661 -30.112
27 2H5* C 3 2H5* C 3 60.774 37.660 -30.077
28 H4* C 3 H4* C 3 62.677 36.233 -30.013
29 H3* C 3 H3* C 3 60.697 35.907 -28.202
30 H1* C 3 H1* C 3 64.381 35.776 -27.216
31 1H4 C 3 H41 C 3 66.080 41.131 -23.724
32 2H4 C 3 H42 C 3 66.743 39.736 -22.899
33 H5 C 3 H5 C 3 64.624 40.915 -25.668
34 H6 C 3 H6 C 3 63.522 39.334 -27.165
35 1H2* C 3 1H2* C 3 61.739 37.078 -26.376
36 2H2* C 3 2H2* C 3 62.273 35.431 -26.069
37 1H5* G 4 1H5* G 4 60.072 34.594 -30.060
38 2H5* G 4 2H5* G 4 59.217 33.236 -30.821
39 H4* G 4 H4* G 4 60.569 33.345 -32.543
40 H3* G 4 H3* G 4 62.543 32.437 -30.560
41 H1* G 4 H1* G 4 62.587 34.932 -33.574
42 H8 G 4 H8 G 4 62.769 37.542 -33.655
43 H1 G 4 H1 G 4 67.154 37.394 -28.985
44 1H2 G 4 H21 G 4 66.221 34.077 -28.637
45 2H2 G 4 H22 G 4 67.232 35.386 -28.063
46 1H2* G 4 1H2* G 4 64.274 33.774 -31.349
47 2H2* G 4 2H2* G 4 63.983 33.174 -32.975
48 1H5* DFC 5 1H5* C 5 65.075 29.001 -33.920
49 2H5* DFC 5 2H5* C 5 66.048 30.381 -34.467
50 H4* DFC 5 H4* C 5 66.032 28.943 -31.866
51 H3* DFC 5 H3* C 5 67.922 28.949 -33.768
52 1H2* DFC 5 1H2* C 5 68.488 31.251 -33.838
53 2H2* DFC 5 2H2* C 5 69.579 30.743 -32.557
54 H1* DFC 5 H1* C 5 68.228 31.598 -30.845
55 1H4 DFC 5 H41 C 5 66.481 37.204 -33.924
56 2H4 DFC 5 H42 C 5 67.625 37.610 -32.664
57 H5 DFC 5 H5 C 5 65.816 34.908 -34.382
58 H6 DFC 5 H6 C 5 66.140 32.574 -33.743
59 1H5* DFG 6 1H5* G 6 70.416 30.524 -30.732
60 2H5* DFG 6 2H5* G 6 70.875 29.032 -29.888
61 H4* DFG 6 H4* G 6 72.929 29.782 -29.686
62 H3* DFG 6 H3* G 6 73.165 28.823 -32.178
63 1H2* DFG 6 1H2* G 6 72.561 30.759 -33.429
64 2H2* DFG 6 2H2* G 6 74.292 31.032 -33.289
65 H1* DFG 6 H1* G 6 74.060 32.592 -31.530
66 H8 DFG 6 H8 G 6 70.789 31.910 -33.453
67 H1 DFG 6 H1 G 6 72.174 38.080 -32.378
68 1H2 DFG 6 H21 G 6 74.831 36.847 -30.538
69 2H2 DFG 6 H22 G 6 73.961 38.251 -31.125
70 1H5* C 7 1H5* C 7 78.211 30.569 -33.795
71 2H5* C 7 2H5* C 7 78.692 30.355 -32.099
72 H4* C 7 H4* C 7 79.594 32.400 -32.838
73 H3* C 7 H3* C 7 77.903 32.400 -30.635
74 H1* C 7 H1* C 7 77.933 35.133 -33.447
75 1H4 C 7 H41 C 7 72.021 34.532 -36.347
76 2H4 C 7 H42 C 7 72.252 36.243 -36.088
77 H5 C 7 H5 C 7 73.559 32.855 -35.534
78 H6 C 7 H6 C 7 75.639 32.478 -34.321
79 1H2* C 7 1H2* C 7 76.119 33.681 -31.487
80 2H2* C 7 2H2* C 7 77.215 35.028 -31.210
81 1H5* G 8 1H5* G 8 80.683 37.347 -30.411
82 2H5* G 8 2H5* G 8 80.189 35.981 -31.432
83 H4* G 8 H4* G 8 82.584 36.016 -29.597
84 H3* G 8 H3* G 8 82.364 36.925 -32.393
85 H1* G 8 H1* G 8 83.613 33.250 -31.725
86 H8 G 8 H8 G 8 82.641 31.659 -33.392
87 H1 G 8 H1 G 8 78.768 36.124 -35.854
88 1H2 G 8 H21 G 8 80.187 38.236 -33.510
89 2H2 G 8 H22 G 8 79.039 38.036 -34.820
90 1H2* G 8 1H2* G 8 84.088 35.519 -33.227
91 2H2* G 8 2H2* G 8 84.787 35.265 -31.635
92 1H5* C 9 1H5* C 9 86.259 38.784 -34.169
93 2H5* C 9 2H5* C 9 85.706 40.192 -33.239
94 H4* C 9 H4* C 9 85.408 40.757 -35.489
95 H3* C 9 H3* C 9 83.227 40.877 -33.903
96 H1* C 9 H1* C 9 83.062 39.306 -37.395
97 1H4 C 9 H41 C 9 82.508 32.737 -36.904
98 2H4 C 9 H42 C 9 81.245 33.267 -37.996
99 H5 C 9 H5 C 9 83.932 34.301 -35.705
100 H6 C 9 H6 C 9 84.415 36.661 -35.316
101 1H2* C 9 1H2* C 9 82.269 38.753 -34.493
102 2H2* C 9 2H2* C 9 81.471 39.811 -35.648
103 1H5* G 10 1H5* G 10 83.679 44.314 -38.187
104 2H5* G 10 2H5* G 10 84.036 42.746 -37.430
105 H4* G 10 H4* G 10 85.461 45.318 -36.759
106 H3* G 10 H3* G 10 86.107 43.332 -38.906
107 H1* G 10 H1* G 10 88.057 43.484 -35.539
108 H8 G 10 H8 G 10 89.152 41.266 -35.077
109 H1 G 10 H1 G 10 85.429 38.239 -39.326
110 1H2 G 10 H21 G 10 84.111 41.381 -39.943
111 2H2 G 10 H22 G 10 84.074 39.670 -40.312
112 1H2* G 10 1H2* G 10 88.426 43.400 -38.310
113 2H2* G 10 2H2* G 10 88.245 44.891 -37.396
114 1H5* C 11 1H5* C 11 80.178 32.966 -41.718
115 2H5* C 11 2H5* C 11 79.431 32.845 -43.321
116 H4* C 11 H4* C 11 78.991 35.016 -42.779
117 H3* C 11 H3* C 11 80.607 34.843 -44.888
118 H1* C 11 H1* C 11 81.654 37.199 -41.966
119 1H4 C 11 H41 C 11 86.460 33.993 -38.718
120 2H4 C 11 H42 C 11 86.661 35.707 -38.422
121 H5 C 11 H5 C 11 84.721 33.111 -40.162
122 H6 C 11 H6 C 11 82.831 33.693 -41.590
123 H5T C 11 H5* C 11 81.328 32.581 -44.192
124 1H2* C 11 1H2* C 11 82.721 34.972 -43.751
125 2H2* C 11 2H2* C 11 82.457 36.664 -44.148
126 H3* 8MG 12 H3* G 12 76.578 38.352 -42.749
127 1H2* 8MG 12 1H2* G 12 75.409 37.235 -41.025
128 2H2* 8MG 12 2H2* G 12 73.894 37.238 -41.914
129 H1* 8MG 12 H1* G 12 74.321 35.126 -42.633
130 H4* 8MG 12 H4* G 12 74.618 37.394 -44.799
131 1H5* 8MG 12 1H5* G 12 76.212 37.752 -46.280
132 2H5* 8MG 12 2H5* G 12 77.139 38.519 -44.974
133 1HC 8MG 12 1HC CH3 12 76.041 31.718 -42.447
134 2HC 8MG 12 2HC CH3 12 75.789 33.064 -43.582
135 3HC 8MG 12 3HC CH3 12 74.578 32.724 -42.324
136 H1 8MG 12 H1 G 12 80.037 36.035 -38.844
137 1H2 8MG 12 H21 G 12 78.527 38.888 -40.099
138 2H2 8MG 12 H22 G 12 79.795 38.206 -39.096
139 1H5* C 13 1H5* C 13 72.683 40.107 -39.618
140 2H5* C 13 2H5* C 13 73.412 41.583 -40.283
141 H4* C 13 H4* C 13 73.899 41.554 -37.979
142 H3* C 13 H3* C 13 75.951 41.786 -39.732
143 H1* C 13 H1* C 13 76.138 39.521 -36.660
144 1H4 C 13 H41 C 13 76.006 33.168 -38.494
145 2H4 C 13 H42 C 13 77.249 33.326 -37.269
146 H5 C 13 H5 C 13 74.805 35.083 -39.385
147 H6 C 13 H6 C 13 74.571 37.508 -39.293
148 1H2* C 13 1H2* C 13 76.697 39.504 -39.670
149 2H2* C 13 2H2* C 13 77.683 40.204 -38.395
150 1H5* G 14 1H5* G 14 75.956 45.525 -35.695
151 2H5* G 14 2H5* G 14 75.806 43.757 -35.771
152 H4* G 14 H4* G 14 73.883 45.744 -36.981
153 H3* G 14 H3* G 14 73.900 44.544 -34.278
154 H1* G 14 H1* G 14 71.639 44.215 -37.462
155 H8 G 14 H8 G 14 70.084 42.438 -38.299
156 H1 G 14 H1 G 14 73.214 37.804 -35.173
157 1H2 G 14 H21 G 14 75.181 40.369 -33.943
158 2H2 G 14 H22 G 14 74.867 38.650 -33.992
159 1H2* G 14 1H2* G 14 71.942 43.335 -34.600
160 2H2* G 14 2H2* G 14 71.154 44.756 -35.267
161 1H5* DFC 15 1H5* C 15 73.929 46.666 -30.376
162 2H5* DFC 15 2H5* C 15 72.432 45.865 -30.901
163 H4* DFC 15 H4* C 15 75.241 44.789 -31.144
164 H3* DFC 15 H3* C 15 73.632 44.670 -28.870
165 1H2* DFC 15 1H2* C 15 72.057 43.085 -29.669
166 2H2* DFC 15 2H2* C 15 73.326 41.964 -29.193
167 H1* DFC 15 H1* C 15 74.265 41.879 -31.410
168 1H4 DFC 15 H41 C 15 68.524 40.258 -34.283
169 2H4 DFC 15 H42 C 15 69.334 38.760 -33.879
170 H5 DFC 15 H5 C 15 69.410 42.434 -33.656
171 H6 DFC 15 H6 C 15 71.225 43.586 -32.501
172 1H5* DFG 16 1H5* G 16 75.177 40.834 -28.418
173 2H5* DFG 16 2H5* G 16 76.591 40.925 -27.348
174 H4* DFG 16 H4* G 16 75.731 39.353 -26.076
175 H3* DFG 16 H3* G 16 74.348 41.411 -25.028
176 1H2* DFG 16 1H2* G 16 72.447 41.302 -26.503
177 2H2* DFG 16 2H2* G 16 71.892 40.325 -25.151
178 H1* DFG 16 H1* G 16 72.529 38.256 -26.223
179 H8 DFG 16 H8 G 16 71.538 41.292 -28.320
180 H1 DFG 16 H1 G 16 69.493 35.647 -30.550
181 1H2 DFG 16 H21 G 16 71.493 34.294 -28.072
182 2H2 DFG 16 H22 G 16 70.385 34.002 -29.398
183 1H5* C 17 1H5* C 17 71.742 38.094 -21.109
184 2H5* C 17 2H5* C 17 72.887 36.955 -21.846
185 H4* C 17 H4* C 17 70.483 36.195 -21.353
186 H3* C 17 H3* C 17 72.287 35.177 -23.130
187 H1* C 17 H1* C 17 68.645 35.892 -23.997
188 1H4 C 17 H41 C 17 68.118 41.017 -28.127
189 2H4 C 17 H42 C 17 67.289 39.690 -28.908
190 H5 C 17 H5 C 17 69.382 40.737 -26.076
191 H6 C 17 H6 C 17 70.076 39.147 -24.362
192 1H2* C 17 1H2* C 17 71.476 36.309 -25.085
193 2H2* C 17 2H2* C 17 70.505 34.843 -25.138
194 1H5* G 18 1H5* G 18 71.110 29.916 -21.517
195 2H5* G 18 2H5* G 18 69.646 30.611 -22.240
196 H4* G 18 H4* G 18 70.582 30.670 -19.515
197 H3* G 18 H3* G 18 67.987 31.272 -20.898
198 H1* G 18 H1* G 18 69.966 33.333 -18.192
199 H8 G 18 H8 G 18 69.818 35.835 -18.087
200 H1 G 18 H1 G 18 66.189 36.130 -23.357
201 1H2 G 18 H21 G 18 66.549 32.691 -23.434
202 2H2 G 18 H22 G 18 65.878 34.124 -24.190
203 1H2* G 18 1H2* G 18 67.299 32.617 -19.079
204 2H2* G 18 2H2* G 18 68.321 31.759 -17.935
205 1H5* C 19 1H5* C 19 64.146 29.638 -18.464
206 2H5* C 19 2H5* C 19 64.467 28.378 -19.673
207 H4* C 19 H4* C 19 62.621 29.496 -20.501
208 H3* C 19 H3* C 19 64.811 29.576 -22.094
209 H1* C 19 H1* C 19 62.644 32.698 -21.468
210 1H4 C 19 H41 C 19 66.159 36.899 -17.740
211 2H4 C 19 H42 C 19 65.390 37.842 -19.000
212 H5 C 19 H5 C 19 65.991 34.474 -17.643
213 H6 C 19 H6 C 19 65.066 32.495 -18.732
214 1H2* C 19 1H2* C 19 65.560 31.784 -21.546
215 2H2* C 19 2H2* C 19 64.494 32.141 -22.899
216 1H5* G 20 1H5* G 20 59.880 30.276 -24.806
217 2H5* G 20 2H5* G 20 60.840 30.236 -23.312
218 H4* G 20 H4* G 20 60.083 27.789 -24.901
219 H3* G 20 H3* G 20 58.508 29.183 -22.778
220 H1* G 20 H1* G 20 60.571 25.998 -21.930
221 H8 G 20 H8 G 20 60.817 26.014 -19.394
222 H1 G 20 H1 G 20 60.382 32.413 -19.223
223 1H2 G 20 H21 G 20 59.652 32.135 -22.584
224 2H2 G 20 H22 G 20 59.887 33.193 -21.212
225 1H2* G 20 1H2* G 20 58.040 27.107 -21.675
226 2H2* G 20 2H2* G 20 58.518 26.150 -23.069
Start of MODEL 4
1 1H5* C 1 1H5* C 1 61.279 41.773 -19.733
2 2H5* C 1 2H5* C 1 60.115 40.866 -18.750
3 H4* C 1 H4* C 1 60.567 40.809 -21.578
4 H3* C 1 H3* C 1 58.331 40.697 -20.125
5 H1* C 1 H1* C 1 59.704 37.341 -21.636
6 1H4 C 1 H41 C 1 62.368 34.259 -16.405
7 2H4 C 1 H42 C 1 61.896 33.033 -17.560
8 H5 C 1 H5 C 1 61.974 36.622 -16.768
9 H6 C 1 H6 C 1 61.062 38.277 -18.310
10 H5T C 1 H5* C 1 62.308 39.433 -19.665
11 1H2* C 1 1H2* C 1 58.632 38.571 -19.073
12 2H2* C 1 2H2* C 1 57.754 38.077 -20.515
13 H3* 8MG 2 H3* G 2 59.502 39.555 -25.852
14 1H2* 8MG 2 1H2* G 2 61.813 39.771 -25.669
15 2H2* 8MG 2 2H2* G 2 61.864 41.003 -26.920
16 H1* 8MG 2 H1* G 2 61.840 42.713 -25.434
17 H4* 8MG 2 H4* G 2 59.057 42.452 -26.341
18 1H5* 8MG 2 1H5* G 2 57.074 41.861 -25.573
19 2H5* 8MG 2 2H5* G 2 57.688 40.317 -24.945
20 1HC 8MG 2 1HC CH3 2 62.985 44.182 -23.793
21 2HC 8MG 2 2HC CH3 2 62.896 44.125 -22.017
22 3HC 8MG 2 3HC CH3 2 61.444 43.795 -22.993
23 H1 8MG 2 H1 G 2 63.631 37.295 -21.533
24 1H2 8MG 2 H21 G 2 61.715 36.638 -24.339
25 2H2 8MG 2 H22 G 2 62.604 35.991 -22.977
26 1H5* C 3 1H5* C 3 62.408 38.654 -30.350
27 2H5* C 3 2H5* C 3 60.860 37.786 -30.414
28 H4* C 3 H4* C 3 62.551 36.179 -30.067
29 H3* C 3 H3* C 3 60.464 36.229 -28.355
30 H1* C 3 H1* C 3 64.082 35.893 -27.072
31 1H4 C 3 H41 C 3 65.780 41.591 -24.166
32 2H4 C 3 H42 C 3 66.466 40.287 -23.218
33 H5 C 3 H5 C 3 64.337 41.186 -26.078
34 H6 C 3 H6 C 3 63.262 39.467 -27.432
35 1H2* C 3 1H2* C 3 61.500 37.449 -26.570
36 2H2* C 3 2H2* C 3 61.887 35.800 -26.097
37 1H5* G 4 1H5* G 4 59.093 33.351 -31.791
38 2H5* G 4 2H5* G 4 59.999 32.154 -30.844
39 H4* G 4 H4* G 4 60.892 32.927 -33.137
40 H3* G 4 H3* G 4 62.503 32.444 -30.678
41 H1* G 4 H1* G 4 62.809 34.693 -33.874
42 H8 G 4 H8 G 4 62.711 37.361 -33.825
43 H1 G 4 H1 G 4 66.844 37.283 -28.928
44 1H2 G 4 H21 G 4 66.091 33.908 -28.745
45 2H2 G 4 H22 G 4 66.992 35.248 -28.075
46 1H2* G 4 1H2* G 4 64.318 33.656 -31.495
47 2H2* G 4 2H2* G 4 64.121 32.962 -33.098
48 1H5* DFC 5 1H5* C 5 65.684 29.198 -33.782
49 2H5* DFC 5 2H5* C 5 66.524 30.687 -34.261
50 H4* DFC 5 H4* C 5 66.660 29.131 -31.721
51 H3* DFC 5 H3* C 5 68.467 29.254 -33.701
52 1H2* DFC 5 1H2* C 5 68.994 31.567 -33.699
53 2H2* DFC 5 2H2* C 5 70.126 31.043 -32.461
54 H1* DFC 5 H1* C 5 68.806 31.808 -30.691
55 1H4 DFC 5 H41 C 5 66.813 37.458 -33.526
56 2H4 DFC 5 H42 C 5 67.964 37.870 -32.273
57 H5 DFC 5 H5 C 5 66.227 35.167 -34.061
58 H6 DFC 5 H6 C 5 66.628 32.826 -33.506
59 1H5* DFG 6 1H5* G 6 71.863 28.197 -34.166
60 2H5* DFG 6 2H5* G 6 70.919 29.339 -33.190
61 H4* DFG 6 H4* G 6 73.065 28.275 -31.625
62 H3* DFG 6 H3* G 6 74.020 28.223 -34.144
63 1H2* DFG 6 1H2* G 6 73.776 30.454 -34.829
64 2H2* DFG 6 2H2* G 6 75.281 30.669 -33.946
65 H1* DFG 6 H1* G 6 74.262 31.652 -32.112
66 H8 DFG 6 H8 G 6 71.434 31.202 -34.736
67 H1 DFG 6 H1 G 6 72.349 37.136 -32.483
68 1H2 DFG 6 H21 G 6 74.815 35.685 -30.544
69 2H2 DFG 6 H22 G 6 73.957 37.143 -30.995
70 1H5* C 7 1H5* C 7 78.046 30.479 -33.713
71 2H5* C 7 2H5* C 7 78.472 30.319 -31.997
72 H4* C 7 H4* C 7 79.404 32.344 -32.626
73 H3* C 7 H3* C 7 77.556 32.498 -30.654
74 H1* C 7 H1* C 7 77.606 34.996 -33.562
75 1H4 C 7 H41 C 7 72.457 33.827 -37.548
76 2H4 C 7 H42 C 7 72.343 35.517 -37.107
77 H5 C 7 H5 C 7 74.110 32.332 -36.596
78 H6 C 7 H6 C 7 75.981 32.159 -35.041
79 1H2* C 7 1H2* C 7 75.692 33.186 -32.004
80 2H2* C 7 2H2* C 7 76.341 34.745 -31.516
81 1H5* G 8 1H5* G 8 81.848 35.929 -29.155
82 2H5* G 8 2H5* G 8 80.907 35.934 -30.662
83 H4* G 8 H4* G 8 83.510 34.653 -30.018
84 H3* G 8 H3* G 8 82.430 36.277 -32.288
85 H1* G 8 H1* G 8 83.691 32.566 -32.558
86 H8 G 8 H8 G 8 82.175 31.015 -33.876
87 H1 G 8 H1 G 8 78.952 35.952 -36.374
88 1H2 G 8 H21 G 8 80.789 37.890 -34.185
89 2H2 G 8 H22 G 8 79.563 37.830 -35.431
90 1H2* G 8 1H2* G 8 83.775 35.089 -33.851
91 2H2* G 8 2H2* G 8 84.893 34.534 -32.614
92 1H5* C 9 1H5* C 9 86.471 38.220 -34.463
93 2H5* C 9 2H5* C 9 85.978 39.529 -33.368
94 H4* C 9 H4* C 9 85.544 40.320 -35.520
95 H3* C 9 H3* C 9 83.457 40.264 -33.822
96 H1* C 9 H1* C 9 83.085 39.018 -37.426
97 1H4 C 9 H41 C 9 82.661 32.416 -37.509
98 2H4 C 9 H42 C 9 81.341 33.024 -38.488
99 H5 C 9 H5 C 9 84.127 33.895 -36.245
100 H6 C 9 H6 C 9 84.601 36.219 -35.676
101 1H2* C 9 1H2* C 9 82.510 38.171 -34.543
102 2H2* C 9 2H2* C 9 81.610 39.311 -35.534
103 1H5* G 10 1H5* G 10 84.493 42.318 -34.149
104 2H5* G 10 2H5* G 10 84.205 43.576 -32.929
105 H4* G 10 H4* G 10 84.432 45.306 -34.498
106 H3* G 10 H3* G 10 84.005 43.253 -36.623
107 H1* G 10 H1* G 10 87.541 44.725 -36.191
108 H8 G 10 H8 G 10 88.877 42.494 -35.440
109 H1 G 10 H1 G 10 85.040 39.157 -39.343
110 1H2 G 10 H21 G 10 83.059 41.994 -39.316
111 2H2 G 10 H22 G 10 83.278 40.356 -39.896
112 1H2* G 10 1H2* G 10 85.584 44.333 -38.075
113 2H2* G 10 2H2* G 10 85.620 45.795 -37.100
114 1H5* C 11 1H5* C 11 80.246 34.529 -45.196
115 2H5* C 11 2H5* C 11 81.346 34.154 -43.857
116 H4* C 11 H4* C 11 78.720 35.385 -43.215
117 H3* C 11 H3* C 11 79.980 36.737 -45.163
118 H1* C 11 H1* C 11 80.612 37.588 -41.491
119 1H4 C 11 H41 C 11 86.537 35.390 -39.560
120 2H4 C 11 H42 C 11 86.456 37.066 -39.070
121 H5 C 11 H5 C 11 84.812 34.326 -40.893
122 H6 C 11 H6 C 11 82.666 34.654 -42.003
123 H5T C 11 H5* C 11 79.217 33.251 -42.919
124 1H2* C 11 1H2* C 11 82.126 36.934 -44.070
125 2H2* C 11 2H2* C 11 81.363 38.454 -43.627
126 H3* 8MG 12 H3* G 12 76.483 38.486 -42.875
127 1H2* 8MG 12 1H2* G 12 75.438 37.209 -41.187
128 2H2* 8MG 12 2H2* G 12 73.900 37.162 -42.036
129 H1* 8MG 12 H1* G 12 74.418 35.124 -42.867
130 H4* 8MG 12 H4* G 12 74.556 37.514 -44.946
131 1H5* 8MG 12 1H5* G 12 77.361 37.039 -45.515
132 2H5* 8MG 12 2H5* G 12 76.133 37.927 -46.441
133 1HC 8MG 12 1HC CH3 12 76.458 31.867 -43.079
134 2HC 8MG 12 2HC CH3 12 76.228 33.308 -44.099
135 3HC 8MG 12 3HC CH3 12 74.935 32.784 -42.993
136 H1 8MG 12 H1 G 12 80.037 36.110 -38.985
137 1H2 8MG 12 H21 G 12 78.295 38.936 -39.956
138 2H2 8MG 12 H22 G 12 79.611 38.264 -39.015
139 1H5* C 13 1H5* C 13 72.526 40.018 -39.673
140 2H5* C 13 2H5* C 13 73.279 41.524 -40.235
141 H4* C 13 H4* C 13 73.678 41.337 -37.908
142 H3* C 13 H3* C 13 75.776 41.784 -39.546
143 H1* C 13 H1* C 13 75.967 39.228 -36.719
144 1H4 C 13 H41 C 13 75.876 33.061 -39.094
145 2H4 C 13 H42 C 13 77.149 33.131 -37.892
146 H5 C 13 H5 C 13 74.638 35.032 -39.789
147 H6 C 13 H6 C 13 74.396 37.440 -39.495
148 1H2* C 13 1H2* C 13 76.531 39.501 -39.716
149 2H2* C 13 2H2* C 13 77.511 40.092 -38.380
150 1H5* G 14 1H5* G 14 74.603 43.762 -38.491
151 2H5* G 14 2H5* G 14 74.690 45.525 -38.297
152 H4* G 14 H4* G 14 73.570 45.514 -36.355
153 H3* G 14 H3* G 14 75.039 43.006 -35.636
154 H1* G 14 H1* G 14 71.144 43.649 -35.731
155 H8 G 14 H8 G 14 70.060 42.072 -37.696
156 H1 G 14 H1 G 14 73.443 37.231 -35.217
157 1H2 G 14 H21 G 14 75.223 39.728 -33.579
158 2H2 G 14 H22 G 14 75.036 38.013 -33.879
159 1H2* G 14 1H2* G 14 73.232 42.246 -34.315
160 2H2* G 14 2H2* G 14 72.640 43.874 -34.019
161 1H5* DFC 15 1H5* C 15 74.815 45.559 -30.762
162 2H5* DFC 15 2H5* C 15 74.072 44.664 -32.105
163 H4* DFC 15 H4* C 15 76.226 43.346 -30.536
164 H3* DFC 15 H3* C 15 74.095 44.355 -29.048
165 1H2* DFC 15 1H2* C 15 72.404 42.892 -29.835
166 2H2* DFC 15 2H2* C 15 73.142 41.804 -28.667
167 H1* DFC 15 H1* C 15 74.521 40.740 -30.306
168 1H4 DFC 15 H41 C 15 69.372 39.540 -34.309
169 2H4 DFC 15 H42 C 15 70.123 38.010 -33.909
170 H5 DFC 15 H5 C 15 70.187 41.655 -33.446
171 H6 DFC 15 H6 C 15 71.872 42.715 -32.035
172 1H5* DFG 16 1H5* G 16 73.356 43.244 -25.198
173 2H5* DFG 16 2H5* G 16 73.580 42.711 -26.877
174 H4* DFG 16 H4* G 16 75.080 41.050 -25.061
175 H3* DFG 16 H3* G 16 72.962 41.766 -23.608
176 1H2* DFG 16 1H2* G 16 71.273 41.350 -25.280
177 2H2* DFG 16 2H2* G 16 71.232 39.862 -24.346
178 H1* DFG 16 H1* G 16 72.666 38.699 -25.906
179 H8 DFG 16 H8 G 16 71.218 41.847 -27.669
180 H1 DFG 16 H1 G 16 69.747 36.173 -30.269
181 1H2 DFG 16 H21 G 16 71.705 34.855 -27.740
182 2H2 DFG 16 H22 G 16 70.705 34.551 -29.145
183 1H5* C 17 1H5* C 17 72.346 36.742 -21.365
184 2H5* C 17 2H5* C 17 72.670 36.157 -23.009
185 H4* C 17 H4* C 17 70.355 35.825 -21.393
186 H3* C 17 H3* C 17 71.544 34.267 -23.226
187 H1* C 17 H1* C 17 68.173 35.763 -23.852
188 1H4 C 17 H41 C 17 67.957 40.855 -28.003
189 2H4 C 17 H42 C 17 67.103 39.579 -28.841
190 H5 C 17 H5 C 17 69.158 40.488 -25.930
191 H6 C 17 H6 C 17 69.763 38.832 -24.243
192 1H2* C 17 1H2* C 17 70.948 35.641 -25.147
193 2H2* C 17 2H2* C 17 69.722 34.381 -25.164
194 1H5* G 18 1H5* G 18 71.435 32.327 -21.466
195 2H5* G 18 2H5* G 18 71.174 30.712 -20.776
196 H4* G 18 H4* G 18 70.818 31.931 -18.918
197 H3* G 18 H3* G 18 68.152 31.746 -20.249
198 H1* G 18 H1* G 18 69.885 34.503 -18.018
199 H8 G 18 H8 G 18 69.674 36.992 -18.170
200 H1 G 18 H1 G 18 65.756 36.652 -23.226
201 1H2 G 18 H21 G 18 66.226 33.238 -22.977
202 2H2 G 18 H22 G 18 65.470 34.564 -23.838
203 1H2* G 18 1H2* G 18 67.273 33.494 -18.963
204 2H2* G 18 2H2* G 18 68.215 33.034 -17.553
205 1H5* C 19 1H5* C 19 64.473 30.168 -17.888
206 2H5* C 19 2H5* C 19 65.152 28.789 -18.777
207 H4* C 19 H4* C 19 63.358 29.405 -20.073
208 H3* C 19 H3* C 19 65.750 29.678 -21.307
209 H1* C 19 H1* C 19 63.076 32.519 -21.501
210 1H4 C 19 H41 C 19 65.550 37.402 -17.771
211 2H4 C 19 H42 C 19 64.711 38.152 -19.107
212 H5 C 19 H5 C 19 65.780 35.007 -17.542
213 H6 C 19 H6 C 19 65.267 32.850 -18.552
214 1H2* C 19 1H2* C 19 66.051 32.030 -21.085
215 2H2* C 19 2H2* C 19 65.125 32.004 -22.578
216 1H5* G 20 1H5* G 20 61.858 29.308 -25.455
217 2H5* G 20 2H5* G 20 62.072 29.821 -23.767
218 H4* G 20 H4* G 20 61.018 27.206 -24.820
219 H3* G 20 H3* G 20 59.766 29.482 -23.345
220 H1* G 20 H1* G 20 60.500 26.075 -21.591
221 H8 G 20 H8 G 20 61.458 26.420 -19.276
222 H1 G 20 H1 G 20 60.470 32.749 -19.563
223 1H2 G 20 H21 G 20 59.468 32.137 -22.813
224 2H2 G 20 H22 G 20 59.728 33.317 -21.548
225 1H2* G 20 1H2* G 20 58.507 27.988 -21.967
226 2H2* G 20 2H2* G 20 58.758 26.624 -23.049
Start of MODEL 5
1 1H5* C 1 1H5* C 1 58.940 41.125 -19.274
2 2H5* C 1 2H5* C 1 59.798 39.931 -18.278
3 H4* C 1 H4* C 1 60.395 40.316 -21.196
4 H3* C 1 H3* C 1 57.893 39.531 -20.594
5 H1* C 1 H1* C 1 60.664 36.940 -21.164
6 1H4 C 1 H41 C 1 62.505 34.278 -15.402
7 2H4 C 1 H42 C 1 62.116 32.936 -16.455
8 H5 C 1 H5 C 1 62.136 36.590 -16.040
9 H6 C 1 H6 C 1 61.331 38.067 -17.808
10 H5T C 1 H5* C 1 61.687 41.129 -19.560
11 1H2* C 1 1H2* C 1 58.469 37.676 -19.167
12 2H2* C 1 2H2* C 1 58.293 36.871 -20.720
13 H3* 8MG 2 H3* G 2 59.248 39.109 -24.963
14 1H2* 8MG 2 1H2* G 2 61.438 39.833 -25.435
15 2H2* 8MG 2 2H2* G 2 60.885 41.130 -26.484
16 H1* 8MG 2 H1* G 2 61.072 42.613 -24.788
17 H4* 8MG 2 H4* G 2 58.099 41.819 -25.465
18 1H5* 8MG 2 1H5* G 2 57.588 40.789 -22.826
19 2H5* 8MG 2 2H5* G 2 56.457 41.193 -24.134
20 1HC 8MG 2 1HC CH3 2 60.878 43.475 -22.199
21 2HC 8MG 2 2HC CH3 2 62.271 43.993 -23.177
22 3HC 8MG 2 3HC CH3 2 62.438 43.816 -21.414
23 H1 8MG 2 H1 G 2 63.463 36.999 -21.543
24 1H2 8MG 2 H21 G 2 61.308 36.465 -24.193
25 2H2 8MG 2 H22 G 2 62.362 35.763 -22.981
26 1H5* C 3 1H5* C 3 61.721 38.899 -29.634
27 2H5* C 3 2H5* C 3 60.364 37.761 -29.771
28 H4* C 3 H4* C 3 62.331 36.474 -29.770
29 H3* C 3 H3* C 3 60.436 35.889 -27.935
30 H1* C 3 H1* C 3 64.149 36.024 -27.019
31 1H4 C 3 H41 C 3 65.390 41.345 -23.285
32 2H4 C 3 H42 C 3 66.267 39.995 -22.591
33 H5 C 3 H5 C 3 63.879 41.074 -25.177
34 H6 C 3 H6 C 3 62.896 39.467 -26.727
35 1H2* C 3 1H2* C 3 61.423 37.036 -26.066
36 2H2* C 3 2H2* C 3 62.108 35.428 -25.866
37 1H5* G 4 1H5* G 4 59.882 34.652 -29.724
38 2H5* G 4 2H5* G 4 59.003 33.307 -30.481
39 H4* G 4 H4* G 4 60.273 33.454 -32.266
40 H3* G 4 H3* G 4 62.400 32.646 -30.385
41 H1* G 4 H1* G 4 62.154 35.165 -33.384
42 H8 G 4 H8 G 4 62.283 37.767 -33.415
43 H1 G 4 H1 G 4 66.844 37.638 -28.918
44 1H2 G 4 H21 G 4 66.025 34.283 -28.627
45 2H2 G 4 H22 G 4 67.019 35.607 -28.059
46 1H2* G 4 1H2* G 4 64.036 33.996 -31.339
47 2H2* G 4 2H2* G 4 63.598 33.412 -32.939
48 1H5* DFC 5 1H5* C 5 64.872 29.393 -34.059
49 2H5* DFC 5 2H5* C 5 65.744 30.861 -34.547
50 H4* DFC 5 H4* C 5 65.838 29.331 -31.984
51 H3* DFC 5 H3* C 5 67.642 29.323 -33.962
52 1H2* DFC 5 1H2* C 5 68.207 31.632 -34.050
53 2H2* DFC 5 2H2* C 5 69.368 31.107 -32.838
54 H1* DFC 5 H1* C 5 68.104 31.936 -31.036
55 1H4 DFC 5 H41 C 5 66.303 37.620 -33.938
56 2H4 DFC 5 H42 C 5 67.455 38.009 -32.680
57 H5 DFC 5 H5 C 5 65.649 35.344 -34.454
58 H6 DFC 5 H6 C 5 65.967 32.998 -33.873
59 1H5* DFG 6 1H5* G 6 70.363 30.579 -31.147
60 2H5* DFG 6 2H5* G 6 70.843 29.100 -30.290
61 H4* DFG 6 H4* G 6 72.930 29.774 -30.279
62 H3* DFG 6 H3* G 6 72.933 28.784 -32.775
63 1H2* DFG 6 1H2* G 6 72.314 30.729 -33.997
64 2H2* DFG 6 2H2* G 6 74.056 30.951 -33.979
65 H1* DFG 6 H1* G 6 73.999 32.526 -32.226
66 H8 DFG 6 H8 G 6 70.689 31.946 -34.076
67 H1 DFG 6 H1 G 6 72.058 38.060 -32.721
68 1H2 DFG 6 H21 G 6 74.721 36.742 -30.939
69 2H2 DFG 6 H22 G 6 73.851 38.172 -31.451
70 1H5* C 7 1H5* C 7 78.160 30.604 -31.903
71 2H5* C 7 2H5* C 7 76.826 31.450 -31.093
72 H4* C 7 H4* C 7 79.063 32.512 -32.500
73 H3* C 7 H3* C 7 77.612 33.368 -30.373
74 H1* C 7 H1* C 7 77.668 35.189 -33.677
75 1H4 C 7 H41 C 7 71.969 34.693 -36.980
76 2H4 C 7 H42 C 7 72.251 36.406 -36.784
77 H5 C 7 H5 C 7 73.373 33.005 -35.947
78 H6 C 7 H6 C 7 75.321 32.629 -34.526
79 1H2* C 7 1H2* C 7 75.673 34.082 -31.630
80 2H2* C 7 2H2* C 7 76.596 35.573 -31.513
81 1H5* G 8 1H5* G 8 82.125 36.631 -29.080
82 2H5* G 8 2H5* G 8 81.428 36.937 -30.684
83 H4* G 8 H4* G 8 83.099 34.691 -29.702
84 H3* G 8 H3* G 8 83.000 36.365 -32.186
85 H1* G 8 H1* G 8 82.817 32.474 -31.606
86 H8 G 8 H8 G 8 81.960 30.890 -33.362
87 H1 G 8 H1 G 8 78.606 35.503 -36.271
88 1H2 G 8 H21 G 8 79.984 37.596 -33.898
89 2H2 G 8 H22 G 8 78.916 37.425 -35.276
90 1H2* G 8 1H2* G 8 83.663 34.534 -33.509
91 2H2* G 8 2H2* G 8 84.576 33.803 -32.197
92 1H5* C 9 1H5* C 9 86.408 38.235 -34.283
93 2H5* C 9 2H5* C 9 85.884 39.389 -33.039
94 H4* C 9 H4* C 9 84.962 40.175 -35.027
95 H3* C 9 H3* C 9 83.205 39.574 -33.040
96 H1* C 9 H1* C 9 82.580 38.677 -36.712
97 1H4 C 9 H41 C 9 82.827 32.085 -37.334
98 2H4 C 9 H42 C 9 81.607 32.682 -38.441
99 H5 C 9 H5 C 9 84.030 33.548 -35.813
100 H6 C 9 H6 C 9 84.289 35.851 -35.051
101 1H2* C 9 1H2* C 9 82.432 37.475 -33.902
102 2H2* C 9 2H2* C 9 81.294 38.572 -34.673
103 1H5* G 10 1H5* G 10 82.950 43.800 -36.418
104 2H5* G 10 2H5* G 10 83.473 42.157 -35.990
105 H4* G 10 H4* G 10 84.649 44.628 -34.736
106 H3* G 10 H3* G 10 85.400 43.402 -37.365
107 H1* G 10 H1* G 10 87.464 42.967 -34.074
108 H8 G 10 H8 G 10 88.975 40.954 -34.191
109 H1 G 10 H1 G 10 85.494 38.303 -38.876
110 1H2 G 10 H21 G 10 83.672 41.243 -38.762
111 2H2 G 10 H22 G 10 83.874 39.664 -39.489
112 1H2* G 10 1H2* G 10 87.718 43.567 -36.815
113 2H2* G 10 2H2* G 10 87.433 44.756 -35.551
114 1H5* C 11 1H5* C 11 80.783 34.292 -45.339
115 2H5* C 11 2H5* C 11 82.117 34.140 -44.178
116 H4* C 11 H4* C 11 79.354 35.076 -43.436
117 H3* C 11 H3* C 11 80.792 36.646 -45.064
118 H1* C 11 H1* C 11 81.125 37.038 -41.253
119 1H4 C 11 H41 C 11 86.808 34.380 -39.198
120 2H4 C 11 H42 C 11 86.792 36.014 -38.575
121 H5 C 11 H5 C 11 85.111 33.534 -40.704
122 H6 C 11 H6 C 11 83.063 34.081 -41.909
123 H5T C 11 H5* C 11 80.138 32.957 -43.012
124 1H2* C 11 1H2* C 11 82.827 36.692 -43.769
125 2H2* C 11 2H2* C 11 82.019 38.146 -43.198
126 H3* 8MG 12 H3* G 12 77.051 38.397 -43.069
127 1H2* 8MG 12 1H2* G 12 75.913 36.936 -41.619
128 2H2* 8MG 12 2H2* G 12 74.482 36.887 -42.637
129 H1* 8MG 12 H1* G 12 75.180 34.955 -43.590
130 H4* 8MG 12 H4* G 12 75.529 37.422 -45.447
131 1H5* 8MG 12 1H5* G 12 78.369 37.115 -45.703
132 2H5* 8MG 12 2H5* G 12 77.246 38.135 -46.626
133 1HC 8MG 12 1HC CH3 12 77.175 31.689 -43.593
134 2HC 8MG 12 2HC CH3 12 76.972 33.167 -44.562
135 3HC 8MG 12 3HC CH3 12 75.620 32.553 -43.582
136 H1 8MG 12 H1 G 12 80.221 35.724 -38.914
137 1H2 8MG 12 H21 G 12 78.674 38.616 -40.008
138 2H2 8MG 12 H22 G 12 79.843 37.878 -38.928
139 1H5* C 13 1H5* C 13 72.738 39.299 -40.218
140 2H5* C 13 2H5* C 13 73.305 40.917 -40.680
141 H4* C 13 H4* C 13 73.694 40.778 -38.391
142 H3* C 13 H3* C 13 75.858 41.240 -39.941
143 H1* C 13 H1* C 13 75.973 38.704 -37.059
144 1H4 C 13 H41 C 13 76.205 32.586 -39.565
145 2H4 C 13 H42 C 13 77.301 32.637 -38.200
146 H5 C 13 H5 C 13 75.032 34.559 -40.368
147 H6 C 13 H6 C 13 74.710 36.954 -40.041
148 1H2* C 13 1H2* C 13 76.712 38.999 -40.011
149 2H2* C 13 2H2* C 13 77.568 39.630 -38.611
150 1H5* G 14 1H5* G 14 75.601 45.924 -38.699
151 2H5* G 14 2H5* G 14 76.587 45.354 -37.337
152 H4* G 14 H4* G 14 74.087 46.103 -37.031
153 H3* G 14 H3* G 14 75.579 43.968 -35.580
154 H1* G 14 H1* G 14 71.826 44.550 -36.593
155 H8 G 14 H8 G 14 70.388 42.970 -38.097
156 H1 G 14 H1 G 14 73.306 37.866 -35.545
157 1H2 G 14 H21 G 14 75.504 40.180 -34.204
158 2H2 G 14 H22 G 14 75.073 38.493 -34.375
159 1H2* G 14 1H2* G 14 73.620 42.963 -34.812
160 2H2* G 14 2H2* G 14 72.857 44.523 -34.541
161 1H5* DFC 15 1H5* C 15 74.071 46.609 -31.283
162 2H5* DFC 15 2H5* C 15 73.749 45.865 -32.864
163 H4* DFC 15 H4* C 15 75.550 44.313 -31.164
164 H3* DFC 15 H3* C 15 73.114 45.261 -29.885
165 1H2* DFC 15 1H2* C 15 71.840 43.351 -30.260
166 2H2* DFC 15 2H2* C 15 73.065 42.433 -29.395
167 H1* DFC 15 H1* C 15 74.216 41.797 -31.328
168 1H4 DFC 15 H41 C 15 68.867 40.314 -34.955
169 2H4 DFC 15 H42 C 15 69.601 38.809 -34.446
170 H5 DFC 15 H5 C 15 69.721 42.481 -34.262
171 H6 DFC 15 H6 C 15 71.437 43.622 -32.954
172 1H5* DFG 16 1H5* G 16 74.666 42.151 -28.234
173 2H5* DFG 16 2H5* G 16 76.000 42.075 -27.065
174 H4* DFG 16 H4* G 16 75.033 40.387 -26.045
175 H3* DFG 16 H3* G 16 73.518 42.371 -24.953
176 1H2* DFG 16 1H2* G 16 71.690 42.255 -26.507
177 2H2* DFG 16 2H2* G 16 71.144 41.128 -25.273
178 H1* DFG 16 H1* G 16 72.023 39.211 -26.472
179 H8 DFG 16 H8 G 16 70.975 42.307 -28.511
180 H1 DFG 16 H1 G 16 68.980 36.656 -30.792
181 1H2 DFG 16 H21 G 16 70.947 35.306 -28.283
182 2H2 DFG 16 H22 G 16 69.866 35.012 -29.629
183 1H5* C 17 1H5* C 17 72.410 38.052 -21.562
184 2H5* C 17 2H5* C 17 72.915 37.718 -23.231
185 H4* C 17 H4* C 17 70.860 36.508 -21.706
186 H3* C 17 H3* C 17 72.442 35.629 -23.702
187 H1* C 17 H1* C 17 68.676 36.098 -24.245
188 1H4 C 17 H41 C 17 67.556 41.442 -27.959
189 2H4 C 17 H42 C 17 66.764 40.122 -28.784
190 H5 C 17 H5 C 17 68.951 41.119 -26.005
191 H6 C 17 H6 C 17 69.855 39.472 -24.451
192 1H2* C 17 1H2* C 17 71.370 36.803 -25.510
193 2H2* C 17 2H2* C 17 70.523 35.263 -25.554
194 1H5* G 18 1H5* G 18 71.613 30.285 -22.073
195 2H5* G 18 2H5* G 18 70.091 30.937 -22.713
196 H4* G 18 H4* G 18 71.208 31.055 -20.043
197 H3* G 18 H3* G 18 68.485 31.441 -21.245
198 H1* G 18 H1* G 18 70.536 33.584 -18.662
199 H8 G 18 H8 G 18 70.324 36.077 -18.464
200 H1 G 18 H1 G 18 66.091 36.384 -23.264
201 1H2 G 18 H21 G 18 66.582 32.974 -23.520
202 2H2 G 18 H22 G 18 65.769 34.402 -24.133
203 1H2* G 18 1H2* G 18 67.834 32.761 -19.401
204 2H2* G 18 2H2* G 18 68.958 31.962 -18.312
205 1H5* C 19 1H5* C 19 65.041 30.000 -18.251
206 2H5* C 19 2H5* C 19 65.241 28.570 -19.286
207 H4* C 19 H4* C 19 63.313 29.435 -20.121
208 H3* C 19 H3* C 19 65.303 29.623 -21.916
209 H1* C 19 H1* C 19 62.988 32.633 -21.251
210 1H4 C 19 H41 C 19 66.411 37.160 -17.839
211 2H4 C 19 H42 C 19 65.457 38.016 -19.033
212 H5 C 19 H5 C 19 66.474 34.732 -17.719
213 H6 C 19 H6 C 19 65.641 32.666 -18.713
214 1H2* C 19 1H2* C 19 65.945 31.899 -21.485
215 2H2* C 19 2H2* C 19 64.774 32.125 -22.777
216 1H5* G 20 1H5* G 20 60.161 29.335 -24.063
217 2H5* G 20 2H5* G 20 61.245 29.689 -22.700
218 H4* G 20 H4* G 20 60.679 26.912 -23.726
219 H3* G 20 H3* G 20 59.113 28.504 -21.738
220 H1* G 20 H1* G 20 61.620 25.757 -20.593
221 H8 G 20 H8 G 20 62.080 26.202 -18.133
222 H1 G 20 H1 G 20 60.874 32.459 -18.841
223 1H2 G 20 H21 G 20 59.921 31.589 -22.053
224 2H2 G 20 H22 G 20 60.136 32.865 -20.876
225 1H2* G 20 1H2* G 20 59.002 26.633 -20.247
226 2H2* G 20 2H2* G 20 59.472 25.489 -21.496
Start of MODEL 6
1 1H5* C 1 1H5* C 1 59.051 39.698 -18.190
2 2H5* C 1 2H5* C 1 60.812 39.689 -17.975
3 H4* C 1 H4* C 1 60.582 40.071 -20.660
4 H3* C 1 H3* C 1 58.006 39.396 -20.250
5 H1* C 1 H1* C 1 60.601 36.741 -21.223
6 1H4 C 1 H41 C 1 62.030 32.961 -15.999
7 2H4 C 1 H42 C 1 61.571 31.859 -17.279
8 H5 C 1 H5 C 1 61.855 35.370 -16.219
9 H6 C 1 H6 C 1 61.227 37.194 -17.712
10 H5T C 1 H5* C 1 60.614 41.777 -18.093
11 1H2* C 1 1H2* C 1 58.383 37.271 -19.187
12 2H2* C 1 2H2* C 1 58.215 36.782 -20.867
13 H3* 8MG 2 H3* G 2 59.448 39.761 -25.383
14 1H2* 8MG 2 1H2* G 2 61.727 40.305 -25.272
15 2H2* 8MG 2 2H2* G 2 61.510 41.795 -26.178
16 H1* 8MG 2 H1* G 2 61.339 43.026 -24.272
17 H4* 8MG 2 H4* G 2 58.690 42.658 -25.476
18 1H5* 8MG 2 1H5* G 2 56.776 42.125 -24.433
19 2H5* 8MG 2 2H5* G 2 57.126 40.534 -25.136
20 1HC 8MG 2 1HC CH3 2 60.931 43.485 -21.596
21 2HC 8MG 2 2HC CH3 2 62.380 44.113 -22.416
22 3HC 8MG 2 3HC CH3 2 62.446 43.693 -20.687
23 H1 8MG 2 H1 G 2 63.252 36.915 -21.623
24 1H2 8MG 2 H21 G 2 61.329 36.816 -24.494
25 2H2 8MG 2 H22 G 2 62.240 35.920 -23.294
26 1H5* C 3 1H5* C 3 62.734 39.963 -29.436
27 2H5* C 3 2H5* C 3 61.370 38.961 -29.976
28 H4* C 3 H4* C 3 63.148 37.482 -29.731
29 H3* C 3 H3* C 3 60.958 36.952 -28.233
30 H1* C 3 H1* C 3 64.493 36.683 -26.813
31 1H4 C 3 H41 C 3 65.593 41.571 -22.490
32 2H4 C 3 H42 C 3 66.323 40.115 -21.845
33 H5 C 3 H5 C 3 64.285 41.570 -24.545
34 H6 C 3 H6 C 3 63.404 40.175 -26.344
35 1H2* C 3 1H2* C 3 61.753 37.884 -26.164
36 2H2* C 3 2H2* C 3 62.262 36.210 -25.996
37 1H5* G 4 1H5* G 4 59.752 33.603 -31.532
38 2H5* G 4 2H5* G 4 60.820 32.599 -30.529
39 H4* G 4 H4* G 4 61.522 33.327 -32.933
40 H3* G 4 H3* G 4 63.253 33.051 -30.524
41 H1* G 4 H1* G 4 63.321 35.298 -33.753
42 H8 G 4 H8 G 4 63.159 37.923 -33.747
43 H1 G 4 H1 G 4 66.929 38.102 -28.562
44 1H2 G 4 H21 G 4 66.377 34.697 -28.420
45 2H2 G 4 H22 G 4 67.149 36.094 -27.700
46 1H2* G 4 1H2* G 4 64.966 34.333 -31.458
47 2H2* G 4 2H2* G 4 64.709 33.619 -33.045
48 1H5* DFC 5 1H5* C 5 65.765 29.527 -33.705
49 2H5* DFC 5 2H5* C 5 65.340 31.159 -33.150
50 H4* DFC 5 H4* C 5 66.638 29.388 -31.175
51 H3* DFC 5 H3* C 5 67.934 29.314 -33.576
52 1H2* DFC 5 1H2* C 5 68.458 31.612 -33.832
53 2H2* DFC 5 2H2* C 5 69.817 31.148 -32.820
54 H1* DFC 5 H1* C 5 68.832 31.955 -30.835
55 1H4 DFC 5 H41 C 5 66.924 37.708 -33.529
56 2H4 DFC 5 H42 C 5 67.969 38.062 -32.170
57 H5 DFC 5 H5 C 5 66.377 35.439 -34.195
58 H6 DFC 5 H6 C 5 66.715 33.078 -33.688
59 1H5* DFG 6 1H5* G 6 70.810 30.074 -30.832
60 2H5* DFG 6 2H5* G 6 71.335 28.671 -29.879
61 H4* DFG 6 H4* G 6 73.366 29.493 -29.770
62 H3* DFG 6 H3* G 6 73.509 28.465 -32.293
63 1H2* DFG 6 1H2* G 6 73.154 30.379 -33.604
64 2H2* DFG 6 2H2* G 6 74.854 30.670 -33.263
65 H1* DFG 6 H1* G 6 74.429 32.249 -31.600
66 H8 DFG 6 H8 G 6 71.371 31.505 -33.825
67 H1 DFG 6 H1 G 6 72.366 37.673 -32.385
68 1H2 DFG 6 H21 G 6 74.915 36.467 -30.379
69 2H2 DFG 6 H22 G 6 74.036 37.861 -30.974
70 1H5* C 7 1H5* C 7 77.742 30.609 -33.264
71 2H5* C 7 2H5* C 7 78.453 30.608 -31.638
72 H4* C 7 H4* C 7 79.457 32.409 -32.669
73 H3* C 7 H3* C 7 78.021 33.072 -30.495
74 H1* C 7 H1* C 7 77.726 35.120 -33.712
75 1H4 C 7 H41 C 7 72.042 33.832 -36.812
76 2H4 C 7 H42 C 7 72.065 35.564 -36.568
77 H5 C 7 H5 C 7 73.722 32.356 -35.878
78 H6 C 7 H6 C 7 75.763 32.250 -34.548
79 1H2* C 7 1H2* C 7 75.988 33.691 -31.639
80 2H2* C 7 2H2* C 7 76.792 35.248 -31.485
81 1H5* G 8 1H5* G 8 81.938 36.911 -28.780
82 2H5* G 8 2H5* G 8 81.306 37.335 -30.383
83 H4* G 8 H4* G 8 83.605 35.767 -29.653
84 H3* G 8 H3* G 8 82.598 37.024 -32.184
85 H1* G 8 H1* G 8 83.794 33.319 -31.756
86 H8 G 8 H8 G 8 82.647 31.621 -33.206
87 H1 G 8 H1 G 8 78.836 36.031 -35.854
88 1H2 G 8 H21 G 8 80.366 38.242 -33.679
89 2H2 G 8 H22 G 8 79.174 37.991 -34.940
90 1H2* G 8 1H2* G 8 83.995 35.581 -33.467
91 2H2* G 8 2H2* G 8 85.049 35.230 -32.105
92 1H5* C 9 1H5* C 9 86.464 38.484 -34.699
93 2H5* C 9 2H5* C 9 86.132 39.964 -33.777
94 H4* C 9 H4* C 9 85.587 40.524 -35.954
95 H3* C 9 H3* C 9 83.549 40.703 -34.196
96 H1* C 9 H1* C 9 83.056 39.100 -37.643
97 1H4 C 9 H41 C 9 82.411 32.549 -36.973
98 2H4 C 9 H42 C 9 81.125 33.081 -38.037
99 H5 C 9 H5 C 9 83.919 34.107 -35.875
100 H6 C 9 H6 C 9 84.480 36.463 -35.576
101 1H2* C 9 1H2* C 9 82.510 38.587 -34.676
102 2H2* C 9 2H2* C 9 81.633 39.649 -35.769
103 1H5* G 10 1H5* G 10 83.538 44.145 -38.526
104 2H5* G 10 2H5* G 10 83.985 42.574 -37.827
105 H4* G 10 H4* G 10 85.429 45.165 -37.277
106 H3* G 10 H3* G 10 85.920 43.163 -39.452
107 H1* G 10 H1* G 10 88.140 43.404 -36.258
108 H8 G 10 H8 G 10 89.333 41.224 -35.856
109 H1 G 10 H1 G 10 85.340 38.017 -39.709
110 1H2 G 10 H21 G 10 83.897 41.116 -40.277
111 2H2 G 10 H22 G 10 83.874 39.396 -40.607
112 1H2* G 10 1H2* G 10 88.277 43.268 -39.053
113 2H2* G 10 2H2* G 10 88.156 44.771 -38.150
114 1H5* C 11 1H5* C 11 79.774 32.407 -42.207
115 2H5* C 11 2H5* C 11 79.691 32.503 -43.976
116 H4* C 11 H4* C 11 78.901 34.545 -42.969
117 H3* C 11 H3* C 11 80.537 34.580 -45.090
118 H1* C 11 H1* C 11 81.394 36.787 -42.002
119 1H4 C 11 H41 C 11 86.477 33.791 -38.987
120 2H4 C 11 H42 C 11 86.663 35.516 -38.748
121 H5 C 11 H5 C 11 84.684 32.840 -40.315
122 H6 C 11 H6 C 11 82.721 33.350 -41.669
123 H5T C 11 H5* C 11 81.725 31.731 -42.728
124 1H2* C 11 1H2* C 11 82.633 34.791 -43.947
125 2H2* C 11 2H2* C 11 82.243 36.485 -44.213
126 H3* 8MG 12 H3* G 12 76.430 38.174 -42.727
127 1H2* 8MG 12 1H2* G 12 75.267 36.971 -41.062
128 2H2* 8MG 12 2H2* G 12 73.770 36.953 -41.981
129 H1* 8MG 12 H1* G 12 74.274 34.875 -42.756
130 H4* 8MG 12 H4* G 12 74.564 37.202 -44.855
131 1H5* 8MG 12 1H5* G 12 76.168 37.847 -46.210
132 2H5* 8MG 12 2H5* G 12 77.187 38.284 -44.823
133 1HC 8MG 12 1HC CH3 12 75.823 32.798 -43.668
134 2HC 8MG 12 2HC CH3 12 74.518 32.543 -42.483
135 3HC 8MG 12 3HC CH3 12 75.944 31.478 -42.480
136 H1 8MG 12 H1 G 12 79.980 35.808 -38.932
137 1H2 8MG 12 H21 G 12 78.474 38.663 -40.192
138 2H2 8MG 12 H22 G 12 79.742 37.980 -39.190
139 1H5* C 13 1H5* C 13 72.522 39.716 -39.555
140 2H5* C 13 2H5* C 13 73.209 41.229 -40.183
141 H4* C 13 H4* C 13 73.771 41.119 -37.899
142 H3* C 13 H3* C 13 75.771 41.429 -39.711
143 H1* C 13 H1* C 13 76.047 39.140 -36.693
144 1H4 C 13 H41 C 13 76.081 32.777 -38.482
145 2H4 C 13 H42 C 13 77.345 32.990 -37.286
146 H5 C 13 H5 C 13 74.805 34.649 -39.370
147 H6 C 13 H6 C 13 74.502 37.068 -39.293
148 1H2* C 13 1H2* C 13 76.543 39.152 -39.715
149 2H2* C 13 2H2* C 13 77.561 39.846 -38.461
150 1H5* G 14 1H5* G 14 75.882 45.247 -35.748
151 2H5* G 14 2H5* G 14 75.768 43.477 -35.691
152 H4* G 14 H4* G 14 73.719 45.386 -36.810
153 H3* G 14 H3* G 14 73.972 44.188 -34.132
154 H1* G 14 H1* G 14 71.481 43.832 -37.119
155 H8 G 14 H8 G 14 69.981 42.053 -38.040
156 H1 G 14 H1 G 14 73.224 37.360 -35.127
157 1H2 G 14 H21 G 14 75.154 39.927 -33.817
158 2H2 G 14 H22 G 14 74.880 38.201 -33.924
159 1H2* G 14 1H2* G 14 72.114 42.812 -34.343
160 2H2* G 14 2H2* G 14 71.156 44.198 -34.841
161 1H5* DFC 15 1H5* C 15 72.900 46.262 -30.414
162 2H5* DFC 15 2H5* C 15 71.729 44.931 -30.311
163 H4* DFC 15 H4* C 15 74.667 44.875 -30.829
164 H3* DFC 15 H3* C 15 73.368 44.197 -28.582
165 1H2* DFC 15 1H2* C 15 71.934 42.502 -29.491
166 2H2* DFC 15 2H2* C 15 73.302 41.526 -28.973
167 H1* DFC 15 H1* C 15 74.256 41.445 -31.163
168 1H4 DFC 15 H41 C 15 68.628 39.743 -34.209
169 2H4 DFC 15 H42 C 15 69.536 38.275 -33.914
170 H5 DFC 15 H5 C 15 69.386 41.920 -33.429
171 H6 DFC 15 H6 C 15 71.142 43.097 -32.210
172 1H5* DFG 16 1H5* G 16 73.763 43.171 -25.655
173 2H5* DFG 16 2H5* G 16 73.757 42.395 -27.251
174 H4* DFG 16 H4* G 16 75.452 40.963 -25.407
175 H3* DFG 16 H3* G 16 73.566 41.921 -23.811
176 1H2* DFG 16 1H2* G 16 71.634 41.414 -25.143
177 2H2* DFG 16 2H2* G 16 71.702 39.991 -24.111
178 H1* DFG 16 H1* G 16 72.706 38.643 -25.784
179 H8 DFG 16 H8 G 16 71.276 41.896 -27.334
180 H1 DFG 16 H1 G 16 69.548 36.402 -30.150
181 1H2 DFG 16 H21 G 16 71.645 34.920 -27.829
182 2H2 DFG 16 H22 G 16 70.543 34.705 -29.175
183 1H5* C 17 1H5* C 17 71.282 38.511 -20.743
184 2H5* C 17 2H5* C 17 72.472 37.199 -20.845
185 H4* C 17 H4* C 17 70.257 36.337 -21.141
186 H3* C 17 H3* C 17 72.282 35.703 -22.910
187 H1* C 17 H1* C 17 68.648 36.275 -23.750
188 1H4 C 17 H41 C 17 67.698 41.617 -27.513
189 2H4 C 17 H42 C 17 66.983 40.286 -28.394
190 H5 C 17 H5 C 17 68.968 41.304 -25.469
191 H6 C 17 H6 C 17 69.790 39.660 -23.866
192 1H2* C 17 1H2* C 17 71.453 36.995 -24.754
193 2H2* C 17 2H2* C 17 70.584 35.489 -25.014
194 1H5* G 18 1H5* G 18 71.326 30.196 -21.932
195 2H5* G 18 2H5* G 18 69.903 30.918 -22.708
196 H4* G 18 H4* G 18 70.526 30.616 -19.926
197 H3* G 18 H3* G 18 68.090 31.425 -21.481
198 H1* G 18 H1* G 18 69.739 32.995 -18.276
199 H8 G 18 H8 G 18 69.818 35.488 -17.908
200 H1 G 18 H1 G 18 66.007 36.601 -22.940
201 1H2 G 18 H21 G 18 66.206 33.197 -23.476
202 2H2 G 18 H22 G 18 65.574 34.746 -23.998
203 1H2* G 18 1H2* G 18 67.186 32.458 -19.558
204 2H2* G 18 2H2* G 18 68.084 31.421 -18.461
205 1H5* C 19 1H5* C 19 64.169 29.183 -19.162
206 2H5* C 19 2H5* C 19 64.547 28.152 -20.558
207 H4* C 19 H4* C 19 62.569 29.262 -21.110
208 H3* C 19 H3* C 19 64.654 29.579 -22.798
209 H1* C 19 H1* C 19 62.459 32.544 -21.746
210 1H4 C 19 H41 C 19 65.899 36.479 -17.685
211 2H4 C 19 H42 C 19 65.087 37.514 -18.843
212 H5 C 19 H5 C 19 65.817 34.053 -17.830
213 H6 C 19 H6 C 19 64.950 32.160 -19.102
214 1H2* C 19 1H2* C 19 65.394 31.726 -22.017
215 2H2* C 19 2H2* C 19 64.283 32.208 -23.290
216 1H5* G 20 1H5* G 20 63.008 27.996 -23.759
217 2H5* G 20 2H5* G 20 63.308 27.022 -25.214
218 H4* G 20 H4* G 20 61.084 26.571 -25.549
219 H3* G 20 H3* G 20 60.461 29.134 -24.144
220 H1* G 20 H1* G 20 59.438 25.745 -22.553
221 H8 G 20 H8 G 20 60.724 25.723 -20.229
222 H1 G 20 H1 G 20 60.267 32.111 -20.029
223 1H2 G 20 H21 G 20 59.380 31.845 -23.367
224 2H2 G 20 H22 G 20 59.684 32.898 -22.000
225 1H2* G 20 1H2* G 20 58.427 28.222 -23.259
226 2H2* G 20 2H2* G 20 58.440 26.862 -24.373
Start of MODEL 7
1 1H5* C 1 1H5* C 1 59.199 40.969 -18.855
2 2H5* C 1 2H5* C 1 60.317 39.838 -18.070
3 H4* C 1 H4* C 1 60.531 40.322 -21.005
4 H3* C 1 H3* C 1 58.052 39.627 -20.255
5 H1* C 1 H1* C 1 60.622 36.943 -21.141
6 1H4 C 1 H41 C 1 62.871 33.927 -15.709
7 2H4 C 1 H42 C 1 62.386 32.656 -16.806
8 H5 C 1 H5 C 1 62.486 36.277 -16.172
9 H6 C 1 H6 C 1 61.575 37.870 -17.780
10 H5T C 1 H5* C 1 61.914 41.174 -19.488
11 1H2* C 1 1H2* C 1 58.659 37.706 -18.918
12 2H2* C 1 2H2* C 1 58.292 36.962 -20.468
13 H3* 8MG 2 H3* G 2 59.349 39.539 -24.629
14 1H2* 8MG 2 1H2* G 2 61.574 40.178 -25.058
15 2H2* 8MG 2 2H2* G 2 61.091 41.554 -26.039
16 H1* 8MG 2 H1* G 2 61.330 42.942 -24.273
17 H4* 8MG 2 H4* G 2 58.348 42.334 -24.973
18 1H5* 8MG 2 1H5* G 2 57.779 41.167 -22.398
19 2H5* 8MG 2 2H5* G 2 56.674 41.739 -23.665
20 1HC 8MG 2 1HC CH3 2 62.523 44.203 -22.542
21 2HC 8MG 2 2HC CH3 2 62.713 43.878 -20.803
22 3HC 8MG 2 3HC CH3 2 61.142 43.605 -21.592
23 H1 8MG 2 H1 G 2 63.570 37.078 -21.393
24 1H2 8MG 2 H21 G 2 61.351 36.771 -24.028
25 2H2 8MG 2 H22 G 2 62.397 35.963 -22.874
26 1H5* C 3 1H5* C 3 61.883 39.475 -29.245
27 2H5* C 3 2H5* C 3 60.473 38.424 -29.489
28 H4* C 3 H4* C 3 62.320 37.001 -29.525
29 H3* C 3 H3* C 3 60.429 36.453 -27.696
30 H1* C 3 H1* C 3 64.142 36.397 -26.741
31 1H4 C 3 H41 C 3 65.566 41.686 -23.025
32 2H4 C 3 H42 C 3 66.410 40.312 -22.338
33 H5 C 3 H5 C 3 64.031 41.458 -24.899
34 H6 C 3 H6 C 3 62.993 39.882 -26.445
35 1H2* C 3 1H2* C 3 61.461 37.538 -25.812
36 2H2* C 3 2H2* C 3 62.061 35.896 -25.626
37 1H5* G 4 1H5* G 4 61.122 31.883 -30.553
38 2H5* G 4 2H5* G 4 62.448 32.794 -29.801
39 H4* G 4 H4* G 4 60.672 33.627 -32.085
40 H3* G 4 H3* G 4 63.415 32.593 -31.986
41 H1* G 4 H1* G 4 61.748 35.955 -33.001
42 H8 G 4 H8 G 4 62.373 38.377 -33.115
43 H1 G 4 H1 G 4 66.822 37.765 -28.550
44 1H2 G 4 H21 G 4 66.000 34.403 -28.623
45 2H2 G 4 H22 G 4 66.979 35.663 -27.907
46 1H2* G 4 1H2* G 4 64.428 34.602 -32.568
47 2H2* G 4 2H2* G 4 63.418 34.655 -34.005
48 1H5* DFC 5 1H5* C 5 65.066 29.086 -33.983
49 2H5* DFC 5 2H5* C 5 65.457 30.584 -34.852
50 H4* DFC 5 H4* C 5 65.856 29.921 -31.947
51 H3* DFC 5 H3* C 5 67.654 29.917 -34.154
52 1H2* DFC 5 1H2* C 5 68.341 32.151 -34.049
53 2H2* DFC 5 2H2* C 5 69.144 31.680 -32.558
54 H1* DFC 5 H1* C 5 67.377 32.406 -31.173
55 1H4 DFC 5 H41 C 5 66.592 38.263 -34.164
56 2H4 DFC 5 H42 C 5 67.530 38.541 -32.713
57 H5 DFC 5 H5 C 5 65.922 36.047 -34.881
58 H6 DFC 5 H6 C 5 66.008 33.668 -34.346
59 1H5* DFG 6 1H5* G 6 71.176 28.893 -34.248
60 2H5* DFG 6 2H5* G 6 70.266 30.033 -33.236
61 H4* DFG 6 H4* G 6 72.239 28.744 -31.630
62 H3* DFG 6 H3* G 6 73.395 28.585 -34.001
63 1H2* DFG 6 1H2* G 6 73.029 30.795 -34.819
64 2H2* DFG 6 2H2* G 6 74.597 31.019 -34.056
65 H1* DFG 6 H1* G 6 73.698 32.103 -32.177
66 H8 DFG 6 H8 G 6 70.803 31.634 -34.712
67 H1 DFG 6 H1 G 6 71.861 37.626 -32.690
68 1H2 DFG 6 H21 G 6 74.353 36.208 -30.753
69 2H2 DFG 6 H22 G 6 73.507 37.661 -31.242
70 1H5* C 7 1H5* C 7 78.128 30.531 -31.740
71 2H5* C 7 2H5* C 7 76.823 31.450 -30.963
72 H4* C 7 H4* C 7 79.048 32.396 -32.433
73 H3* C 7 H3* C 7 77.564 33.425 -30.423
74 H1* C 7 H1* C 7 77.627 34.976 -33.863
75 1H4 C 7 H41 C 7 72.118 34.024 -37.341
76 2H4 C 7 H42 C 7 72.161 35.749 -37.059
77 H5 C 7 H5 C 7 73.680 32.487 -36.311
78 H6 C 7 H6 C 7 75.609 32.300 -34.832
79 1H2* C 7 1H2* C 7 75.628 33.987 -31.761
80 2H2* C 7 2H2* C 7 76.520 35.502 -31.752
81 1H5* G 8 1H5* G 8 81.809 35.771 -28.225
82 2H5* G 8 2H5* G 8 81.328 36.949 -29.463
83 H4* G 8 H4* G 8 83.303 34.951 -29.605
84 H3* G 8 H3* G 8 82.314 37.079 -31.429
85 H1* G 8 H1* G 8 83.444 33.336 -31.856
86 H8 G 8 H8 G 8 82.411 31.374 -33.081
87 H1 G 8 H1 G 8 78.451 35.210 -36.342
88 1H2 G 8 H21 G 8 79.715 37.716 -34.325
89 2H2 G 8 H22 G 8 78.610 37.272 -35.612
90 1H2* G 8 1H2* G 8 82.783 35.848 -33.349
91 2H2* G 8 2H2* G 8 84.315 35.304 -32.682
92 1H5* C 9 1H5* C 9 86.157 38.042 -34.299
93 2H5* C 9 2H5* C 9 86.363 39.312 -33.075
94 H4* C 9 H4* C 9 85.662 40.608 -34.772
95 H3* C 9 H3* C 9 83.680 40.448 -33.001
96 H1* C 9 H1* C 9 82.823 39.534 -36.759
97 1H4 C 9 H41 C 9 82.685 32.915 -36.663
98 2H4 C 9 H42 C 9 81.456 33.446 -37.788
99 H5 C 9 H5 C 9 83.996 34.461 -35.338
100 H6 C 9 H6 C 9 84.400 36.811 -34.836
101 1H2* C 9 1H2* C 9 82.431 38.627 -33.897
102 2H2* C 9 2H2* C 9 81.661 39.951 -34.761
103 1H5* G 10 1H5* G 10 85.366 42.047 -33.382
104 2H5* G 10 2H5* G 10 85.932 43.291 -32.250
105 H4* G 10 H4* G 10 86.053 44.889 -34.125
106 H3* G 10 H3* G 10 85.045 42.601 -35.757
107 H1* G 10 H1* G 10 88.811 43.445 -35.912
108 H8 G 10 H8 G 10 89.363 41.095 -34.250
109 H1 G 10 H1 G 10 85.810 38.105 -38.674
110 1H2 G 10 H21 G 10 84.734 41.283 -39.506
111 2H2 G 10 H22 G 10 84.636 39.565 -39.823
112 1H2* G 10 1H2* G 10 86.612 43.081 -37.516
113 2H2* G 10 2H2* G 10 87.005 44.665 -36.861
114 1H5* C 11 1H5* C 11 82.056 33.283 -43.286
115 2H5* C 11 2H5* C 11 80.626 32.920 -42.301
116 H4* C 11 H4* C 11 79.607 35.025 -43.294
117 H3* C 11 H3* C 11 81.662 35.231 -45.003
118 H1* C 11 H1* C 11 81.766 37.282 -41.667
119 1H4 C 11 H41 C 11 86.132 34.086 -37.848
120 2H4 C 11 H42 C 11 86.427 35.795 -37.632
121 H5 C 11 H5 C 11 84.502 33.226 -39.419
122 H6 C 11 H6 C 11 82.836 33.829 -41.093
123 H5T C 11 H5* C 11 79.991 33.568 -44.878
124 1H2* C 11 1H2* C 11 83.456 35.483 -43.445
125 2H2* C 11 2H2* C 11 83.021 37.170 -43.677
126 H3* 8MG 12 H3* G 12 76.680 38.232 -42.841
127 1H2* 8MG 12 1H2* G 12 75.534 36.586 -41.617
128 2H2* 8MG 12 2H2* G 12 74.369 36.304 -42.899
129 H1* 8MG 12 H1* G 12 75.578 34.515 -43.614
130 H4* 8MG 12 H4* G 12 75.840 37.085 -45.464
131 1H5* 8MG 12 1H5* G 12 77.428 38.698 -45.815
132 2H5* 8MG 12 2H5* G 12 78.353 38.266 -44.362
133 1HC 8MG 12 1HC CH3 12 77.603 31.478 -42.814
134 2HC 8MG 12 2HC CH3 12 77.539 32.778 -44.027
135 3HC 8MG 12 3HC CH3 12 76.061 32.295 -43.162
136 H1 8MG 12 H1 G 12 80.117 36.385 -38.669
137 1H2 8MG 12 H21 G 12 78.438 38.961 -40.243
138 2H2 8MG 12 H22 G 12 79.581 38.480 -39.007
139 1H5* C 13 1H5* C 13 72.249 38.392 -40.413
140 2H5* C 13 2H5* C 13 72.534 40.088 -40.862
141 H4* C 13 H4* C 13 72.973 40.058 -38.599
142 H3* C 13 H3* C 13 75.094 40.708 -40.150
143 H1* C 13 H1* C 13 75.426 38.303 -37.182
144 1H4 C 13 H41 C 13 76.359 32.133 -39.362
145 2H4 C 13 H42 C 13 77.446 32.379 -38.011
146 H5 C 13 H5 C 13 74.982 33.922 -40.271
147 H6 C 13 H6 C 13 74.400 36.284 -40.074
148 1H2* C 13 1H2* C 13 76.197 38.578 -40.128
149 2H2* C 13 2H2* C 13 76.949 39.344 -38.735
150 1H5* G 14 1H5* G 14 74.319 45.424 -38.937
151 2H5* G 14 2H5* G 14 75.397 44.965 -37.605
152 H4* G 14 H4* G 14 72.871 45.512 -37.194
153 H3* G 14 H3* G 14 74.560 43.474 -35.819
154 H1* G 14 H1* G 14 70.723 43.705 -36.699
155 H8 G 14 H8 G 14 69.504 41.955 -38.226
156 H1 G 14 H1 G 14 73.017 37.268 -35.624
157 1H2 G 14 H21 G 14 74.901 39.843 -34.290
158 2H2 G 14 H22 G 14 74.681 38.116 -34.445
159 1H2* G 14 1H2* G 14 72.702 42.363 -34.938
160 2H2* G 14 2H2* G 14 71.829 43.871 -34.704
161 1H5* DFC 15 1H5* C 15 73.205 46.070 -31.446
162 2H5* DFC 15 2H5* C 15 72.951 44.978 -32.824
163 H4* DFC 15 H4* C 15 75.227 44.309 -31.089
164 H3* DFC 15 H3* C 15 73.026 44.993 -29.599
165 1H2* DFC 15 1H2* C 15 71.510 43.320 -30.311
166 2H2* DFC 15 2H2* C 15 72.385 42.363 -29.125
167 H1* DFC 15 H1* C 15 73.763 41.323 -30.728
168 1H4 DFC 15 H41 C 15 68.739 39.956 -34.835
169 2H4 DFC 15 H42 C 15 69.493 38.438 -34.396
170 H5 DFC 15 H5 C 15 69.496 42.092 -33.993
171 H6 DFC 15 H6 C 15 71.133 43.207 -32.573
172 1H5* DFG 16 1H5* G 16 74.324 41.511 -28.034
173 2H5* DFG 16 2H5* G 16 75.785 41.672 -27.039
174 H4* DFG 16 H4* G 16 75.111 40.012 -25.768
175 H3* DFG 16 H3* G 16 73.660 41.910 -24.572
176 1H2* DFG 16 1H2* G 16 71.702 41.802 -25.955
177 2H2* DFG 16 2H2* G 16 71.251 40.695 -24.668
178 H1* DFG 16 H1* G 16 71.833 38.758 -25.936
179 H8 DFG 16 H8 G 16 71.011 41.966 -27.864
180 H1 DFG 16 H1 G 16 68.767 36.556 -30.468
181 1H2 DFG 16 H21 G 16 70.577 34.960 -27.991
182 2H2 DFG 16 H22 G 16 69.507 34.814 -29.369
183 1H5* C 17 1H5* C 17 72.538 37.402 -21.425
184 2H5* C 17 2H5* C 17 72.909 37.177 -23.146
185 H4* C 17 H4* C 17 70.855 36.000 -21.584
186 H3* C 17 H3* C 17 72.238 35.134 -23.715
187 H1* C 17 H1* C 17 68.535 35.981 -24.040
188 1H4 C 17 H41 C 17 67.639 41.713 -27.198
189 2H4 C 17 H42 C 17 66.804 40.517 -28.165
190 H5 C 17 H5 C 17 69.004 41.127 -25.283
191 H6 C 17 H6 C 17 69.842 39.286 -23.919
192 1H2* C 17 1H2* C 17 71.232 36.611 -25.347
193 2H2* C 17 2H2* C 17 70.266 35.153 -25.530
194 1H5* G 18 1H5* G 18 72.372 33.125 -21.970
195 2H5* G 18 2H5* G 18 72.717 31.420 -21.617
196 H4* G 18 H4* G 18 71.505 31.537 -19.788
197 H3* G 18 H3* G 18 69.219 32.250 -21.608
198 H1* G 18 H1* G 18 70.258 33.871 -18.196
199 H8 G 18 H8 G 18 70.489 36.457 -18.259
200 H1 G 18 H1 G 18 66.075 36.780 -22.881
201 1H2 G 18 H21 G 18 66.502 33.359 -23.124
202 2H2 G 18 H22 G 18 65.694 34.794 -23.723
203 1H2* G 18 1H2* G 18 67.984 33.013 -19.732
204 2H2* G 18 2H2* G 18 68.915 32.046 -18.600
205 1H5* C 19 1H5* C 19 65.692 29.589 -18.935
206 2H5* C 19 2H5* C 19 65.936 28.577 -20.373
207 H4* C 19 H4* C 19 63.727 29.347 -20.487
208 H3* C 19 H3* C 19 65.293 29.848 -22.610
209 H1* C 19 H1* C 19 63.042 32.586 -21.171
210 1H4 C 19 H41 C 19 66.657 37.038 -17.872
211 2H4 C 19 H42 C 19 65.539 37.929 -18.885
212 H5 C 19 H5 C 19 66.847 34.613 -17.970
213 H6 C 19 H6 C 19 66.023 32.592 -19.063
214 1H2* C 19 1H2* C 19 65.946 32.089 -22.001
215 2H2* C 19 2H2* C 19 64.564 32.397 -23.045
216 1H5* G 20 1H5* G 20 63.837 28.096 -22.693
217 2H5* G 20 2H5* G 20 64.159 26.838 -23.904
218 H4* G 20 H4* G 20 61.877 26.317 -24.125
219 H3* G 20 H3* G 20 61.294 28.933 -22.807
220 H1* G 20 H1* G 20 60.673 25.676 -20.824
221 H8 G 20 H8 G 20 62.496 25.982 -18.842
222 H1 G 20 H1 G 20 61.233 32.266 -18.984
223 1H2 G 20 H21 G 20 59.754 31.582 -22.037
224 2H2 G 20 H22 G 20 60.177 32.793 -20.844
225 1H2* G 20 1H2* G 20 59.428 27.995 -21.623
226 2H2* G 20 2H2* G 20 59.397 26.551 -22.625
Start of MODEL 8
1 1H5* C 1 1H5* C 1 60.408 41.703 -17.804
2 2H5* C 1 2H5* C 1 59.993 39.979 -17.729
3 H4* C 1 H4* C 1 61.201 41.564 -19.959
4 H3* C 1 H3* C 1 58.652 40.859 -19.731
5 H1* C 1 H1* C 1 61.078 38.093 -21.372
6 1H4 C 1 H41 C 1 62.166 34.246 -16.121
7 2H4 C 1 H42 C 1 61.560 33.179 -17.364
8 H5 C 1 H5 C 1 62.258 36.652 -16.384
9 H6 C 1 H6 C 1 61.806 38.509 -17.896
10 H5T C 1 H5* C 1 62.624 40.311 -18.218
11 1H2* C 1 1H2* C 1 58.781 38.508 -19.495
12 2H2* C 1 2H2* C 1 58.818 38.568 -21.252
13 H3* 8MG 2 H3* G 2 59.749 39.660 -25.772
14 1H2* 8MG 2 1H2* G 2 62.074 39.911 -25.722
15 2H2* 8MG 2 2H2* G 2 62.040 41.233 -26.880
16 H1* 8MG 2 H1* G 2 62.065 42.808 -25.249
17 H4* 8MG 2 H4* G 2 59.321 42.579 -26.241
18 1H5* 8MG 2 1H5* G 2 57.547 42.466 -24.737
19 2H5* 8MG 2 2H5* G 2 57.464 40.957 -25.668
20 1HC 8MG 2 1HC CH3 2 63.208 43.953 -21.759
21 2HC 8MG 2 2HC CH3 2 61.719 43.737 -22.710
22 3HC 8MG 2 3HC CH3 2 63.251 44.116 -23.532
23 H1 8MG 2 H1 G 2 63.755 37.078 -21.789
24 1H2 8MG 2 H21 G 2 61.792 36.682 -24.614
25 2H2 8MG 2 H22 G 2 62.682 35.916 -23.314
26 1H5* C 3 1H5* C 3 61.830 39.213 -29.360
27 2H5* C 3 2H5* C 3 60.757 38.189 -30.339
28 H4* C 3 H4* C 3 62.373 36.675 -30.201
29 H3* C 3 H3* C 3 60.643 35.990 -28.247
30 H1* C 3 H1* C 3 64.405 36.123 -27.603
31 1H4 C 3 H41 C 3 66.038 41.326 -23.881
32 2H4 C 3 H42 C 3 66.677 39.910 -23.071
33 H5 C 3 H5 C 3 64.601 41.155 -25.843
34 H6 C 3 H6 C 3 63.501 39.611 -27.378
35 1H2* C 3 1H2* C 3 61.754 37.104 -26.428
36 2H2* C 3 2H2* C 3 62.452 35.493 -26.318
37 1H5* G 4 1H5* G 4 60.032 34.283 -30.018
38 2H5* G 4 2H5* G 4 59.363 32.736 -30.579
39 H4* G 4 H4* G 4 60.516 33.010 -32.435
40 H3* G 4 H3* G 4 62.703 32.272 -30.582
41 H1* G 4 H1* G 4 62.373 34.723 -33.642
42 H8 G 4 H8 G 4 62.680 37.290 -33.774
43 H1 G 4 H1 G 4 67.103 37.085 -29.142
44 1H2 G 4 H21 G 4 66.094 33.796 -28.757
45 2H2 G 4 H22 G 4 67.141 35.083 -28.202
46 1H2* G 4 1H2* G 4 64.320 33.519 -31.697
47 2H2* G 4 2H2* G 4 63.752 32.919 -33.249
48 1H5* DFC 5 1H5* C 5 65.274 29.000 -33.981
49 2H5* DFC 5 2H5* C 5 66.153 30.485 -34.398
50 H4* DFC 5 H4* C 5 66.062 28.980 -31.809
51 H3* DFC 5 H3* C 5 67.970 28.821 -33.677
52 1H2* DFC 5 1H2* C 5 68.627 31.101 -33.829
53 2H2* DFC 5 2H2* C 5 69.703 30.584 -32.540
54 H1* DFC 5 H1* C 5 68.387 31.538 -30.841
55 1H4 DFC 5 H41 C 5 66.888 37.167 -34.001
56 2H4 DFC 5 H42 C 5 68.062 37.546 -32.757
57 H5 DFC 5 H5 C 5 66.128 34.898 -34.428
58 H6 DFC 5 H6 C 5 66.358 32.560 -33.761
59 1H5* DFG 6 1H5* G 6 70.478 30.146 -30.713
60 2H5* DFG 6 2H5* G 6 71.014 28.717 -29.805
61 H4* DFG 6 H4* G 6 73.063 29.504 -29.772
62 H3* DFG 6 H3* G 6 73.152 28.436 -32.244
63 1H2* DFG 6 1H2* G 6 72.491 30.337 -33.518
64 2H2* DFG 6 2H2* G 6 74.230 30.593 -33.486
65 H1* DFG 6 H1* G 6 74.116 32.179 -31.724
66 H8 DFG 6 H8 G 6 70.934 31.582 -33.768
67 H1 DFG 6 H1 G 6 72.195 37.704 -32.337
68 1H2 DFG 6 H21 G 6 74.728 36.383 -30.378
69 2H2 DFG 6 H22 G 6 73.903 37.819 -30.956
70 1H5* C 7 1H5* C 7 78.538 30.249 -33.260
71 2H5* C 7 2H5* C 7 78.396 30.569 -31.520
72 H4* C 7 H4* C 7 79.398 32.383 -32.967
73 H3* C 7 H3* C 7 77.955 32.678 -30.635
74 H1* C 7 H1* C 7 77.670 34.831 -33.727
75 1H4 C 7 H41 C 7 71.796 34.237 -36.684
76 2H4 C 7 H42 C 7 72.004 35.949 -36.382
77 H5 C 7 H5 C 7 73.343 32.562 -35.859
78 H6 C 7 H6 C 7 75.403 32.198 -34.604
79 1H2* C 7 1H2* C 7 75.911 33.409 -31.657
80 2H2* C 7 2H2* C 7 76.737 34.950 -31.475
81 1H5* G 8 1H5* G 8 82.005 36.097 -28.590
82 2H5* G 8 2H5* G 8 81.320 36.780 -30.079
83 H4* G 8 H4* G 8 83.500 34.915 -29.704
84 H3* G 8 H3* G 8 82.556 36.689 -31.931
85 H1* G 8 H1* G 8 83.587 32.890 -31.951
86 H8 G 8 H8 G 8 82.511 31.228 -33.500
87 H1 G 8 H1 G 8 78.713 35.678 -36.100
88 1H2 G 8 H21 G 8 80.171 37.830 -33.803
89 2H2 G 8 H22 G 8 79.010 37.621 -35.100
90 1H2* G 8 1H2* G 8 83.653 35.332 -33.522
91 2H2* G 8 2H2* G 8 84.840 34.762 -32.358
92 1H5* C 9 1H5* C 9 86.402 38.658 -34.321
93 2H5* C 9 2H5* C 9 85.887 39.906 -33.167
94 H4* C 9 H4* C 9 85.092 40.651 -35.210
95 H3* C 9 H3* C 9 83.196 40.198 -33.332
96 H1* C 9 H1* C 9 82.733 39.076 -36.975
97 1H4 C 9 H41 C 9 83.100 32.467 -37.225
98 2H4 C 9 H42 C 9 81.717 32.946 -38.190
99 H5 C 9 H5 C 9 84.407 34.071 -35.944
100 H6 C 9 H6 C 9 84.639 36.424 -35.341
101 1H2* C 9 1H2* C 9 82.460 38.051 -34.107
102 2H2* C 9 2H2* C 9 81.366 39.104 -34.991
103 1H5* G 10 1H5* G 10 81.589 43.842 -37.436
104 2H5* G 10 2H5* G 10 82.653 42.549 -36.844
105 H4* G 10 H4* G 10 82.599 45.328 -35.680
106 H3* G 10 H3* G 10 84.112 44.374 -38.075
107 H1* G 10 H1* G 10 85.878 44.675 -34.627
108 H8 G 10 H8 G 10 88.049 43.347 -34.950
109 H1 G 10 H1 G 10 85.130 39.340 -39.023
110 1H2 G 10 H21 G 10 82.490 41.552 -38.811
111 2H2 G 10 H22 G 10 83.112 40.067 -39.491
112 1H2* G 10 1H2* G 10 86.126 45.408 -37.289
113 2H2* G 10 2H2* G 10 85.273 46.396 -36.112
114 1H5* C 11 1H5* C 11 81.765 33.447 -43.741
115 2H5* C 11 2H5* C 11 81.176 32.963 -42.138
116 H4* C 11 H4* C 11 79.267 34.704 -42.760
117 H3* C 11 H3* C 11 80.758 35.238 -44.960
118 H1* C 11 H1* C 11 81.018 37.395 -41.763
119 1H4 C 11 H41 C 11 87.002 36.198 -39.169
120 2H4 C 11 H42 C 11 86.495 37.777 -38.620
121 H5 C 11 H5 C 11 85.676 34.839 -40.675
122 H6 C 11 H6 C 11 83.592 34.717 -41.937
123 H5T C 11 H5* C 11 79.316 33.124 -44.222
124 1H2* C 11 1H2* C 11 82.742 36.014 -43.872
125 2H2* C 11 2H2* C 11 81.857 37.527 -44.005
126 H3* 8MG 12 H3* G 12 76.460 38.286 -42.801
127 1H2* 8MG 12 1H2* G 12 75.653 37.074 -40.949
128 2H2* 8MG 12 2H2* G 12 74.037 36.925 -41.625
129 H1* 8MG 12 H1* G 12 74.528 34.874 -42.454
130 H4* 8MG 12 H4* G 12 74.405 37.040 -44.592
131 1H5* 8MG 12 1H5* G 12 75.744 37.588 -46.251
132 2H5* 8MG 12 2H5* G 12 76.756 38.447 -45.072
133 1HC 8MG 12 1HC CH3 12 76.577 31.618 -42.577
134 2HC 8MG 12 2HC CH3 12 76.153 32.993 -43.625
135 3HC 8MG 12 3HC CH3 12 75.038 32.481 -42.336
136 H1 8MG 12 H1 G 12 80.228 36.081 -38.767
137 1H2 8MG 12 H21 G 12 78.412 38.841 -39.776
138 2H2 8MG 12 H22 G 12 79.755 38.214 -38.839
139 1H5* C 13 1H5* C 13 72.499 40.130 -39.595
140 2H5* C 13 2H5* C 13 73.355 41.546 -40.243
141 H4* C 13 H4* C 13 73.652 41.428 -37.868
142 H3* C 13 H3* C 13 75.768 41.846 -39.504
143 H1* C 13 H1* C 13 75.932 39.422 -36.567
144 1H4 C 13 H41 C 13 76.047 33.155 -38.654
145 2H4 C 13 H42 C 13 77.281 33.299 -37.424
146 H5 C 13 H5 C 13 74.795 35.059 -39.481
147 H6 C 13 H6 C 13 74.484 37.471 -39.301
148 1H2* C 13 1H2* C 13 76.575 39.577 -39.556
149 2H2* C 13 2H2* C 13 77.507 40.239 -38.221
150 1H5* G 14 1H5* G 14 75.014 44.174 -38.572
151 2H5* G 14 2H5* G 14 75.317 45.884 -38.202
152 H4* G 14 H4* G 14 73.891 45.842 -36.526
153 H3* G 14 H3* G 14 75.625 43.686 -35.450
154 H1* G 14 H1* G 14 71.718 44.178 -35.724
155 H8 G 14 H8 G 14 70.205 42.675 -37.343
156 H1 G 14 H1 G 14 73.260 37.497 -35.122
157 1H2 G 14 H21 G 14 75.526 39.774 -33.825
158 2H2 G 14 H22 G 14 75.089 38.092 -34.033
159 1H2* G 14 1H2* G 14 73.862 42.521 -34.471
160 2H2* G 14 2H2* G 14 73.121 44.016 -33.920
161 1H5* DFC 15 1H5* C 15 74.282 46.138 -30.863
162 2H5* DFC 15 2H5* C 15 73.873 45.474 -32.458
163 H4* DFC 15 H4* C 15 75.693 43.796 -30.908
164 H3* DFC 15 H3* C 15 73.313 44.730 -29.494
165 1H2* DFC 15 1H2* C 15 72.027 42.828 -29.866
166 2H2* DFC 15 2H2* C 15 73.304 41.877 -29.119
167 H1* DFC 15 H1* C 15 74.337 41.337 -31.140
168 1H4 DFC 15 H41 C 15 68.809 40.010 -34.546
169 2H4 DFC 15 H42 C 15 69.537 38.485 -34.085
170 H5 DFC 15 H5 C 15 69.736 42.154 -33.856
171 H6 DFC 15 H6 C 15 71.526 43.238 -32.600
172 1H5* DFG 16 1H5* G 16 75.011 41.490 -27.995
173 2H5* DFG 16 2H5* G 16 76.367 41.646 -26.859
174 H4* DFG 16 H4* G 16 75.725 39.817 -25.827
175 H3* DFG 16 H3* G 16 73.884 41.565 -24.755
176 1H2* DFG 16 1H2* G 16 71.961 40.981 -25.962
177 2H2* DFG 16 2H2* G 16 71.911 39.632 -24.836
178 H1* DFG 16 H1* G 16 72.874 38.114 -26.341
179 H8 DFG 16 H8 G 16 71.630 41.305 -28.147
180 H1 DFG 16 H1 G 16 69.751 35.707 -30.643
181 1H2 DFG 16 H21 G 16 71.775 34.298 -28.216
182 2H2 DFG 16 H22 G 16 70.685 34.041 -29.565
183 1H5* C 17 1H5* C 17 71.281 38.674 -22.613
184 2H5* C 17 2H5* C 17 72.574 37.691 -21.899
185 H4* C 17 H4* C 17 70.858 36.257 -21.660
186 H3* C 17 H3* C 17 72.503 35.346 -23.594
187 H1* C 17 H1* C 17 68.608 35.545 -24.309
188 1H4 C 17 H41 C 17 68.079 40.771 -28.315
189 2H4 C 17 H42 C 17 67.257 39.462 -29.131
190 H5 C 17 H5 C 17 69.319 40.461 -26.260
191 H6 C 17 H6 C 17 70.003 38.845 -24.568
192 1H2* C 17 1H2* C 17 71.328 36.007 -25.544
193 2H2* C 17 2H2* C 17 70.468 34.502 -25.241
194 1H5* G 18 1H5* G 18 70.654 30.107 -22.570
195 2H5* G 18 2H5* G 18 68.897 30.267 -22.756
196 H4* G 18 H4* G 18 70.358 30.579 -20.437
197 H3* G 18 H3* G 18 67.530 31.191 -21.170
198 H1* G 18 H1* G 18 70.106 33.236 -18.963
199 H8 G 18 H8 G 18 69.995 35.737 -18.692
200 H1 G 18 H1 G 18 65.806 36.338 -23.500
201 1H2 G 18 H21 G 18 66.026 32.895 -23.727
202 2H2 G 18 H22 G 18 65.338 34.375 -24.362
203 1H2* G 18 1H2* G 18 67.273 32.671 -19.360
204 2H2* G 18 2H2* G 18 68.438 31.802 -18.371
205 1H5* C 19 1H5* C 19 64.031 29.872 -18.345
206 2H5* C 19 2H5* C 19 64.251 28.509 -19.463
207 H4* C 19 H4* C 19 62.458 29.642 -20.362
208 H3* C 19 H3* C 19 64.616 29.552 -21.976
209 H1* C 19 H1* C 19 62.654 32.825 -21.486
210 1H4 C 19 H41 C 19 66.342 36.957 -17.853
211 2H4 C 19 H42 C 19 65.554 37.905 -19.099
212 H5 C 19 H5 C 19 66.131 34.534 -17.733
213 H6 C 19 H6 C 19 65.134 32.567 -18.779
214 1H2* C 19 1H2* C 19 65.506 31.728 -21.486
215 2H2* C 19 2H2* C 19 64.483 32.098 -22.867
216 1H5* G 20 1H5* G 20 62.749 28.017 -22.367
217 2H5* G 20 2H5* G 20 62.903 26.554 -23.361
218 H4* G 20 H4* G 20 60.669 26.752 -24.144
219 H3* G 20 H3* G 20 60.699 29.521 -23.033
220 H1* G 20 H1* G 20 58.666 26.781 -21.197
221 H8 G 20 H8 G 20 60.287 26.612 -18.942
222 H1 G 20 H1 G 20 60.475 33.018 -19.129
223 1H2 G 20 H21 G 20 59.353 32.656 -22.376
224 2H2 G 20 H22 G 20 59.845 33.748 -21.100
225 1H2* G 20 1H2* G 20 58.441 29.316 -22.253
226 2H2* G 20 2H2* G 20 58.137 27.881 -23.223
Start of MODEL 9
1 1H5* C 1 1H5* C 1 59.386 41.699 -19.773
2 2H5* C 1 2H5* C 1 60.647 40.678 -19.056
3 H4* C 1 H4* C 1 60.574 40.805 -22.004
4 H3* C 1 H3* C 1 58.081 40.472 -21.045
5 H1* C 1 H1* C 1 60.324 37.423 -21.750
6 1H4 C 1 H41 C 1 62.401 34.901 -16.003
7 2H4 C 1 H42 C 1 61.744 33.558 -16.910
8 H5 C 1 H5 C 1 62.274 37.194 -16.775
9 H6 C 1 H6 C 1 61.493 38.655 -18.564
10 H5T C 1 H5* C 1 62.079 41.825 -20.640
11 1H2* C 1 1H2* C 1 58.515 38.608 -19.592
12 2H2* C 1 2H2* C 1 58.044 37.775 -21.067
13 H3* 8MG 2 H3* G 2 59.418 40.162 -26.170
14 1H2* 8MG 2 1H2* G 2 61.714 40.021 -25.793
15 2H2* 8MG 2 2H2* G 2 62.044 41.288 -26.965
16 H1* 8MG 2 H1* G 2 62.091 42.944 -25.408
17 H4* 8MG 2 H4* G 2 59.471 43.129 -26.413
18 1H5* 8MG 2 1H5* G 2 57.527 43.175 -25.285
19 2H5* 8MG 2 2H5* G 2 57.436 41.513 -25.899
20 1HC 8MG 2 1HC CH3 2 61.648 43.818 -22.752
21 2HC 8MG 2 2HC CH3 2 63.144 44.230 -23.622
22 3HC 8MG 2 3HC CH3 2 63.171 44.021 -21.855
23 H1 8MG 2 H1 G 2 63.391 37.143 -21.911
24 1H2 8MG 2 H21 G 2 61.415 36.861 -24.739
25 2H2 8MG 2 H22 G 2 62.245 36.036 -23.436
26 1H5* C 3 1H5* C 3 62.729 39.153 -30.124
27 2H5* C 3 2H5* C 3 61.131 38.570 -30.632
28 H4* C 3 H4* C 3 62.273 36.617 -30.235
29 H3* C 3 H3* C 3 60.172 36.979 -28.585
30 H1* C 3 H1* C 3 63.585 35.828 -27.184
31 1H4 C 3 H41 C 3 66.111 40.953 -23.826
32 2H4 C 3 H42 C 3 66.667 39.480 -23.059
33 H5 C 3 H5 C 3 64.590 40.940 -25.719
34 H6 C 3 H6 C 3 63.294 39.524 -27.225
35 1H2* C 3 1H2* C 3 61.349 37.848 -26.688
36 2H2* C 3 2H2* C 3 61.369 36.129 -26.318
37 1H5* G 4 1H5* G 4 60.813 31.788 -30.551
38 2H5* G 4 2H5* G 4 61.856 32.961 -29.720
39 H4* G 4 H4* G 4 61.292 32.648 -32.650
40 H3* G 4 H3* G 4 63.730 32.440 -30.956
41 H1* G 4 H1* G 4 62.690 34.887 -33.890
42 H8 G 4 H8 G 4 62.843 37.428 -33.946
43 H1 G 4 H1 G 4 66.805 37.495 -28.911
44 1H2 G 4 H21 G 4 66.190 34.085 -28.783
45 2H2 G 4 H22 G 4 67.013 35.456 -28.072
46 1H2* G 4 1H2* G 4 64.988 33.849 -32.330
47 2H2* G 4 2H2* G 4 64.235 33.210 -33.785
48 1H5* DFC 5 1H5* C 5 66.321 28.416 -32.616
49 2H5* DFC 5 2H5* C 5 66.957 29.098 -34.127
50 H4* DFC 5 H4* C 5 67.891 29.423 -31.452
51 H3* DFC 5 H3* C 5 68.910 30.013 -34.166
52 1H2* DFC 5 1H2* C 5 69.830 32.071 -33.584
53 2H2* DFC 5 2H2* C 5 70.519 31.380 -32.121
54 H1* DFC 5 H1* C 5 68.771 32.019 -30.778
55 1H4 DFC 5 H41 C 5 66.996 37.746 -33.595
56 2H4 DFC 5 H42 C 5 68.003 38.132 -32.214
57 H5 DFC 5 H5 C 5 66.559 35.458 -34.292
58 H6 DFC 5 H6 C 5 67.016 33.108 -33.818
59 1H5* DFG 6 1H5* G 6 71.668 29.978 -31.246
60 2H5* DFG 6 2H5* G 6 72.034 28.313 -30.752
61 H4* DFG 6 H4* G 6 73.988 28.986 -29.998
62 H3* DFG 6 H3* G 6 74.714 28.604 -32.527
63 1H2* DFG 6 1H2* G 6 74.176 30.726 -33.468
64 2H2* DFG 6 2H2* G 6 75.834 31.043 -32.978
65 H1* DFG 6 H1* G 6 75.205 32.261 -31.074
66 H8 DFG 6 H8 G 6 72.205 31.627 -33.417
67 H1 DFG 6 H1 G 6 72.889 37.642 -31.314
68 1H2 DFG 6 H21 G 6 75.500 36.369 -29.437
69 2H2 DFG 6 H22 G 6 74.543 37.766 -29.885
70 1H5* C 7 1H5* C 7 79.736 30.743 -32.976
71 2H5* C 7 2H5* C 7 79.787 31.040 -31.226
72 H4* C 7 H4* C 7 80.399 32.987 -32.621
73 H3* C 7 H3* C 7 78.935 33.093 -30.292
74 H1* C 7 H1* C 7 78.342 35.150 -33.389
75 1H4 C 7 H41 C 7 72.626 33.732 -36.377
76 2H4 C 7 H42 C 7 72.567 35.449 -36.050
77 H5 C 7 H5 C 7 74.407 32.300 -35.574
78 H6 C 7 H6 C 7 76.501 32.233 -34.326
79 1H2* C 7 1H2* C 7 76.800 33.479 -31.329
80 2H2* C 7 2H2* C 7 77.372 35.131 -31.138
81 1H5* G 8 1H5* G 8 83.169 36.835 -29.926
82 2H5* G 8 2H5* G 8 81.952 36.603 -31.199
83 H4* G 8 H4* G 8 84.354 34.914 -30.544
84 H3* G 8 H3* G 8 83.568 36.579 -32.903
85 H1* G 8 H1* G 8 84.027 32.664 -32.636
86 H8 G 8 H8 G 8 82.789 31.100 -34.154
87 H1 G 8 H1 G 8 78.924 35.750 -36.264
88 1H2 G 8 H21 G 8 80.745 37.805 -34.164
89 2H2 G 8 H22 G 8 79.422 37.657 -35.304
90 1H2* G 8 1H2* G 8 84.316 34.931 -34.416
91 2H2* G 8 2H2* G 8 85.491 34.288 -33.280
92 1H5* C 9 1H5* C 9 86.864 38.636 -35.480
93 2H5* C 9 2H5* C 9 86.495 39.821 -34.209
94 H4* C 9 H4* C 9 85.411 40.590 -36.133
95 H3* C 9 H3* C 9 83.868 40.166 -33.951
96 H1* C 9 H1* C 9 82.761 39.048 -37.452
97 1H4 C 9 H41 C 9 82.989 32.436 -37.753
98 2H4 C 9 H42 C 9 81.544 32.948 -38.599
99 H5 C 9 H5 C 9 84.444 33.997 -36.594
100 H6 C 9 H6 C 9 84.790 36.340 -36.008
101 1H2* C 9 1H2* C 9 82.980 38.025 -34.578
102 2H2* C 9 2H2* C 9 81.761 39.094 -35.259
103 1H5* G 10 1H5* G 10 84.750 42.251 -34.482
104 2H5* G 10 2H5* G 10 84.856 43.540 -33.266
105 H4* G 10 H4* G 10 84.477 45.223 -34.921
106 H3* G 10 H3* G 10 83.774 42.985 -36.773
107 H1* G 10 H1* G 10 87.163 44.785 -37.219
108 H8 G 10 H8 G 10 88.769 42.642 -36.468
109 H1 G 10 H1 G 10 84.774 38.986 -39.901
110 1H2 G 10 H21 G 10 82.637 41.704 -39.725
111 2H2 G 10 H22 G 10 82.895 40.069 -40.294
112 1H2* G 10 1H2* G 10 84.891 44.074 -38.601
113 2H2* G 10 2H2* G 10 84.999 45.606 -37.744
114 1H5* C 11 1H5* C 11 79.936 33.781 -44.961
115 2H5* C 11 2H5* C 11 80.873 33.387 -43.506
116 H4* C 11 H4* C 11 78.373 34.824 -42.993
117 H3* C 11 H3* C 11 79.520 35.911 -45.178
118 H1* C 11 H1* C 11 80.368 37.187 -41.659
119 1H4 C 11 H41 C 11 86.482 35.231 -40.055
120 2H4 C 11 H42 C 11 86.355 36.913 -39.590
121 H5 C 11 H5 C 11 84.718 34.059 -41.234
122 H6 C 11 H6 C 11 82.485 34.263 -42.193
123 H5T C 11 H5* C 11 78.717 32.663 -42.662
124 1H2* C 11 1H2* C 11 81.710 36.281 -44.255
125 2H2* C 11 2H2* C 11 80.938 37.825 -43.917
126 H3* 8MG 12 H3* G 12 75.661 38.049 -42.725
127 1H2* 8MG 12 1H2* G 12 75.445 36.766 -40.773
128 2H2* 8MG 12 2H2* G 12 73.720 36.525 -41.017
129 H1* 8MG 12 H1* G 12 74.024 34.538 -42.054
130 H4* 8MG 12 H4* G 12 73.443 36.527 -44.046
131 1H5* 8MG 12 1H5* G 12 74.547 36.738 -46.026
132 2H5* 8MG 12 2H5* G 12 75.044 38.227 -45.198
133 1HC 8MG 12 1HC CH3 12 74.600 32.186 -42.310
134 2HC 8MG 12 2HC CH3 12 76.120 31.322 -42.638
135 3HC 8MG 12 3HC CH3 12 75.691 32.761 -43.594
136 H1 8MG 12 H1 G 12 80.062 35.619 -38.939
137 1H2 8MG 12 H21 G 12 78.126 38.401 -39.627
138 2H2 8MG 12 H22 G 12 79.565 37.756 -38.865
139 1H5* C 13 1H5* C 13 72.225 39.819 -38.741
140 2H5* C 13 2H5* C 13 72.916 41.181 -39.645
141 H4* C 13 H4* C 13 73.829 41.168 -37.440
142 H3* C 13 H3* C 13 75.462 41.340 -39.600
143 H1* C 13 H1* C 13 76.259 39.066 -36.614
144 1H4 C 13 H41 C 13 75.609 32.758 -38.528
145 2H4 C 13 H42 C 13 77.011 32.852 -37.480
146 H5 C 13 H5 C 13 74.343 34.730 -39.183
147 H6 C 13 H6 C 13 74.198 37.158 -38.994
148 1H2* C 13 1H2* C 13 76.174 39.053 -39.672
149 2H2* C 13 2H2* C 13 77.410 39.737 -38.625
150 1H5* G 14 1H5* G 14 76.016 45.115 -35.714
151 2H5* G 14 2H5* G 14 75.947 43.339 -35.725
152 H4* G 14 H4* G 14 73.706 45.210 -36.489
153 H3* G 14 H3* G 14 74.414 44.129 -33.859
154 H1* G 14 H1* G 14 71.497 43.608 -36.375
155 H8 G 14 H8 G 14 69.959 41.804 -37.162
156 H1 G 14 H1 G 14 73.552 37.162 -34.603
157 1H2 G 14 H21 G 14 75.580 39.762 -33.524
158 2H2 G 14 H22 G 14 75.321 38.033 -33.583
159 1H2* G 14 1H2* G 14 72.695 42.569 -33.788
160 2H2* G 14 2H2* G 14 71.548 43.875 -34.049
161 1H5* DFC 15 1H5* C 15 74.283 46.380 -29.980
162 2H5* DFC 15 2H5* C 15 72.820 45.388 -30.151
163 H4* DFC 15 H4* C 15 75.681 44.551 -29.880
164 H3* DFC 15 H3* C 15 73.730 44.603 -27.979
165 1H2* DFC 15 1H2* C 15 72.262 42.975 -28.931
166 2H2* DFC 15 2H2* C 15 73.307 41.921 -27.987
167 H1* DFC 15 H1* C 15 74.697 41.385 -29.865
168 1H4 DFC 15 H41 C 15 69.587 39.761 -33.757
169 2H4 DFC 15 H42 C 15 70.397 38.280 -33.291
170 H5 DFC 15 H5 C 15 70.276 41.934 -32.943
171 H6 DFC 15 H6 C 15 71.879 43.120 -31.541
172 1H5* DFG 16 1H5* G 16 73.554 43.073 -24.394
173 2H5* DFG 16 2H5* G 16 73.567 43.002 -26.169
174 H4* DFG 16 H4* G 16 75.317 41.008 -25.055
175 H3* DFG 16 H3* G 16 73.335 41.229 -23.232
176 1H2* DFG 16 1H2* G 16 71.483 40.930 -24.745
177 2H2* DFG 16 2H2* G 16 71.750 39.279 -24.198
178 H1* DFG 16 H1* G 16 73.124 38.741 -26.120
179 H8 DFG 16 H8 G 16 71.120 41.916 -27.129
180 H1 DFG 16 H1 G 16 69.776 36.519 -30.319
181 1H2 DFG 16 H21 G 16 72.090 35.067 -28.198
182 2H2 DFG 16 H22 G 16 70.950 34.850 -29.508
183 1H5* C 17 1H5* C 17 70.955 38.048 -21.323
184 2H5* C 17 2H5* C 17 72.102 36.713 -21.089
185 H4* C 17 H4* C 17 70.152 35.670 -21.759
186 H3* C 17 H3* C 17 72.284 35.396 -23.499
187 H1* C 17 H1* C 17 68.651 35.749 -24.423
188 1H4 C 17 H41 C 17 67.375 41.344 -27.702
189 2H4 C 17 H42 C 17 66.702 40.052 -28.670
190 H5 C 17 H5 C 17 68.699 40.940 -25.708
191 H6 C 17 H6 C 17 69.622 39.221 -24.243
192 1H2* C 17 1H2* C 17 71.412 36.826 -25.220
193 2H2* C 17 2H2* C 17 70.699 35.290 -25.692
194 1H5* G 18 1H5* G 18 70.632 30.004 -22.523
195 2H5* G 18 2H5* G 18 69.578 31.321 -23.077
196 H4* G 18 H4* G 18 70.315 30.463 -20.339
197 H3* G 18 H3* G 18 67.810 31.395 -21.696
198 H1* G 18 H1* G 18 69.606 33.002 -18.587
199 H8 G 18 H8 G 18 69.767 35.521 -18.477
200 H1 G 18 H1 G 18 65.686 36.238 -23.356
201 1H2 G 18 H21 G 18 65.822 32.786 -23.594
202 2H2 G 18 H22 G 18 65.176 34.284 -24.230
203 1H2* G 18 1H2* G 18 67.029 32.363 -19.675
204 2H2* G 18 2H2* G 18 68.038 31.327 -18.677
205 1H5* C 19 1H5* C 19 64.098 29.466 -19.036
206 2H5* C 19 2H5* C 19 64.306 28.237 -20.302
207 H4* C 19 H4* C 19 62.277 29.244 -20.799
208 H3* C 19 H3* C 19 64.141 29.400 -22.734
209 H1* C 19 H1* C 19 62.061 32.485 -21.772
210 1H4 C 19 H41 C 19 65.865 36.713 -18.397
211 2H4 C 19 H42 C 19 65.018 37.653 -19.605
212 H5 C 19 H5 C 19 65.711 34.294 -18.279
213 H6 C 19 H6 C 19 64.727 32.309 -19.297
214 1H2* C 19 1H2* C 19 64.953 31.610 -22.242
215 2H2* C 19 2H2* C 19 63.720 31.965 -23.444
216 1H5* G 20 1H5* G 20 58.699 29.591 -24.236
217 2H5* G 20 2H5* G 20 59.971 29.953 -23.050
218 H4* G 20 H4* G 20 58.865 27.195 -23.564
219 H3* G 20 H3* G 20 57.855 29.286 -21.671
220 H1* G 20 H1* G 20 59.985 26.237 -20.501
221 H8 G 20 H8 G 20 61.054 26.745 -18.275
222 H1 G 20 H1 G 20 60.312 33.061 -19.071
223 1H2 G 20 H21 G 20 58.690 32.182 -22.002
224 2H2 G 20 H22 G 20 59.242 33.472 -20.954
225 1H2* G 20 1H2* G 20 57.638 27.655 -19.933
226 2H2* G 20 2H2* G 20 57.718 26.305 -21.057
Start of MODEL 10
1 1H5* C 1 1H5* C 1 59.101 41.849 -20.194
2 2H5* C 1 2H5* C 1 60.025 40.672 -19.240
3 H4* C 1 H4* C 1 60.690 40.957 -22.118
4 H3* C 1 H3* C 1 58.032 40.676 -21.734
5 H1* C 1 H1* C 1 60.306 37.627 -22.192
6 1H4 C 1 H41 C 1 60.938 34.458 -16.415
7 2H4 C 1 H42 C 1 60.649 33.235 -17.631
8 H5 C 1 H5 C 1 60.882 36.833 -16.906
9 H6 C 1 H6 C 1 60.551 38.500 -18.656
10 H5T C 1 H5* C 1 61.908 41.761 -20.421
11 1H2* C 1 1H2* C 1 58.106 38.704 -20.358
12 2H2* C 1 2H2* C 1 57.930 37.992 -21.957
13 H3* 8MG 2 H3* G 2 59.773 40.099 -25.829
14 1H2* 8MG 2 1H2* G 2 62.084 40.002 -25.523
15 2H2* 8MG 2 2H2* G 2 62.366 41.226 -26.754
16 H1* 8MG 2 H1* G 2 62.514 42.903 -25.262
17 H4* 8MG 2 H4* G 2 59.728 43.025 -26.323
18 1H5* 8MG 2 1H5* G 2 58.410 42.223 -23.889
19 2H5* 8MG 2 2H5* G 2 57.748 42.975 -25.354
20 1HC 8MG 2 1HC CH3 2 61.896 43.946 -22.700
21 2HC 8MG 2 2HC CH3 2 63.491 44.264 -23.421
22 3HC 8MG 2 3HC CH3 2 63.321 44.141 -21.654
23 H1 8MG 2 H1 G 2 63.525 37.251 -21.473
24 1H2 8MG 2 H21 G 2 61.848 36.866 -24.476
25 2H2 8MG 2 H22 G 2 62.565 36.094 -23.076
26 1H5* C 3 1H5* C 3 62.743 38.908 -30.250
27 2H5* C 3 2H5* C 3 61.091 38.277 -30.428
28 H4* C 3 H4* C 3 62.515 36.421 -30.112
29 H3* C 3 H3* C 3 60.379 36.692 -28.489
30 H1* C 3 H1* C 3 63.822 35.760 -27.079
31 1H4 C 3 H41 C 3 66.244 40.949 -23.757
32 2H4 C 3 H42 C 3 66.739 39.502 -22.907
33 H5 C 3 H5 C 3 64.793 40.891 -25.700
34 H6 C 3 H6 C 3 63.531 39.445 -27.202
35 1H2* C 3 1H2* C 3 61.504 37.703 -26.620
36 2H2* C 3 2H2* C 3 61.592 36.002 -26.184
37 1H5* G 4 1H5* G 4 61.159 31.460 -30.343
38 2H5* G 4 2H5* G 4 62.164 32.621 -29.452
39 H4* G 4 H4* G 4 61.464 32.624 -32.382
40 H3* G 4 H3* G 4 63.893 31.836 -30.911
41 H1* G 4 H1* G 4 62.965 34.642 -33.467
42 H8 G 4 H8 G 4 63.337 37.107 -33.751
43 H1 G 4 H1 G 4 67.049 37.440 -28.539
44 1H2 G 4 H21 G 4 66.295 34.085 -28.176
45 2H2 G 4 H22 G 4 67.136 35.481 -27.534
46 1H2* G 4 1H2* G 4 65.219 33.533 -31.784
47 2H2* G 4 2H2* G 4 64.703 33.094 -33.405
48 1H5* DFC 5 1H5* C 5 66.201 28.316 -32.674
49 2H5* DFC 5 2H5* C 5 66.442 29.952 -33.327
50 H4* DFC 5 H4* C 5 67.469 28.796 -30.743
51 H3* DFC 5 H3* C 5 68.744 28.711 -33.145
52 1H2* DFC 5 1H2* C 5 68.967 31.050 -33.539
53 2H2* DFC 5 2H2* C 5 70.426 30.779 -32.595
54 H1* DFC 5 H1* C 5 69.439 31.525 -30.565
55 1H4 DFC 5 H41 C 5 67.125 37.075 -33.360
56 2H4 DFC 5 H42 C 5 68.136 37.522 -32.001
57 H5 DFC 5 H5 C 5 66.716 34.759 -33.973
58 H6 DFC 5 H6 C 5 67.201 32.435 -33.411
59 1H5* DFG 6 1H5* G 6 72.498 28.153 -33.834
60 2H5* DFG 6 2H5* G 6 71.465 29.191 -32.831
61 H4* DFG 6 H4* G 6 73.743 28.331 -31.322
62 H3* DFG 6 H3* G 6 74.688 28.374 -33.822
63 1H2* DFG 6 1H2* G 6 74.003 30.546 -34.508
64 2H2* DFG 6 2H2* G 6 75.567 30.948 -33.815
65 H1* DFG 6 H1* G 6 74.647 31.766 -31.810
66 H8 DFG 6 H8 G 6 71.712 31.191 -34.274
67 H1 DFG 6 H1 G 6 72.385 37.147 -31.994
68 1H2 DFG 6 H21 G 6 75.046 35.832 -30.212
69 2H2 DFG 6 H22 G 6 74.074 37.237 -30.596
70 1H5* C 7 1H5* C 7 79.542 30.913 -33.363
71 2H5* C 7 2H5* C 7 79.341 31.027 -31.602
72 H4* C 7 H4* C 7 79.959 33.148 -32.753
73 H3* C 7 H3* C 7 78.268 32.901 -30.583
74 H1* C 7 H1* C 7 77.842 35.233 -33.512
75 1H4 C 7 H41 C 7 72.514 33.821 -37.159
76 2H4 C 7 H42 C 7 72.320 35.486 -36.664
77 H5 C 7 H5 C 7 74.318 32.412 -36.344
78 H6 C 7 H6 C 7 76.296 32.333 -34.916
79 1H2* C 7 1H2* C 7 76.225 33.280 -31.783
80 2H2* C 7 2H2* C 7 76.669 34.934 -31.383
81 1H5* G 8 1H5* G 8 82.113 36.873 -29.416
82 2H5* G 8 2H5* G 8 81.161 36.605 -30.891
83 H4* G 8 H4* G 8 83.787 35.435 -30.064
84 H3* G 8 H3* G 8 82.813 36.969 -32.437
85 H1* G 8 H1* G 8 83.985 33.215 -32.530
86 H8 G 8 H8 G 8 82.709 31.711 -34.077
87 H1 G 8 H1 G 8 78.899 36.476 -36.027
88 1H2 G 8 H21 G 8 80.641 38.412 -33.759
89 2H2 G 8 H22 G 8 79.370 38.328 -34.959
90 1H2* G 8 1H2* G 8 84.153 35.676 -33.917
91 2H2* G 8 2H2* G 8 85.234 35.150 -32.634
92 1H5* C 9 1H5* C 9 86.962 38.582 -34.710
93 2H5* C 9 2H5* C 9 86.527 39.964 -33.682
94 H4* C 9 H4* C 9 86.095 40.604 -35.907
95 H3* C 9 H3* C 9 84.079 40.792 -34.099
96 H1* C 9 H1* C 9 83.534 39.445 -37.628
97 1H4 C 9 H41 C 9 82.410 32.938 -37.541
98 2H4 C 9 H42 C 9 81.090 33.646 -38.445
99 H5 C 9 H5 C 9 84.083 34.276 -36.394
100 H6 C 9 H6 C 9 84.818 36.548 -35.893
101 1H2* C 9 1H2* C 9 82.912 38.783 -34.705
102 2H2* C 9 2H2* C 9 82.107 39.955 -35.739
103 1H5* G 10 1H5* G 10 82.963 44.012 -38.702
104 2H5* G 10 2H5* G 10 83.694 42.556 -37.994
105 H4* G 10 H4* G 10 84.821 45.336 -37.687
106 H3* G 10 H3* G 10 85.302 43.371 -39.893
107 H1* G 10 H1* G 10 87.865 43.894 -37.009
108 H8 G 10 H8 G 10 89.334 41.854 -36.844
109 H1 G 10 H1 G 10 85.107 38.233 -40.023
110 1H2 G 10 H21 G 10 83.277 41.153 -40.305
111 2H2 G 10 H22 G 10 83.373 39.442 -40.649
112 1H2* G 10 1H2* G 10 87.661 43.772 -39.789
113 2H2* G 10 2H2* G 10 87.465 45.258 -38.870
114 1H5* C 11 1H5* C 11 80.407 32.813 -45.157
115 2H5* C 11 2H5* C 11 81.752 33.814 -44.577
116 H4* C 11 H4* C 11 78.834 33.971 -43.937
117 H3* C 11 H3* C 11 80.139 35.487 -45.681
118 H1* C 11 H1* C 11 80.213 36.732 -41.881
119 1H4 C 11 H41 C 11 86.129 34.607 -39.868
120 2H4 C 11 H42 C 11 86.115 36.323 -39.535
121 H5 C 11 H5 C 11 84.353 33.483 -41.066
122 H6 C 11 H6 C 11 82.204 33.773 -42.178
123 H5T C 11 H5* C 11 80.565 32.668 -42.481
124 1H2* C 11 1H2* C 11 81.901 36.354 -44.346
125 2H2* C 11 2H2* C 11 80.687 37.577 -44.000
126 H3* 8MG 12 H3* G 12 76.974 38.739 -41.468
127 1H2* 8MG 12 1H2* G 12 75.015 37.714 -40.546
128 2H2* 8MG 12 2H2* G 12 73.965 38.338 -41.807
129 H1* 8MG 12 H1* G 12 74.317 36.253 -42.767
130 H4* 8MG 12 H4* G 12 75.569 39.324 -44.036
131 1H5* 8MG 12 1H5* G 12 77.917 39.887 -43.852
132 2H5* 8MG 12 2H5* G 12 78.313 38.200 -43.461
133 1HC 8MG 12 1HC CH3 12 75.571 34.322 -44.026
134 2HC 8MG 12 2HC CH3 12 74.355 33.847 -42.816
135 3HC 8MG 12 3HC CH3 12 75.726 32.768 -43.173
136 H1 8MG 12 H1 G 12 79.926 35.968 -38.697
137 1H2 8MG 12 H21 G 12 78.563 39.102 -39.288
138 2H2 8MG 12 H22 G 12 79.782 38.163 -38.454
139 1H5* C 13 1H5* C 13 72.003 40.228 -39.122
140 2H5* C 13 2H5* C 13 72.723 41.755 -39.674
141 H4* C 13 H4* C 13 73.174 41.470 -37.349
142 H3* C 13 H3* C 13 75.192 42.082 -39.072
143 H1* C 13 H1* C 13 75.560 39.520 -36.264
144 1H4 C 13 H41 C 13 75.989 33.400 -38.722
145 2H4 C 13 H42 C 13 77.346 33.595 -37.631
146 H5 C 13 H5 C 13 74.502 35.239 -39.288
147 H6 C 13 H6 C 13 74.024 37.599 -38.915
148 1H2* C 13 1H2* C 13 76.138 39.882 -39.250
149 2H2* C 13 2H2* C 13 77.053 40.520 -37.891
150 1H5* G 14 1H5* G 14 73.851 44.085 -37.862
151 2H5* G 14 2H5* G 14 73.829 45.821 -37.495
152 H4* G 14 H4* G 14 72.827 45.536 -35.513
153 H3* G 14 H3* G 14 74.547 43.118 -35.110
154 H1* G 14 H1* G 14 70.616 43.455 -34.907
155 H8 G 14 H8 G 14 69.561 41.985 -37.012
156 H1 G 14 H1 G 14 73.244 37.164 -34.947
157 1H2 G 14 H21 G 14 74.895 39.626 -33.146
158 2H2 G 14 H22 G 14 74.797 37.928 -33.566
159 1H2* G 14 1H2* G 14 72.900 42.086 -33.769
160 2H2* G 14 2H2* G 14 72.204 43.624 -33.276
161 1H5* DFC 15 1H5* C 15 74.743 45.718 -30.306
162 2H5* DFC 15 2H5* C 15 73.859 44.990 -31.664
163 H4* DFC 15 H4* C 15 75.764 43.343 -30.053
164 H3* DFC 15 H3* C 15 73.310 44.462 -28.928
165 1H2* DFC 15 1H2* C 15 72.024 42.533 -29.137
166 2H2* DFC 15 2H2* C 15 73.250 41.662 -28.227
167 H1* DFC 15 H1* C 15 74.365 40.880 -30.112
168 1H4 DFC 15 H41 C 15 68.994 39.363 -33.697
169 2H4 DFC 15 H42 C 15 69.873 37.884 -33.381
170 H5 DFC 15 H5 C 15 69.712 41.516 -32.835
171 H6 DFC 15 H6 C 15 71.411 42.667 -31.514
172 1H5* DFG 16 1H5* G 16 74.924 41.372 -27.125
173 2H5* DFG 16 2H5* G 16 76.279 41.582 -25.997
174 H4* DFG 16 H4* G 16 75.657 39.773 -24.917
175 H3* DFG 16 H3* G 16 73.960 41.488 -23.723
176 1H2* DFG 16 1H2* G 16 72.105 41.225 -25.230
177 2H2* DFG 16 2H2* G 16 71.709 40.037 -23.998
178 H1* DFG 16 H1* G 16 72.654 38.218 -25.267
179 H8 DFG 16 H8 G 16 71.488 41.305 -27.254
180 H1 DFG 16 H1 G 16 69.740 35.625 -29.649
181 1H2 DFG 16 H21 G 16 71.687 34.300 -27.116
182 2H2 DFG 16 H22 G 16 70.644 33.999 -28.491
183 1H5* C 17 1H5* C 17 70.935 38.130 -20.481
184 2H5* C 17 2H5* C 17 72.222 36.917 -20.631
185 H4* C 17 H4* C 17 69.999 35.966 -20.937
186 H3* C 17 H3* C 17 72.150 35.343 -22.541
187 H1* C 17 H1* C 17 68.577 35.799 -23.702
188 1H4 C 17 H41 C 17 67.884 41.087 -27.602
189 2H4 C 17 H42 C 17 67.188 39.747 -28.484
190 H5 C 17 H5 C 17 69.057 40.809 -25.497
191 H6 C 17 H6 C 17 69.776 39.195 -23.814
192 1H2* C 17 1H2* C 17 71.440 36.582 -24.469
193 2H2* C 17 2H2* C 17 70.637 35.046 -24.769
194 1H5* G 18 1H5* G 18 70.629 30.032 -21.052
195 2H5* G 18 2H5* G 18 69.458 31.043 -21.924
196 H4* G 18 H4* G 18 70.182 30.971 -19.058
197 H3* G 18 H3* G 18 67.659 31.245 -20.632
198 H1* G 18 H1* G 18 69.334 33.484 -17.839
199 H8 G 18 H8 G 18 69.409 35.998 -17.742
200 H1 G 18 H1 G 18 65.705 36.576 -22.936
201 1H2 G 18 H21 G 18 65.833 33.124 -23.046
202 2H2 G 18 H22 G 18 65.242 34.606 -23.772
203 1H2* G 18 1H2* G 18 66.768 32.808 -19.131
204 2H2* G 18 2H2* G 18 67.556 32.052 -17.755
205 1H5* C 19 1H5* C 19 63.807 29.801 -18.238
206 2H5* C 19 2H5* C 19 64.164 28.448 -19.331
207 H4* C 19 H4* C 19 62.367 29.445 -20.347
208 H3* C 19 H3* C 19 64.609 29.557 -21.841
209 H1* C 19 H1* C 19 62.357 32.640 -21.437
210 1H4 C 19 H41 C 19 65.397 37.024 -17.519
211 2H4 C 19 H42 C 19 64.741 37.917 -18.874
212 H5 C 19 H5 C 19 65.286 34.603 -17.376
213 H6 C 19 H6 C 19 64.528 32.573 -18.497
214 1H2* C 19 1H2* C 19 65.287 31.785 -21.248
215 2H2* C 19 2H2* C 19 64.342 32.098 -22.697
216 1H5* G 20 1H5* G 20 60.172 29.859 -25.801
217 2H5* G 20 2H5* G 20 60.400 30.411 -24.128
218 H4* G 20 H4* G 20 60.086 27.591 -25.142
219 H3* G 20 H3* G 20 58.328 29.392 -23.519
220 H1* G 20 H1* G 20 60.186 26.317 -21.993
221 H8 G 20 H8 G 20 60.187 26.569 -19.466
222 H1 G 20 H1 G 20 59.859 32.958 -19.906
223 1H2 G 20 H21 G 20 59.493 32.390 -23.296
224 2H2 G 20 H22 G 20 59.596 33.564 -22.003
225 1H2* G 20 1H2* G 20 57.683 27.567 -22.115
226 2H2* G 20 2H2* G 20 58.235 26.360 -23.267
Start of MODEL 11
1 1H5* C 1 1H5* C 1 62.716 40.803 -20.193
2 2H5* C 1 2H5* C 1 61.312 41.882 -20.293
3 H4* C 1 H4* C 1 60.917 40.188 -21.847
4 H3* C 1 H3* C 1 59.024 40.554 -19.980
5 H1* C 1 H1* C 1 60.272 36.977 -20.769
6 1H4 C 1 H41 C 1 63.980 35.075 -15.615
7 2H4 C 1 H42 C 1 63.246 33.643 -16.307
8 H5 C 1 H5 C 1 63.530 37.308 -16.457
9 H6 C 1 H6 C 1 62.298 38.599 -18.120
10 H5T C 1 H5* C 1 60.790 41.391 -18.320
11 1H2* C 1 1H2* C 1 59.714 38.857 -18.429
12 2H2* C 1 2H2* C 1 58.562 37.958 -19.406
13 H3* 8MG 2 H3* G 2 59.468 38.937 -25.557
14 1H2* 8MG 2 1H2* G 2 61.644 39.497 -26.262
15 2H2* 8MG 2 2H2* G 2 61.072 40.726 -27.380
16 H1* 8MG 2 H1* G 2 61.430 42.341 -25.815
17 H4* 8MG 2 H4* G 2 58.455 41.664 -26.267
18 1H5* 8MG 2 1H5* G 2 56.777 41.157 -24.942
19 2H5* 8MG 2 2H5* G 2 57.512 39.570 -24.633
20 1HC 8MG 2 1HC CH3 2 62.967 43.725 -24.594
21 2HC 8MG 2 2HC CH3 2 63.319 43.768 -22.849
22 3HC 8MG 2 3HC CH3 2 61.651 43.510 -23.414
23 H1 8MG 2 H1 G 2 63.680 36.914 -22.131
24 1H2 8MG 2 H21 G 2 61.219 36.279 -24.486
25 2H2 8MG 2 H22 G 2 62.316 35.626 -23.284
26 1H5* C 3 1H5* C 3 61.687 38.217 -30.312
27 2H5* C 3 2H5* C 3 60.284 37.128 -30.283
28 H4* C 3 H4* C 3 62.216 35.775 -30.226
29 H3* C 3 H3* C 3 60.344 35.451 -28.289
30 H1* C 3 H1* C 3 64.075 35.436 -27.559
31 1H4 C 3 H41 C 3 65.890 40.859 -24.245
32 2H4 C 3 H42 C 3 66.683 39.497 -23.483
33 H5 C 3 H5 C 3 64.279 40.588 -26.045
34 H6 C 3 H6 C 3 63.102 38.970 -27.438
35 1H2* C 3 1H2* C 3 61.466 36.692 -26.560
36 2H2* C 3 2H2* C 3 62.061 35.067 -26.248
37 1H5* G 4 1H5* G 4 61.595 30.992 -31.112
38 2H5* G 4 2H5* G 4 62.616 32.200 -30.304
39 H4* G 4 H4* G 4 60.837 32.650 -32.699
40 H3* G 4 H3* G 4 63.700 31.969 -32.529
41 H1* G 4 H1* G 4 61.636 35.098 -33.646
42 H8 G 4 H8 G 4 61.980 37.579 -33.705
43 H1 G 4 H1 G 4 66.723 37.344 -29.407
44 1H2 G 4 H21 G 4 66.203 33.916 -29.483
45 2H2 G 4 H22 G 4 67.102 35.250 -28.793
46 1H2* G 4 1H2* G 4 64.444 34.027 -33.317
47 2H2* G 4 2H2* G 4 63.340 33.900 -34.678
48 1H5* DFC 5 1H5* C 5 65.999 31.461 -35.764
49 2H5* DFC 5 2H5* C 5 64.828 32.309 -34.734
50 H4* DFC 5 H4* C 5 65.613 30.088 -33.254
51 H3* DFC 5 H3* C 5 67.678 30.179 -34.977
52 1H2* DFC 5 1H2* C 5 68.459 32.390 -34.638
53 2H2* DFC 5 2H2* C 5 69.333 31.602 -33.331
54 H1* DFC 5 H1* C 5 67.863 32.350 -31.672
55 1H4 DFC 5 H41 C 5 66.969 38.478 -34.039
56 2H4 DFC 5 H42 C 5 67.991 38.604 -32.627
57 H5 DFC 5 H5 C 5 66.201 36.351 -34.914
58 H6 DFC 5 H6 C 5 66.259 33.931 -34.610
59 1H5* DFG 6 1H5* G 6 69.736 30.937 -31.448
60 2H5* DFG 6 2H5* G 6 70.006 29.326 -30.753
61 H4* DFG 6 H4* G 6 71.989 29.977 -30.059
62 H3* DFG 6 H3* G 6 72.686 29.283 -32.547
63 1H2* DFG 6 1H2* G 6 72.318 31.373 -33.647
64 2H2* DFG 6 2H2* G 6 74.015 31.533 -33.218
65 H1* DFG 6 H1* G 6 73.553 32.871 -31.303
66 H8 DFG 6 H8 G 6 70.716 32.693 -33.899
67 H1 DFG 6 H1 G 6 72.166 38.542 -31.713
68 1H2 DFG 6 H21 G 6 74.306 36.855 -29.571
69 2H2 DFG 6 H22 G 6 73.669 38.398 -30.106
70 1H5* C 7 1H5* C 7 77.778 30.682 -33.381
71 2H5* C 7 2H5* C 7 78.247 30.602 -31.671
72 H4* C 7 H4* C 7 79.186 32.567 -32.541
73 H3* C 7 H3* C 7 77.444 32.783 -30.397
74 H1* C 7 H1* C 7 77.576 35.256 -33.423
75 1H4 C 7 H41 C 7 71.767 34.507 -36.493
76 2H4 C 7 H42 C 7 71.942 36.226 -36.228
77 H5 C 7 H5 C 7 73.327 32.879 -35.616
78 H6 C 7 H6 C 7 75.372 32.571 -34.326
79 1H2* C 7 1H2* C 7 75.676 33.951 -31.435
80 2H2* C 7 2H2* C 7 76.743 35.330 -31.213
81 1H5* G 8 1H5* G 8 80.107 37.791 -30.809
82 2H5* G 8 2H5* G 8 79.777 36.234 -31.596
83 H4* G 8 H4* G 8 81.944 36.710 -29.553
84 H3* G 8 H3* G 8 82.028 37.166 -32.466
85 H1* G 8 H1* G 8 83.278 33.688 -31.155
86 H8 G 8 H8 G 8 82.498 31.876 -32.688
87 H1 G 8 H1 G 8 78.782 35.867 -36.043
88 1H2 G 8 H21 G 8 79.964 38.310 -33.875
89 2H2 G 8 H22 G 8 78.927 37.917 -35.230
90 1H2* G 8 1H2* G 8 83.904 35.748 -32.860
91 2H2* G 8 2H2* G 8 84.380 35.743 -31.165
92 1H5* C 9 1H5* C 9 86.179 38.176 -34.531
93 2H5* C 9 2H5* C 9 86.232 39.528 -33.380
94 H4* C 9 H4* C 9 85.405 40.614 -35.183
95 H3* C 9 H3* C 9 83.497 40.446 -33.343
96 H1* C 9 H1* C 9 82.623 39.217 -36.956
97 1H4 C 9 H41 C 9 82.910 32.611 -36.672
98 2H4 C 9 H42 C 9 81.607 33.036 -37.761
99 H5 C 9 H5 C 9 84.177 34.275 -35.443
100 H6 C 9 H6 C 9 84.447 36.661 -35.020
101 1H2* C 9 1H2* C 9 82.469 38.389 -34.034
102 2H2* C 9 2H2* C 9 81.479 39.553 -34.903
103 1H5* G 10 1H5* G 10 83.365 44.288 -37.306
104 2H5* G 10 2H5* G 10 83.818 42.674 -36.719
105 H4* G 10 H4* G 10 85.325 45.204 -36.071
106 H3* G 10 H3* G 10 85.688 43.357 -38.405
107 H1* G 10 H1* G 10 88.049 43.435 -35.298
108 H8 G 10 H8 G 10 89.245 41.250 -34.960
109 H1 G 10 H1 G 10 85.394 38.187 -39.068
110 1H2 G 10 H21 G 10 83.910 41.285 -39.499
111 2H2 G 10 H22 G 10 83.926 39.587 -39.926
112 1H2* G 10 1H2* G 10 88.061 43.427 -38.113
113 2H2* G 10 2H2* G 10 87.993 44.878 -37.122
114 1H5* C 11 1H5* C 11 79.940 33.011 -44.130
115 2H5* C 11 2H5* C 11 81.572 33.508 -43.643
116 H4* C 11 H4* C 11 78.919 34.681 -42.888
117 H3* C 11 H3* C 11 80.505 35.564 -44.838
118 H1* C 11 H1* C 11 80.992 37.058 -41.266
119 1H4 C 11 H41 C 11 86.349 34.128 -38.726
120 2H4 C 11 H42 C 11 86.500 35.835 -38.374
121 H5 C 11 H5 C 11 84.554 33.221 -40.076
122 H6 C 11 H6 C 11 82.548 33.766 -41.349
123 H5T C 11 H5* C 11 79.689 32.626 -41.724
124 1H2* C 11 1H2* C 11 82.538 35.829 -43.584
125 2H2* C 11 2H2* C 11 81.859 37.446 -43.450
126 H3* 8MG 12 H3* G 12 76.108 37.839 -43.040
127 1H2* 8MG 12 1H2* G 12 75.900 36.592 -41.077
128 2H2* 8MG 12 2H2* G 12 74.212 36.229 -41.408
129 H1* 8MG 12 H1* G 12 74.669 34.232 -42.373
130 H4* 8MG 12 H4* G 12 74.327 36.011 -44.578
131 1H5* 8MG 12 1H5* G 12 75.704 36.283 -46.345
132 2H5* 8MG 12 2H5* G 12 76.054 37.790 -45.477
133 1HC 8MG 12 1HC CH3 12 75.355 31.785 -42.354
134 2HC 8MG 12 2HC CH3 12 76.983 31.099 -42.568
135 3HC 8MG 12 3HC CH3 12 76.470 32.494 -43.547
136 H1 8MG 12 H1 G 12 80.157 35.623 -38.465
137 1H2 8MG 12 H21 G 12 78.287 38.317 -39.575
138 2H2 8MG 12 H22 G 12 79.616 37.752 -38.586
139 1H5* C 13 1H5* C 13 72.236 39.315 -39.522
140 2H5* C 13 2H5* C 13 72.707 40.713 -40.511
141 H4* C 13 H4* C 13 73.532 41.127 -38.354
142 H3* C 13 H3* C 13 75.305 41.181 -40.391
143 H1* C 13 H1* C 13 76.117 39.414 -37.094
144 1H4 C 13 H41 C 13 76.164 32.864 -38.113
145 2H4 C 13 H42 C 13 77.372 33.232 -36.900
146 H5 C 13 H5 C 13 74.872 34.601 -39.228
147 H6 C 13 H6 C 13 74.501 37.006 -39.404
148 1H2* C 13 1H2* C 13 76.181 38.956 -40.120
149 2H2* C 13 2H2* C 13 77.311 39.885 -39.145
150 1H5* G 14 1H5* G 14 76.441 45.854 -37.340
151 2H5* G 14 2H5* G 14 76.568 44.188 -36.738
152 H4* G 14 H4* G 14 74.216 46.000 -36.918
153 H3* G 14 H3* G 14 75.494 44.384 -34.798
154 H1* G 14 H1* G 14 71.931 44.540 -36.423
155 H8 G 14 H8 G 14 70.340 42.858 -37.452
156 H1 G 14 H1 G 14 73.489 37.931 -34.838
157 1H2 G 14 H21 G 14 75.773 40.326 -33.812
158 2H2 G 14 H22 G 14 75.331 38.632 -33.843
159 1H2* G 14 1H2* G 14 73.561 43.208 -34.264
160 2H2* G 14 2H2* G 14 72.644 44.709 -34.225
161 1H5* DFC 15 1H5* C 15 74.287 46.968 -30.444
162 2H5* DFC 15 2H5* C 15 72.879 45.891 -30.337
163 H4* DFC 15 H4* C 15 75.779 45.298 -30.105
164 H3* DFC 15 H3* C 15 73.922 45.240 -28.190
165 1H2* DFC 15 1H2* C 15 72.400 43.662 -29.140
166 2H2* DFC 15 2H2* C 15 73.428 42.575 -28.217
167 H1* DFC 15 H1* C 15 74.671 41.894 -30.110
168 1H4 DFC 15 H41 C 15 69.541 41.204 -34.241
169 2H4 DFC 15 H42 C 15 70.023 39.604 -33.725
170 H5 DFC 15 H5 C 15 70.590 43.223 -33.394
171 H6 DFC 15 H6 C 15 72.302 44.100 -31.893
172 1H5* DFG 16 1H5* G 16 75.050 41.346 -27.709
173 2H5* DFG 16 2H5* G 16 76.407 41.274 -26.568
174 H4* DFG 16 H4* G 16 75.477 39.551 -25.574
175 H3* DFG 16 H3* G 16 74.068 41.473 -24.315
176 1H2* DFG 16 1H2* G 16 72.200 41.586 -25.810
177 2H2* DFG 16 2H2* G 16 71.616 40.384 -24.668
178 H1* DFG 16 H1* G 16 72.238 38.546 -26.066
179 H8 DFG 16 H8 G 16 71.583 41.940 -27.734
180 H1 DFG 16 H1 G 16 69.210 36.848 -30.820
181 1H2 DFG 16 H21 G 16 70.966 34.999 -28.478
182 2H2 DFG 16 H22 G 16 69.914 34.987 -29.877
183 1H5* C 17 1H5* C 17 72.331 36.657 -21.862
184 2H5* C 17 2H5* C 17 73.051 36.694 -23.485
185 H4* C 17 H4* C 17 70.728 35.355 -22.597
186 H3* C 17 H3* C 17 72.525 35.008 -24.666
187 H1* C 17 H1* C 17 68.790 35.521 -24.998
188 1H4 C 17 H41 C 17 67.341 41.217 -28.022
189 2H4 C 17 H42 C 17 66.549 39.969 -28.957
190 H5 C 17 H5 C 17 68.844 40.718 -26.179
191 H6 C 17 H6 C 17 69.870 38.932 -24.871
192 1H2* C 17 1H2* C 17 71.436 36.444 -26.243
193 2H2* C 17 2H2* C 17 70.577 34.942 -26.554
194 1H5* G 18 1H5* G 18 70.800 29.832 -23.096
195 2H5* G 18 2H5* G 18 69.792 31.233 -23.515
196 H4* G 18 H4* G 18 71.037 30.468 -20.916
197 H3* G 18 H3* G 18 68.295 31.293 -21.802
198 H1* G 18 H1* G 18 70.629 33.169 -19.256
199 H8 G 18 H8 G 18 70.490 35.675 -19.177
200 H1 G 18 H1 G 18 66.098 35.856 -23.830
201 1H2 G 18 H21 G 18 66.512 32.428 -23.949
202 2H2 G 18 H22 G 18 65.712 33.845 -24.602
203 1H2* G 18 1H2* G 18 67.919 32.392 -19.728
204 2H2* G 18 2H2* G 18 69.146 31.448 -18.895
205 1H5* C 19 1H5* C 19 65.073 29.608 -18.554
206 2H5* C 19 2H5* C 19 65.105 28.272 -19.723
207 H4* C 19 H4* C 19 63.028 29.266 -20.018
208 H3* C 19 H3* C 19 64.608 29.215 -22.205
209 H1* C 19 H1* C 19 62.638 32.357 -21.248
210 1H4 C 19 H41 C 19 66.772 36.981 -18.949
211 2H4 C 19 H42 C 19 65.716 37.773 -20.100
212 H5 C 19 H5 C 19 66.719 34.584 -18.564
213 H6 C 19 H6 C 19 65.651 32.487 -19.205
214 1H2* C 19 1H2* C 19 65.456 31.464 -22.046
215 2H2* C 19 2H2* C 19 64.061 31.700 -23.091
216 1H5* G 20 1H5* G 20 59.138 29.060 -23.110
217 2H5* G 20 2H5* G 20 60.487 29.573 -22.073
218 H4* G 20 H4* G 20 59.372 26.771 -22.203
219 H3* G 20 H3* G 20 58.595 29.042 -20.411
220 H1* G 20 H1* G 20 60.847 26.110 -19.193
221 H8 G 20 H8 G 20 62.199 26.857 -17.202
222 H1 G 20 H1 G 20 61.185 33.050 -18.508
223 1H2 G 20 H21 G 20 59.230 31.857 -21.109
224 2H2 G 20 H22 G 20 59.876 33.252 -20.269
225 1H2* G 20 1H2* G 20 58.566 27.575 -18.517
226 2H2* G 20 2H2* G 20 58.529 26.130 -19.516
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