NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8537 |
1me1   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 1 1H5* G 1 6.500 -9.000 3.342
2 2H5* G 1 2H5* G 1 6.054 -8.603 1.659
3 H4* G 1 H4* G 1 4.308 -9.851 2.979
4 H3* G 1 H3* G 1 3.805 -7.072 1.950
5 H2* G 1 H2* G 1 1.789 -6.907 2.940
6 2HO* G 1 2HO* G 1 0.471 -8.494 2.502
7 H1* G 1 H1* G 1 2.159 -8.642 5.098
8 H8 G 1 H8 G 1 4.677 -5.897 5.172
9 H1 G 1 H1 G 1 -1.127 -3.987 6.972
10 1H2 G 1 1H2 G 1 -2.617 -5.546 6.442
11 2H2 G 1 2H2 G 1 -2.146 -7.041 5.656
12 H5T G 1 H5T G 1 5.448 -6.484 2.573
13 1H5* G 2 1H5* G 2 0.164 -9.812 1.099
14 2H5* G 2 2H5* G 2 -0.266 -9.410 -0.586
15 H4* G 2 H4* G 2 -2.200 -9.508 1.006
16 H3* G 2 H3* G 2 -1.437 -6.943 -0.338
17 H2* G 2 H2* G 2 -2.955 -5.697 0.758
18 2HO* G 2 2HO* G 2 -4.732 -7.093 0.131
19 H1* G 2 H1* G 2 -3.181 -7.208 3.105
20 H8 G 2 H8 G 2 0.267 -6.003 2.172
21 H1 G 2 H1 G 2 -3.133 -1.662 5.321
22 1H2 G 2 1H2 G 2 -5.238 -2.324 5.475
23 2H2 G 2 2H2 G 2 -5.787 -3.846 4.804
24 1H5* A 3 1H5* A 3 -6.355 -8.204 -1.016
25 2H5* A 3 2H5* A 3 -6.405 -7.551 -2.668
26 H4* A 3 H4* A 3 -8.387 -6.828 -1.363
27 H3* A 3 H3* A 3 -6.312 -4.861 -2.285
28 H2* A 3 H2* A 3 -7.300 -3.059 -1.250
29 2HO* A 3 2HO* A 3 -9.522 -4.216 -1.926
30 H1* A 3 H1* A 3 -8.071 -4.244 1.085
31 H8 A 3 H8 A 3 -4.780 -5.466 -0.288
32 1H6 A 3 1H6 A 3 -2.018 -0.775 2.454
33 2H6 A 3 2H6 A 3 -1.811 -2.255 1.539
34 H2 A 3 H2 A 3 -6.467 -0.217 2.939
35 1H5* C 4 1H5* C 4 -9.285 -2.552 -2.702
36 2H5* C 4 2H5* C 4 -9.306 -1.689 -4.252
37 H4* C 4 H4* C 4 -9.121 -0.108 -2.381
38 H3* C 4 H3* C 4 -6.732 -0.448 -4.174
39 H2* C 4 H2* C 4 -5.549 1.132 -3.044
40 2HO* C 4 2HO* C 4 -7.720 2.453 -3.080
41 H1* C 4 H1* C 4 -6.709 0.727 -0.517
42 1H4 C 4 1H4 C 4 -0.606 -1.108 -0.352
43 2H4 C 4 2H4 C 4 -1.042 -2.643 -1.074
44 H5 C 4 H5 C 4 -3.279 -3.159 -1.829
45 H6 C 4 H6 C 4 -5.552 -2.297 -2.088
46 1H5* U25 5 1H5* U5P 5 -7.613 3.968 -3.840
47 2H5* U25 5 2H5* U5P 5 -7.484 4.570 -5.504
48 H4* U25 5 H4* U5P 5 -6.169 5.953 -3.940
49 H3* U25 5 H3* U5P 5 -4.781 4.329 -6.042
50 H2* U25 5 H2* U5P 5 -2.709 4.926 -5.363
51 H1* U25 5 H1* U5P 5 -3.215 5.319 -2.639
52 H3 U25 5 HN3 U5P 5 0.065 2.241 -2.512
53 H5 U25 5 H5 U5P 5 -3.037 0.246 -4.537
54 H6 U25 5 H6 U5P 5 -4.321 2.311 -4.474
55 3HO* U25 5 *HO3 U5P 5 -4.442 6.549 -6.800
56 1H5* U25 6 1H5* U5P 6 -0.690 7.706 -3.387
57 2H5* U25 6 2H5* U5P 6 -0.207 9.028 -4.469
58 H4* U25 6 H4* U5P 6 1.780 8.077 -3.447
59 H3* U25 6 H3* U5P 6 1.337 8.183 -6.263
60 H2* U25 6 H2* U5P 6 1.648 6.036 -6.785
61 H1* U25 6 H1* U5P 6 3.271 5.348 -4.361
62 H3 U25 6 HN3 U5P 6 2.471 0.981 -4.900
63 H5 U25 6 H5 U5P 6 -0.837 2.763 -6.799
64 H6 U25 6 H6 U5P 6 0.068 4.935 -6.179
65 3HO* U25 6 *HO3 U5P 6 3.911 7.930 -5.166
66 1H5* C25 7 1H5* C5P 7 5.522 2.677 -7.488
67 2H5* C25 7 2H5* C5P 7 4.939 2.219 -5.874
68 H4* C25 7 H4* C5P 7 7.407 1.801 -6.286
69 H3* C25 7 H3* C5P 7 6.160 2.896 -3.982
70 H2* C25 7 H2* C5P 7 7.134 4.905 -3.873
71 H1* C25 7 H1* C5P 7 9.560 4.197 -5.452
72 1H4 C25 7 1HN4 C5P 7 9.147 10.440 -6.522
73 2H4 C25 7 2HN4 C5P 7 7.406 10.415 -6.366
74 H5 C25 7 H5 C5P 7 6.150 8.403 -5.906
75 H6 C25 7 H6 C5P 7 6.299 5.983 -5.514
76 3HO* C25 7 *HO3 C5P 7 8.503 2.104 -3.256
77 1H5* G25 8 1H5* 5GP 8 9.176 7.209 -0.627
78 2H5* G25 8 2H5* 5GP 8 10.085 6.200 0.533
79 H4* G25 8 H4* 5GP 8 8.102 7.370 1.496
80 H3* G25 8 H3* 5GP 8 8.123 4.364 1.335
81 H2* G25 8 H2* 5GP 8 6.038 4.190 2.237
82 H1* G25 8 H1* 5GP 8 4.993 6.676 1.370
83 H8 G25 8 H8 5GP 8 6.242 3.257 0.063
84 H1 G25 8 HN1 5GP 8 0.363 4.825 -1.794
85 1H2 G25 8 1HN2 5GP 8 -0.093 6.893 -1.193
86 2H2 G25 8 2HN2 5GP 8 1.048 7.887 -0.323
87 3HO* G25 8 *HO3 5GP 8 8.102 6.032 3.624
88 1H5* G 9 1H5* G 9 4.362 7.592 4.188
89 2H5* G 9 2H5* G 9 3.609 7.311 5.784
90 H4* G 9 H4* G 9 2.095 8.410 4.159
91 H3* G 9 H3* G 9 1.527 5.576 4.995
92 H2* G 9 H2* G 9 -0.382 5.504 3.729
93 2HO* G 9 2HO* G 9 -0.675 7.966 4.447
94 H1* G 9 H1* G 9 0.496 6.935 1.569
95 H8 G 9 H8 G 9 3.196 4.536 2.365
96 H1 G 9 H1 G 9 -1.940 1.562 0.016
97 1H2 G 9 1H2 G 9 -3.665 2.955 -0.004
98 2H2 G 9 2H2 G 9 -3.531 4.608 0.565
99 1H5* U 10 1H5* U 10 -2.309 7.885 5.012
100 2H5* U 10 2H5* U 10 -2.739 7.809 6.734
101 H4* U 10 H4* U 10 -4.745 7.451 5.432
102 H3* U 10 H3* U 10 -3.537 5.120 6.863
103 H2* U 10 H2* U 10 -5.040 3.607 6.048
104 2HO* U 10 2HO* U 10 -6.894 4.874 6.605
105 H1* U 10 H1* U 10 -5.487 4.688 3.560
106 H3 U 10 H3 U 10 -3.726 0.553 2.853
107 H5 U 10 H5 U 10 -0.434 2.931 3.924
108 H6 U 10 H6 U 10 -1.989 4.725 4.462
109 1H5* C 11 1H5* C 11 -7.298 4.949 8.508
110 2H5* C 11 2H5* C 11 -7.319 4.252 10.141
111 H4* C 11 H4* C 11 -8.252 2.690 8.458
112 H3* C 11 H3* C 11 -5.701 2.021 9.899
113 H2* C 11 H2* C 11 -5.452 0.046 8.791
114 2HO* C 11 2HO* C 11 -7.117 -1.209 8.441
115 H1* C 11 H1* C 11 -6.556 0.759 6.349
116 1H4 C 11 1H4 C 11 -0.264 0.283 5.610
117 2H4 C 11 2H4 C 11 -0.013 1.810 6.435
118 H5 C 11 H5 C 11 -1.815 3.067 7.452
119 H6 C 11 H6 C 11 -4.233 3.126 7.883
120 1H5* C 12 1H5* C 12 -8.725 -1.226 9.870
121 2H5* C 12 2H5* C 12 -8.708 -2.129 11.400
122 H4* C 12 H4* C 12 -8.628 -3.636 9.435
123 H3* C 12 H3* C 12 -6.346 -3.466 11.368
124 H2* C 12 H2* C 12 -4.995 -4.868 10.198
125 2HO* C 12 2HO* C 12 -7.022 -6.340 10.003
126 H1* C 12 H1* C 12 -5.921 -4.332 7.611
127 1H4 C 12 1H4 C 12 -0.149 -1.700 7.878
128 2H4 C 12 2H4 C 12 -0.715 -0.456 8.978
129 H5 C 12 H5 C 12 -2.960 -0.418 9.883
130 H6 C 12 H6 C 12 -5.141 -1.549 9.891
131 H3T C 12 H3T C 12 -8.362 -4.505 11.885
Start of MODEL 2
1 1H5* G 1 1H5* G 1 6.690 -8.730 2.494
2 2H5* G 1 2H5* G 1 6.061 -8.421 0.851
3 H4* G 1 H4* G 1 4.493 -9.672 2.350
4 H3* G 1 H3* G 1 3.806 -6.908 1.387
5 H2* G 1 H2* G 1 1.915 -6.802 2.591
6 2HO* G 1 2HO* G 1 0.668 -8.451 2.068
7 H1* G 1 H1* G 1 2.563 -8.580 4.671
8 H8 G 1 H8 G 1 4.916 -5.693 4.558
9 H1 G 1 H1 G 1 -0.800 -4.138 6.924
10 1H2 G 1 1H2 G 1 -1.757 -7.234 5.661
11 2H2 G 1 2H2 G 1 -2.237 -5.775 6.507
12 H5T G 1 H5T G 1 7.093 -6.586 1.723
13 1H5* G 2 1H5* G 2 0.090 -9.742 0.852
14 2H5* G 2 2H5* G 2 -0.449 -9.310 -0.794
15 H4* G 2 H4* G 2 -2.272 -9.447 0.926
16 H3* G 2 H3* G 2 -1.623 -6.846 -0.415
17 H2* G 2 H2* G 2 -3.111 -5.658 0.783
18 2HO* G 2 2HO* G 2 -4.867 -7.137 0.215
19 H1* G 2 H1* G 2 -3.163 -7.231 3.106
20 H8 G 2 H8 G 2 0.229 -5.967 2.177
21 H1 G 2 H1 G 2 -3.255 -1.595 5.167
22 1H2 G 2 1H2 G 2 -5.876 -3.819 4.656
23 2H2 G 2 2H2 G 2 -5.355 -2.277 5.303
24 1H5* A 3 1H5* A 3 -6.643 -8.109 -0.846
25 2H5* A 3 2H5* A 3 -6.639 -7.518 -2.522
26 H4* A 3 H4* A 3 -8.629 -6.684 -1.339
27 H3* A 3 H3* A 3 -6.435 -4.786 -2.127
28 H2* A 3 H2* A 3 -7.488 -2.948 -1.213
29 2HO* A 3 2HO* A 3 -9.656 -4.031 -2.033
30 H1* A 3 H1* A 3 -8.371 -4.084 1.099
31 H8 A 3 H8 A 3 -5.063 -5.495 0.059
32 1H6 A 3 1H6 A 3 -2.088 -2.164 1.630
33 2H6 A 3 2H6 A 3 -2.291 -0.581 2.354
34 H2 A 3 H2 A 3 -6.734 0.148 2.561
35 1H5* C 4 1H5* C 4 -9.312 -2.488 -2.989
36 2H5* C 4 2H5* C 4 -9.164 -1.675 -4.558
37 H4* C 4 H4* C 4 -9.194 -0.057 -2.692
38 H3* C 4 H3* C 4 -6.670 -0.365 -4.297
39 H2* C 4 H2* C 4 -5.617 1.279 -3.113
40 2HO* C 4 2HO* C 4 -7.681 2.609 -3.324
41 H1* C 4 H1* C 4 -6.854 0.824 -0.657
42 1H4 C 4 1H4 C 4 -0.773 -1.063 -0.327
43 2H4 C 4 2H4 C 4 -1.234 -2.635 -0.945
44 H5 C 4 H5 C 4 -3.472 -3.148 -1.710
45 H6 C 4 H6 C 4 -5.721 -2.251 -2.065
46 1H5* U25 5 1H5* U5P 5 -7.515 4.143 -3.999
47 2H5* U25 5 2H5* U5P 5 -7.381 4.627 -5.701
48 H4* U25 5 H4* U5P 5 -6.055 6.110 -4.244
49 H3* U25 5 H3* U5P 5 -4.694 4.323 -6.225
50 H2* U25 5 H2* U5P 5 -2.607 4.884 -5.577
51 H1* U25 5 H1* U5P 5 -3.104 5.516 -2.890
52 H3 U25 5 HN3 U5P 5 0.061 2.356 -2.443
53 H5 U25 5 H5 U5P 5 -3.045 0.313 -4.412
54 H6 U25 5 H6 U5P 5 -4.269 2.412 -4.524
55 3HO* U25 5 *HO3 U5P 5 -5.891 6.164 -6.906
56 1H5* U25 6 1H5* U5P 6 -0.495 7.782 -3.557
57 2H5* U25 6 2H5* U5P 6 0.023 8.974 -4.766
58 H4* U25 6 H4* U5P 6 1.963 8.146 -3.523
59 H3* U25 6 H3* U5P 6 1.672 8.060 -6.348
60 H2* U25 6 H2* U5P 6 1.931 5.875 -6.707
61 H1* U25 6 H1* U5P 6 3.485 5.313 -4.208
62 H3 U25 6 HN3 U5P 6 2.646 0.938 -4.561
63 H5 U25 6 H5 U5P 6 -0.634 2.668 -6.554
64 H6 U25 6 H6 U5P 6 0.292 4.860 -6.029
65 3HO* U25 6 *HO3 U5P 6 3.215 9.233 -4.945
66 1H5* C25 7 1H5* C5P 7 5.767 2.432 -7.236
67 2H5* C25 7 2H5* C5P 7 5.109 2.008 -5.642
68 H4* C25 7 H4* C5P 7 7.582 1.546 -5.938
69 H3* C25 7 H3* C5P 7 6.257 2.715 -3.713
70 H2* C25 7 H2* C5P 7 7.278 4.698 -3.594
71 H1* C25 7 H1* C5P 7 9.749 3.899 -5.057
72 1H4 C25 7 1HN4 C5P 7 9.565 10.137 -6.216
73 2H4 C25 7 2HN4 C5P 7 7.820 10.164 -6.131
74 H5 C25 7 H5 C5P 7 6.486 8.195 -5.705
75 H6 C25 7 H6 C5P 7 6.548 5.777 -5.282
76 3HO* C25 7 *HO3 C5P 7 8.535 1.877 -2.860
77 1H5* G25 8 1H5* 5GP 8 9.341 6.974 -0.275
78 2H5* G25 8 2H5* 5GP 8 10.100 5.925 0.954
79 H4* G25 8 H4* 5GP 8 8.128 7.248 1.748
80 H3* G25 8 H3* 5GP 8 7.962 4.241 1.659
81 H2* G25 8 H2* 5GP 8 5.833 4.248 2.489
82 H1* G25 8 H1* 5GP 8 5.007 6.738 1.441
83 H8 G25 8 H8 5GP 8 6.161 3.220 0.309
84 H1 G25 8 HN1 5GP 8 0.404 4.956 -1.776
85 1H2 G25 8 1HN2 5GP 8 1.182 8.038 -0.374
86 2H2 G25 8 2HN2 5GP 8 0.021 7.068 -1.246
87 3HO* G25 8 *HO3 5GP 8 9.398 5.402 3.113
88 1H5* G 9 1H5* G 9 4.131 7.766 4.182
89 2H5* G 9 2H5* G 9 3.353 7.538 5.774
90 H4* G 9 H4* G 9 1.845 8.541 4.096
91 H3* G 9 H3* G 9 1.312 5.704 4.952
92 H2* G 9 H2* G 9 -0.603 5.637 3.685
93 2HO* G 9 2HO* G 9 -0.984 8.031 4.406
94 H1* G 9 H1* G 9 0.322 7.027 1.514
95 H8 G 9 H8 G 9 2.997 4.623 2.386
96 H1 G 9 H1 G 9 -2.134 1.635 0.041
97 1H2 G 9 1H2 G 9 -3.704 4.709 0.495
98 2H2 G 9 2H2 G 9 -3.846 3.043 -0.036
99 1H5* U 10 1H5* U 10 -2.549 8.076 5.110
100 2H5* U 10 2H5* U 10 -2.935 7.923 6.836
101 H4* U 10 H4* U 10 -4.974 7.649 5.550
102 H3* U 10 H3* U 10 -3.777 5.259 6.892
103 H2* U 10 H2* U 10 -5.319 3.792 6.059
104 2HO* U 10 2HO* U 10 -6.992 5.696 6.540
105 H1* U 10 H1* U 10 -5.773 4.947 3.602
106 H3 U 10 H3 U 10 -4.083 0.795 2.822
107 H5 U 10 H5 U 10 -0.740 3.103 3.871
108 H6 U 10 H6 U 10 -2.252 4.928 4.439
109 1H5* C 11 1H5* C 11 -7.515 4.846 8.327
110 2H5* C 11 2H5* C 11 -7.569 4.141 9.956
111 H4* C 11 H4* C 11 -8.413 2.563 8.242
112 H3* C 11 H3* C 11 -5.900 1.956 9.766
113 H2* C 11 H2* C 11 -5.494 0.036 8.630
114 2HO* C 11 2HO* C 11 -7.068 -1.320 8.283
115 H1* C 11 H1* C 11 -6.599 0.701 6.157
116 1H4 C 11 1H4 C 11 -0.304 0.468 5.513
117 2H4 C 11 2H4 C 11 -0.123 2.022 6.306
118 H5 C 11 H5 C 11 -1.994 3.216 7.300
119 H6 C 11 H6 C 11 -4.410 3.153 7.744
120 1H5* C 12 1H5* C 12 -8.641 -1.511 9.548
121 2H5* C 12 2H5* C 12 -8.663 -2.353 11.112
122 H4* C 12 H4* C 12 -8.320 -3.927 9.240
123 H3* C 12 H3* C 12 -6.144 -3.469 11.255
124 H2* C 12 H2* C 12 -4.669 -4.848 10.218
125 2HO* C 12 2HO* C 12 -6.598 -6.459 10.064
126 H1* C 12 H1* C 12 -5.587 -4.546 7.573
127 1H4 C 12 1H4 C 12 0.114 -1.731 7.775
128 2H4 C 12 2H4 C 12 -0.537 -0.403 8.716
129 H5 C 12 H5 C 12 -2.821 -0.343 9.511
130 H6 C 12 H6 C 12 -4.952 -1.556 9.582
131 H3T C 12 H3T C 12 -8.095 -4.601 11.797
Start of MODEL 3
1 1H5* G 1 1H5* G 1 6.393 -8.234 2.970
2 2H5* G 1 2H5* G 1 5.766 -7.966 1.319
3 H4* G 1 H4* G 1 4.639 -9.847 2.447
4 H3* G 1 H3* G 1 3.151 -7.295 1.936
5 H2* G 1 H2* G 1 1.238 -7.985 3.022
6 2HO* G 1 2HO* G 1 1.762 -10.267 1.950
7 H1* G 1 H1* G 1 2.358 -9.384 5.085
8 H8 G 1 H8 G 1 4.522 -6.486 5.059
9 H1 G 1 H1 G 1 -1.302 -4.783 6.955
10 1H2 G 1 1H2 G 1 -2.763 -6.357 6.468
11 2H2 G 1 2H2 G 1 -2.296 -7.846 5.669
12 H5T G 1 H5T G 1 5.947 -5.987 2.330
13 1H5* G 2 1H5* G 2 0.289 -9.721 1.177
14 2H5* G 2 2H5* G 2 -0.437 -9.532 -0.444
15 H4* G 2 H4* G 2 -2.115 -9.340 1.324
16 H3* G 2 H3* G 2 -1.308 -6.828 -0.099
17 H2* G 2 H2* G 2 -2.670 -5.521 1.131
18 2HO* G 2 2HO* G 2 -4.556 -6.830 0.654
19 H1* G 2 H1* G 2 -2.743 -7.110 3.465
20 H8 G 2 H8 G 2 0.740 -6.055 2.680
21 H1 G 2 H1 G 2 -2.689 -1.362 5.279
22 1H2 G 2 1H2 G 2 -4.830 -1.933 5.298
23 2H2 G 2 2H2 G 2 -5.389 -3.472 4.666
24 1H5* A 3 1H5* A 3 -6.159 -7.863 -0.165
25 2H5* A 3 2H5* A 3 -6.377 -7.493 -1.890
26 H4* A 3 H4* A 3 -8.252 -6.566 -0.637
27 H3* A 3 H3* A 3 -6.198 -4.723 -1.812
28 H2* A 3 H2* A 3 -7.163 -2.817 -0.961
29 2HO* A 3 2HO* A 3 -9.387 -3.958 -1.508
30 H1* A 3 H1* A 3 -7.916 -3.762 1.493
31 H8 A 3 H8 A 3 -4.565 -5.102 0.424
32 1H6 A 3 1H6 A 3 -2.026 0.050 2.557
33 2H6 A 3 2H6 A 3 -1.731 -1.556 1.917
34 H2 A 3 H2 A 3 -6.494 0.568 2.665
35 1H5* C 4 1H5* C 4 -9.201 -2.711 -2.771
36 2H5* C 4 2H5* C 4 -9.186 -1.961 -4.378
37 H4* C 4 H4* C 4 -9.075 -0.261 -2.595
38 H3* C 4 H3* C 4 -6.686 -0.662 -4.367
39 H2* C 4 H2* C 4 -5.493 0.946 -3.321
40 2HO* C 4 2HO* C 4 -6.717 2.719 -3.380
41 H1* C 4 H1* C 4 -6.691 0.741 -0.786
42 1H4 C 4 1H4 C 4 -0.584 -0.973 -0.322
43 2H4 C 4 2H4 C 4 -0.979 -2.581 -0.894
44 H5 C 4 H5 C 4 -3.199 -3.200 -1.665
45 H6 C 4 H6 C 4 -5.477 -2.385 -2.072
46 1H5* U25 5 1H5* U5P 5 -7.712 3.898 -4.199
47 2H5* U25 5 2H5* U5P 5 -7.559 4.349 -5.910
48 H4* U25 5 H4* U5P 5 -6.285 5.875 -4.417
49 H3* U25 5 H3* U5P 5 -4.905 4.151 -6.443
50 H2* U25 5 H2* U5P 5 -2.825 4.753 -5.815
51 H1* U25 5 H1* U5P 5 -3.306 5.337 -3.111
52 H3 U25 5 HN3 U5P 5 -0.095 2.243 -2.639
53 H5 U25 5 H5 U5P 5 -3.027 0.190 -4.838
54 H6 U25 5 H6 U5P 5 -4.342 2.241 -4.876
55 3HO* U25 5 *HO3 U5P 5 -6.138 5.961 -7.106
56 1H5* U25 6 1H5* U5P 6 -0.996 7.654 -3.740
57 2H5* U25 6 2H5* U5P 6 -0.370 8.935 -4.797
58 H4* U25 6 H4* U5P 6 1.426 8.002 -3.399
59 H3* U25 6 H3* U5P 6 1.482 8.231 -6.216
60 H2* U25 6 H2* U5P 6 1.776 6.086 -6.794
61 H1* U25 6 H1* U5P 6 3.039 5.209 -4.225
62 H3 U25 6 HN3 U5P 6 2.087 0.926 -5.165
63 H5 U25 6 H5 U5P 6 -0.958 3.017 -7.183
64 H6 U25 6 H6 U5P 6 0.018 5.091 -6.362
65 3HO* U25 6 *HO3 U5P 6 3.920 8.061 -5.484
66 1H5* C25 7 1H5* C5P 7 5.430 2.687 -7.518
67 2H5* C25 7 2H5* C5P 7 4.730 2.079 -6.005
68 H4* C25 7 H4* C5P 7 7.229 1.589 -6.512
69 H3* C25 7 H3* C5P 7 5.883 2.096 -4.042
70 H2* C25 7 H2* C5P 7 7.074 3.817 -3.243
71 H1* C25 7 H1* C5P 7 9.465 3.444 -4.978
72 1H4 C25 7 1HN4 C5P 7 9.527 9.751 -4.144
73 2H4 C25 7 2HN4 C5P 7 7.799 9.789 -3.878
74 H5 C25 7 H5 C5P 7 6.405 7.833 -3.979
75 H6 C25 7 H6 C5P 7 6.353 5.419 -4.371
76 3HO* C25 7 *HO3 C5P 7 7.992 0.806 -3.460
77 1H5* G25 8 1H5* 5GP 8 9.234 6.242 -1.296
78 2H5* G25 8 2H5* 5GP 8 9.935 5.334 0.074
79 H4* G25 8 H4* 5GP 8 8.341 7.141 0.731
80 H3* G25 8 H3* 5GP 8 7.730 4.257 1.277
81 H2* G25 8 H2* 5GP 8 5.639 4.664 2.085
82 H1* G25 8 H1* 5GP 8 4.996 6.952 0.611
83 H8 G25 8 H8 5GP 8 6.097 3.313 -0.177
84 H1 G25 8 HN1 5GP 8 0.212 4.845 -2.039
85 1H2 G25 8 1HN2 5GP 8 -0.175 6.964 -1.611
86 2H2 G25 8 2HN2 5GP 8 1.013 8.004 -0.866
87 3HO* G25 8 *HO3 5GP 8 8.001 6.414 3.095
88 1H5* G 9 1H5* G 9 4.009 8.475 3.071
89 2H5* G 9 2H5* G 9 3.409 8.498 4.753
90 H4* G 9 H4* G 9 1.693 9.202 3.142
91 H3* G 9 H3* G 9 1.361 6.506 4.435
92 H2* G 9 H2* G 9 -0.647 6.164 3.369
93 2HO* G 9 2HO* G 9 -1.166 8.562 3.827
94 H1* G 9 H1* G 9 -0.019 7.314 0.958
95 H8 G 9 H8 G 9 2.836 5.110 1.953
96 H1 G 9 H1 G 9 -2.198 1.772 -0.111
97 1H2 G 9 1H2 G 9 -3.966 3.106 -0.259
98 2H2 G 9 2H2 G 9 -3.886 4.807 0.157
99 1H5* U 10 1H5* U 10 -2.618 8.744 5.018
100 2H5* U 10 2H5* U 10 -2.803 8.558 6.774
101 H4* U 10 H4* U 10 -4.917 8.051 5.717
102 H3* U 10 H3* U 10 -3.350 5.727 6.813
103 H2* U 10 H2* U 10 -5.002 4.230 6.223
104 2HO* U 10 2HO* U 10 -6.651 5.994 6.945
105 H1* U 10 H1* U 10 -5.671 5.313 3.808
106 H3 U 10 H3 U 10 -3.750 1.285 2.980
107 H5 U 10 H5 U 10 -0.512 3.735 4.044
108 H6 U 10 H6 U 10 -2.101 5.513 4.553
109 1H5* C 11 1H5* C 11 -7.031 5.173 8.636
110 2H5* C 11 2H5* C 11 -6.913 4.351 10.204
111 H4* C 11 H4* C 11 -8.065 3.003 8.406
112 H3* C 11 H3* C 11 -5.600 2.051 9.831
113 H2* C 11 H2* C 11 -5.394 0.178 8.558
114 2HO* C 11 2HO* C 11 -7.221 -0.895 8.457
115 H1* C 11 H1* C 11 -6.375 1.117 6.151
116 1H4 C 11 1H4 C 11 -0.057 0.623 5.673
117 2H4 C 11 2H4 C 11 0.148 2.167 6.474
118 H5 C 11 H5 C 11 -1.713 3.422 7.414
119 H6 C 11 H6 C 11 -4.129 3.420 7.811
120 1H5* C 12 1H5* C 12 -8.780 -1.239 9.345
121 2H5* C 12 2H5* C 12 -8.839 -2.050 10.924
122 H4* C 12 H4* C 12 -8.738 -3.664 9.041
123 H3* C 12 H3* C 12 -6.530 -3.475 11.058
124 H2* C 12 H2* C 12 -5.208 -5.004 10.029
125 2HO* C 12 2HO* C 12 -6.756 -6.663 9.919
126 H1* C 12 H1* C 12 -6.030 -4.598 7.379
127 1H4 C 12 1H4 C 12 -0.086 -2.384 7.826
128 2H4 C 12 2H4 C 12 -0.653 -0.964 8.688
129 H5 C 12 H5 C 12 -2.933 -0.661 9.367
130 H6 C 12 H6 C 12 -5.187 -1.633 9.342
131 H3T C 12 H3T C 12 -8.455 -5.482 10.394
Start of MODEL 4
1 1H5* G 1 1H5* G 1 6.055 -8.849 2.860
2 2H5* G 1 2H5* G 1 5.409 -8.471 1.237
3 H4* G 1 H4* G 1 4.207 -10.340 2.324
4 H3* G 1 H3* G 1 2.848 -7.695 1.922
5 H2* G 1 H2* G 1 0.911 -8.330 3.003
6 2HO* G 1 2HO* G 1 1.318 -10.601 1.862
7 H1* G 1 H1* G 1 1.987 -9.820 5.024
8 H8 G 1 H8 G 1 4.319 -7.054 4.995
9 H1 G 1 H1 G 1 -1.378 -4.983 6.916
10 1H2 G 1 1H2 G 1 -2.935 -6.478 6.478
11 2H2 G 1 2H2 G 1 -2.567 -8.003 5.699
12 H5T G 1 H5T G 1 5.708 -6.550 2.309
13 1H5* G 2 1H5* G 2 -0.101 -9.962 1.104
14 2H5* G 2 2H5* G 2 -0.893 -9.666 -0.468
15 H4* G 2 H4* G 2 -2.468 -9.503 1.404
16 H3* G 2 H3* G 2 -1.666 -6.937 0.067
17 H2* G 2 H2* G 2 -3.005 -5.697 1.381
18 2HO* G 2 2HO* G 2 -4.887 -7.040 0.933
19 H1* G 2 H1* G 2 -2.935 -7.353 3.659
20 H8 G 2 H8 G 2 0.512 -6.341 2.791
21 H1 G 2 H1 G 2 -2.829 -1.512 5.243
22 1H2 G 2 1H2 G 2 -4.975 -2.061 5.314
23 2H2 G 2 2H2 G 2 -5.555 -3.618 4.752
24 1H5* A 3 1H5* A 3 -6.615 -7.922 -0.025
25 2H5* A 3 2H5* A 3 -6.733 -7.428 -1.729
26 H4* A 3 H4* A 3 -8.652 -6.547 -0.486
27 H3* A 3 H3* A 3 -6.512 -4.684 -1.472
28 H2* A 3 H2* A 3 -7.491 -2.810 -0.573
29 2HO* A 3 2HO* A 3 -9.727 -4.010 -1.189
30 H1* A 3 H1* A 3 -8.300 -3.859 1.811
31 H8 A 3 H8 A 3 -4.981 -5.326 0.933
32 1H6 A 3 1H6 A 3 -2.319 -0.130 2.739
33 2H6 A 3 2H6 A 3 -2.075 -1.788 2.228
34 H2 A 3 H2 A 3 -6.762 0.568 2.660
35 1H5* C 4 1H5* C 4 -9.362 -2.317 -2.029
36 2H5* C 4 2H5* C 4 -9.403 -1.638 -3.668
37 H4* C 4 H4* C 4 -9.190 0.153 -2.002
38 H3* C 4 H3* C 4 -6.870 -0.437 -3.805
39 H2* C 4 H2* C 4 -5.553 1.137 -2.876
40 2HO* C 4 2HO* C 4 -6.431 3.046 -2.754
41 H1* C 4 H1* C 4 -6.670 1.145 -0.297
42 1H4 C 4 1H4 C 4 -0.670 -0.967 0.015
43 2H4 C 4 2H4 C 4 -1.192 -2.562 -0.484
44 H5 C 4 H5 C 4 -3.481 -3.060 -1.134
45 H6 C 4 H6 C 4 -5.717 -2.113 -1.477
46 1H5* U25 5 1H5* U5P 5 -7.672 3.945 -3.797
47 2H5* U25 5 2H5* U5P 5 -7.560 4.500 -5.481
48 H4* U25 5 H4* U5P 5 -6.183 5.896 -3.988
49 H3* U25 5 H3* U5P 5 -4.867 4.156 -6.048
50 H2* U25 5 H2* U5P 5 -2.774 4.740 -5.423
51 H1* U25 5 H1* U5P 5 -3.252 5.275 -2.711
52 H3 U25 5 HN3 U5P 5 0.011 2.193 -2.421
53 H5 U25 5 H5 U5P 5 -3.093 0.108 -4.346
54 H6 U25 5 H6 U5P 5 -4.368 2.180 -4.397
55 3HO* U25 5 *HO3 U5P 5 -4.501 6.335 -6.908
56 1H5* U25 6 1H5* U5P 6 -0.697 7.583 -3.648
57 2H5* U25 6 2H5* U5P 6 -0.203 8.848 -4.792
58 H4* U25 6 H4* U5P 6 1.784 7.904 -3.777
59 H3* U25 6 H3* U5P 6 1.275 7.848 -6.588
60 H2* U25 6 H2* U5P 6 1.555 5.673 -6.983
61 H1* U25 6 H1* U5P 6 3.207 5.123 -4.542
62 H3 U25 6 HN3 U5P 6 2.371 0.737 -4.760
63 H5 U25 6 H5 U5P 6 -0.920 2.400 -6.791
64 H6 U25 6 H6 U5P 6 -0.009 4.607 -6.317
65 3HO* U25 6 *HO3 U5P 6 3.885 7.623 -5.655
66 1H5* C25 7 1H5* C5P 7 5.374 2.226 -7.542
67 2H5* C25 7 2H5* C5P 7 4.800 1.867 -5.900
68 H4* C25 7 H4* C5P 7 7.255 1.392 -6.293
69 H3* C25 7 H3* C5P 7 6.044 2.663 -4.064
70 H2* C25 7 H2* C5P 7 7.039 4.664 -4.108
71 H1* C25 7 H1* C5P 7 9.447 3.813 -5.645
72 1H4 C25 7 1HN4 C5P 7 9.107 9.966 -7.173
73 2H4 C25 7 2HN4 C5P 7 7.368 9.977 -6.997
74 H5 C25 7 H5 C5P 7 6.090 8.023 -6.375
75 H6 C25 7 H6 C5P 7 6.210 5.637 -5.808
76 3HO* C25 7 *HO3 C5P 7 8.369 1.895 -3.285
77 1H5* G25 8 1H5* 5GP 8 9.248 7.172 -1.103
78 2H5* G25 8 2H5* 5GP 8 10.142 6.270 0.153
79 H4* G25 8 H4* 5GP 8 8.160 7.550 0.980
80 H3* G25 8 H3* 5GP 8 8.171 4.543 1.128
81 H2* G25 8 H2* 5GP 8 6.082 4.468 2.023
82 H1* G25 8 H1* 5GP 8 5.064 6.877 0.927
83 H8 G25 8 H8 5GP 8 6.259 3.335 -0.078
84 H1 G25 8 HN1 5GP 8 0.341 4.793 -1.897
85 1H2 G25 8 1HN2 5GP 8 -0.082 6.906 -1.465
86 2H2 G25 8 2HN2 5GP 8 1.092 7.960 -0.718
87 3HO* G25 8 *HO3 5GP 8 8.156 6.455 3.224
88 1H5* G 9 1H5* G 9 4.477 8.051 3.843
89 2H5* G 9 2H5* G 9 3.718 7.853 5.448
90 H4* G 9 H4* G 9 2.228 8.883 3.748
91 H3* G 9 H3* G 9 1.608 6.119 4.766
92 H2* G 9 H2* G 9 -0.313 6.017 3.514
93 2HO* G 9 2HO* G 9 -0.697 8.414 4.109
94 H1* G 9 H1* G 9 0.607 7.247 1.257
95 H8 G 9 H8 G 9 3.269 4.878 2.225
96 H1 G 9 H1 G 9 -1.946 1.805 0.194
97 1H2 G 9 1H2 G 9 -3.646 3.237 0.081
98 2H2 G 9 2H2 G 9 -3.463 4.929 0.509
99 1H5* U 10 1H5* U 10 -2.308 8.533 4.868
100 2H5* U 10 2H5* U 10 -2.637 8.426 6.610
101 H4* U 10 H4* U 10 -4.705 8.021 5.438
102 H3* U 10 H3* U 10 -3.349 5.630 6.654
103 H2* U 10 H2* U 10 -5.014 4.204 5.974
104 2HO* U 10 2HO* U 10 -6.649 5.985 6.609
105 H1* U 10 H1* U 10 -5.517 5.313 3.517
106 H3 U 10 H3 U 10 -3.822 1.115 2.975
107 H5 U 10 H5 U 10 -0.474 3.492 3.863
108 H6 U 10 H6 U 10 -1.985 5.355 4.281
109 1H5* C 11 1H5* C 11 -7.018 5.147 8.437
110 2H5* C 11 2H5* C 11 -6.852 4.369 10.024
111 H4* C 11 H4* C 11 -7.975 2.918 8.317
112 H3* C 11 H3* C 11 -5.346 2.098 9.541
113 H2* C 11 H2* C 11 -5.330 0.131 8.378
114 2HO* C 11 2HO* C 11 -7.238 -0.820 8.464
115 H1* C 11 H1* C 11 -6.353 1.055 6.013
116 1H4 C 11 1H4 C 11 -0.037 0.467 5.591
117 2H4 C 11 2H4 C 11 0.181 2.046 6.316
118 H5 C 11 H5 C 11 -1.681 3.380 7.157
119 H6 C 11 H6 C 11 -4.094 3.410 7.546
120 1H5* C 12 1H5* C 12 -8.608 -0.982 9.565
121 2H5* C 12 2H5* C 12 -8.584 -1.793 11.145
122 H4* C 12 H4* C 12 -8.866 -3.392 9.263
123 H3* C 12 H3* C 12 -6.468 -3.468 11.056
124 H2* C 12 H2* C 12 -5.429 -5.139 9.913
125 2HO* C 12 2HO* C 12 -7.919 -5.743 8.637
126 H1* C 12 H1* C 12 -6.339 -4.570 7.344
127 1H4 C 12 1H4 C 12 -0.211 -2.851 7.674
128 2H4 C 12 2H4 C 12 -0.663 -1.368 8.500
129 H5 C 12 H5 C 12 -2.903 -0.857 9.167
130 H6 C 12 H6 C 12 -5.221 -1.656 9.210
131 H3T C 12 H3T C 12 -8.028 -5.683 10.868
Start of MODEL 5
1 1H5* G 1 1H5* G 1 6.430 -9.237 3.722
2 2H5* G 1 2H5* G 1 6.066 -8.678 2.066
3 H4* G 1 H4* G 1 4.262 -10.055 3.138
4 H3* G 1 H3* G 1 3.811 -7.178 2.411
5 H2* G 1 H2* G 1 1.773 -7.076 3.352
6 2HO* G 1 2HO* G 1 0.583 -8.612 2.434
7 H1* G 1 H1* G 1 2.012 -9.055 5.308
8 H8 G 1 H8 G 1 4.590 -6.437 5.820
9 H1 G 1 H1 G 1 -1.255 -4.451 7.397
10 1H2 G 1 1H2 G 1 -2.759 -5.890 6.620
11 2H2 G 1 2H2 G 1 -2.289 -7.324 5.727
12 H5T G 1 H5T G 1 5.336 -6.680 3.227
13 1H5* G 2 1H5* G 2 0.219 -9.878 1.067
14 2H5* G 2 2H5* G 2 -0.136 -9.286 -0.580
15 H4* G 2 H4* G 2 -2.131 -9.631 0.944
16 H3* G 2 H3* G 2 -1.430 -6.964 -0.219
17 H2* G 2 H2* G 2 -3.015 -5.828 0.901
18 2HO* G 2 2HO* G 2 -4.720 -7.291 0.190
19 H1* G 2 H1* G 2 -3.203 -7.392 3.189
20 H8 G 2 H8 G 2 0.283 -6.279 2.412
21 H1 G 2 H1 G 2 -3.179 -1.717 5.165
22 1H2 G 2 1H2 G 2 -5.303 -2.326 5.228
23 2H2 G 2 2H2 G 2 -5.851 -3.863 4.590
24 1H5* A 3 1H5* A 3 -6.338 -8.218 -0.967
25 2H5* A 3 2H5* A 3 -6.342 -7.561 -2.618
26 H4* A 3 H4* A 3 -8.362 -6.840 -1.371
27 H3* A 3 H3* A 3 -6.258 -4.873 -2.221
28 H2* A 3 H2* A 3 -7.275 -3.071 -1.213
29 2HO* A 3 2HO* A 3 -9.486 -4.286 -1.928
30 H1* A 3 H1* A 3 -8.107 -4.257 1.098
31 H8 A 3 H8 A 3 -4.825 -5.643 0.053
32 1H6 A 3 1H6 A 3 -2.033 -0.709 2.295
33 2H6 A 3 2H6 A 3 -1.828 -2.305 1.602
34 H2 A 3 H2 A 3 -6.475 0.045 2.441
35 1H5* C 4 1H5* C 4 -9.199 -2.508 -2.612
36 2H5* C 4 2H5* C 4 -9.223 -1.692 -4.188
37 H4* C 4 H4* C 4 -9.041 -0.058 -2.362
38 H3* C 4 H3* C 4 -6.675 -0.446 -4.172
39 H2* C 4 H2* C 4 -5.465 1.153 -3.104
40 2HO* C 4 2HO* C 4 -7.713 2.435 -3.074
41 H1* C 4 H1* C 4 -6.576 0.824 -0.550
42 1H4 C 4 1H4 C 4 -0.501 -1.073 -0.441
43 2H4 C 4 2H4 C 4 -0.973 -2.643 -1.055
44 H5 C 4 H5 C 4 -3.242 -3.166 -1.738
45 H6 C 4 H6 C 4 -5.508 -2.276 -2.003
46 1H5* U25 5 1H5* U5P 5 -7.553 3.945 -3.824
47 2H5* U25 5 2H5* U5P 5 -7.515 4.557 -5.490
48 H4* U25 5 H4* U5P 5 -6.165 5.974 -3.997
49 H3* U25 5 H3* U5P 5 -4.857 4.369 -6.158
50 H2* U25 5 H2* U5P 5 -2.755 4.920 -5.562
51 H1* U25 5 H1* U5P 5 -3.149 5.394 -2.819
52 H3 U25 5 HN3 U5P 5 0.109 2.311 -2.603
53 H5 U25 5 H5 U5P 5 -2.971 0.287 -4.635
54 H6 U25 5 H6 U5P 5 -4.259 2.350 -4.607
55 3HO* U25 5 *HO3 U5P 5 -5.243 7.156 -5.654
56 1H5* U25 6 1H5* U5P 6 -0.636 7.779 -3.491
57 2H5* U25 6 2H5* U5P 6 -0.172 9.040 -4.651
58 H4* U25 6 H4* U5P 6 1.814 8.175 -3.503
59 H3* U25 6 H3* U5P 6 1.457 8.265 -6.317
60 H2* U25 6 H2* U5P 6 1.725 6.105 -6.827
61 H1* U25 6 H1* U5P 6 3.348 5.390 -4.416
62 H3 U25 6 HN3 U5P 6 2.459 1.041 -5.006
63 H5 U25 6 H5 U5P 6 -0.856 2.916 -6.802
64 H6 U25 6 H6 U5P 6 0.102 5.062 -6.170
65 3HO* U25 6 *HO3 U5P 6 3.029 9.348 -4.868
66 1H5* C25 7 1H5* C5P 7 5.654 2.748 -7.542
67 2H5* C25 7 2H5* C5P 7 5.066 2.265 -5.938
68 H4* C25 7 H4* C5P 7 7.542 1.900 -6.314
69 H3* C25 7 H3* C5P 7 6.251 2.988 -4.032
70 H2* C25 7 H2* C5P 7 7.182 5.018 -3.930
71 H1* C25 7 H1* C5P 7 9.640 4.345 -5.476
72 1H4 C25 7 1HN4 C5P 7 9.118 10.568 -6.612
73 2H4 C25 7 2HN4 C5P 7 7.377 10.511 -6.473
74 H5 C25 7 H5 C5P 7 6.155 8.480 -6.005
75 H6 C25 7 H6 C5P 7 6.347 6.068 -5.587
76 3HO* C25 7 *HO3 C5P 7 8.594 2.248 -3.267
77 1H5* G25 8 1H5* 5GP 8 9.180 7.399 -0.701
78 2H5* G25 8 2H5* 5GP 8 10.081 6.422 0.492
79 H4* G25 8 H4* 5GP 8 8.062 7.585 1.395
80 H3* G25 8 H3* 5GP 8 8.141 4.577 1.300
81 H2* G25 8 H2* 5GP 8 6.040 4.382 2.155
82 H1* G25 8 H1* 5GP 8 4.976 6.843 1.237
83 H8 G25 8 H8 5GP 8 6.279 3.420 -0.008
84 H1 G25 8 HN1 5GP 8 0.382 4.890 -1.888
85 1H2 G25 8 1HN2 5GP 8 -0.101 6.957 -1.307
86 2H2 G25 8 2HN2 5GP 8 1.027 7.973 -0.446
87 3HO* G25 8 *HO3 5GP 8 8.055 6.319 3.538
88 1H5* G 9 1H5* G 9 4.280 7.778 4.180
89 2H5* G 9 2H5* G 9 3.515 7.428 5.757
90 H4* G 9 H4* G 9 1.994 8.535 4.144
91 H3* G 9 H3* G 9 1.487 5.657 4.870
92 H2* G 9 H2* G 9 -0.420 5.607 3.595
93 2HO* G 9 2HO* G 9 -0.759 8.033 4.391
94 H1* G 9 H1* G 9 0.467 7.096 1.485
95 H8 G 9 H8 G 9 3.201 4.733 2.232
96 H1 G 9 H1 G 9 -1.929 1.681 -0.027
97 1H2 G 9 1H2 G 9 -3.670 3.052 -0.026
98 2H2 G 9 2H2 G 9 -3.545 4.711 0.532
99 1H5* U 10 1H5* U 10 -2.359 7.924 4.956
100 2H5* U 10 2H5* U 10 -2.827 7.773 6.662
101 H4* U 10 H4* U 10 -4.802 7.484 5.281
102 H3* U 10 H3* U 10 -3.652 5.104 6.676
103 H2* U 10 H2* U 10 -5.143 3.625 5.782
104 2HO* U 10 2HO* U 10 -6.975 5.032 6.315
105 H1* U 10 H1* U 10 -5.489 4.763 3.303
106 H3 U 10 H3 U 10 -3.707 0.617 2.662
107 H5 U 10 H5 U 10 -0.450 3.012 3.799
108 H6 U 10 H6 U 10 -2.024 4.802 4.291
109 1H5* C 11 1H5* C 11 -7.424 4.882 8.213
110 2H5* C 11 2H5* C 11 -7.494 4.143 9.825
111 H4* C 11 H4* C 11 -8.364 2.633 8.053
112 H3* C 11 H3* C 11 -5.894 1.912 9.607
113 H2* C 11 H2* C 11 -5.601 -0.045 8.464
114 2HO* C 11 2HO* C 11 -7.282 -1.261 8.062
115 H1* C 11 H1* C 11 -6.561 0.748 5.978
116 1H4 C 11 1H4 C 11 -0.247 0.257 5.603
117 2H4 C 11 2H4 C 11 -0.046 1.820 6.370
118 H5 C 11 H5 C 11 -1.909 3.097 7.257
119 H6 C 11 H6 C 11 -4.342 3.132 7.594
120 1H5* C 12 1H5* C 12 -9.011 -1.149 9.316
121 2H5* C 12 2H5* C 12 -9.207 -2.120 10.791
122 H4* C 12 H4* C 12 -9.088 -3.519 8.736
123 H3* C 12 H3* C 12 -7.020 -3.696 10.896
124 H2* C 12 H2* C 12 -5.708 -5.186 9.788
125 2HO* C 12 2HO* C 12 -6.556 -6.416 7.974
126 H1* C 12 H1* C 12 -6.219 -4.379 7.170
127 1H4 C 12 1H4 C 12 -0.338 -2.419 8.599
128 2H4 C 12 2H4 C 12 -0.983 -1.090 9.541
129 H5 C 12 H5 C 12 -3.346 -0.781 9.949
130 H6 C 12 H6 C 12 -5.586 -1.696 9.547
131 H3T C 12 H3T C 12 -9.191 -4.525 11.122
Start of MODEL 6
1 1H5* G 1 1H5* G 1 6.641 -8.206 2.698
2 2H5* G 1 2H5* G 1 5.975 -8.014 1.052
3 H4* G 1 H4* G 1 4.842 -9.804 2.292
4 H3* G 1 H3* G 1 3.360 -7.253 1.757
5 H2* G 1 H2* G 1 1.475 -7.929 2.896
6 2HO* G 1 2HO* G 1 1.963 -10.221 1.844
7 H1* G 1 H1* G 1 2.660 -9.320 4.939
8 H8 G 1 H8 G 1 4.724 -6.353 4.904
9 H1 G 1 H1 G 1 -1.130 -4.867 6.891
10 1H2 G 1 1H2 G 1 -2.542 -6.482 6.403
11 2H2 G 1 2H2 G 1 -2.035 -7.946 5.581
12 H5T G 1 H5T G 1 5.447 -6.378 3.328
13 1H5* G 2 1H5* G 2 0.457 -9.725 1.050
14 2H5* G 2 2H5* G 2 -0.283 -9.517 -0.562
15 H4* G 2 H4* G 2 -1.941 -9.348 1.231
16 H3* G 2 H3* G 2 -1.169 -6.818 -0.183
17 H2* G 2 H2* G 2 -2.531 -5.537 1.069
18 2HO* G 2 2HO* G 2 -4.410 -6.858 0.605
19 H1* G 2 H1* G 2 -2.559 -7.146 3.391
20 H8 G 2 H8 G 2 0.904 -6.037 2.574
21 H1 G 2 H1 G 2 -2.568 -1.442 5.288
22 1H2 G 2 1H2 G 2 -4.702 -2.050 5.305
23 2H2 G 2 2H2 G 2 -5.238 -3.586 4.646
24 1H5* A 3 1H5* A 3 -5.985 -7.927 -0.199
25 2H5* A 3 2H5* A 3 -6.242 -7.549 -1.916
26 H4* A 3 H4* A 3 -8.120 -6.684 -0.636
27 H3* A 3 H3* A 3 -6.129 -4.759 -1.790
28 H2* A 3 H2* A 3 -7.161 -2.901 -0.908
29 2HO* A 3 2HO* A 3 -9.342 -4.081 -1.471
30 H1* A 3 H1* A 3 -7.859 -3.914 1.534
31 H8 A 3 H8 A 3 -4.459 -5.121 0.458
32 1H6 A 3 1H6 A 3 -2.119 0.102 2.635
33 2H6 A 3 2H6 A 3 -1.769 -1.492 1.991
34 H2 A 3 H2 A 3 -6.603 0.469 2.716
35 1H5* C 4 1H5* C 4 -9.179 -2.855 -2.768
36 2H5* C 4 2H5* C 4 -9.191 -2.102 -4.375
37 H4* C 4 H4* C 4 -9.123 -0.397 -2.598
38 H3* C 4 H3* C 4 -6.736 -0.754 -4.378
39 H2* C 4 H2* C 4 -5.539 0.843 -3.330
40 2HO* C 4 2HO* C 4 -6.714 2.633 -3.344
41 H1* C 4 H1* C 4 -6.727 0.644 -0.791
42 1H4 C 4 1H4 C 4 -0.629 -1.041 -0.306
43 2H4 C 4 2H4 C 4 -1.013 -2.657 -0.865
44 H5 C 4 H5 C 4 -3.225 -3.290 -1.652
45 H6 C 4 H6 C 4 -5.508 -2.482 -2.072
46 1H5* U25 5 1H5* U5P 5 -7.799 3.785 -4.078
47 2H5* U25 5 2H5* U5P 5 -7.693 4.281 -5.780
48 H4* U25 5 H4* U5P 5 -6.412 5.795 -4.289
49 H3* U25 5 H3* U5P 5 -5.049 4.133 -6.375
50 H2* U25 5 H2* U5P 5 -2.964 4.746 -5.773
51 H1* U25 5 H1* U5P 5 -3.411 5.307 -3.051
52 H3 U25 5 HN3 U5P 5 -0.150 2.269 -2.578
53 H5 U25 5 H5 U5P 5 -3.022 0.179 -4.816
54 H6 U25 5 H6 U5P 5 -4.377 2.203 -4.850
55 3HO* U25 5 *HO3 U5P 5 -5.431 6.940 -5.997
56 1H5* U25 6 1H5* U5P 6 -1.110 7.646 -3.583
57 2H5* U25 6 2H5* U5P 6 -0.569 8.935 -4.676
58 H4* U25 6 H4* U5P 6 1.304 8.134 -3.304
59 H3* U25 6 H3* U5P 6 1.272 8.284 -6.125
60 H2* U25 6 H2* U5P 6 1.636 6.140 -6.648
61 H1* U25 6 H1* U5P 6 3.050 5.411 -4.109
62 H3 U25 6 HN3 U5P 6 2.395 1.066 -4.981
63 H5 U25 6 H5 U5P 6 -0.908 2.895 -6.847
64 H6 U25 6 H6 U5P 6 -0.054 5.049 -6.089
65 3HO* U25 6 *HO3 U5P 6 3.733 8.261 -5.479
66 1H5* C25 7 1H5* C5P 7 5.713 3.122 -7.598
67 2H5* C25 7 2H5* C5P 7 5.157 2.339 -6.105
68 H4* C25 7 H4* C5P 7 7.687 2.317 -6.624
69 H3* C25 7 H3* C5P 7 6.293 2.610 -4.130
70 H2* C25 7 H2* C5P 7 7.235 4.457 -3.335
71 H1* C25 7 H1* C5P 7 9.609 4.461 -5.131
72 1H4 C25 7 1HN4 C5P 7 8.836 10.654 -3.950
73 2H4 C25 7 2HN4 C5P 7 7.104 10.467 -3.797
74 H5 C25 7 H5 C5P 7 5.975 8.361 -4.075
75 H6 C25 7 H6 C5P 7 6.259 5.973 -4.552
76 3HO* C25 7 *HO3 C5P 7 7.906 1.210 -3.461
77 1H5* G25 8 1H5* 5GP 8 9.101 5.512 -1.048
78 2H5* G25 8 2H5* 5GP 8 9.614 4.562 0.378
79 H4* G25 8 H4* 5GP 8 8.396 6.693 0.926
80 H3* G25 8 H3* 5GP 8 7.316 3.989 1.611
81 H2* G25 8 H2* 5GP 8 5.273 4.723 2.287
82 H1* G25 8 H1* 5GP 8 4.963 6.940 0.645
83 H8 G25 8 H8 5GP 8 5.973 3.281 -0.118
84 H1 G25 8 HN1 5GP 8 0.093 4.861 -1.920
85 1H2 G25 8 1HN2 5GP 8 -0.302 6.976 -1.439
86 2H2 G25 8 2HN2 5GP 8 0.887 7.996 -0.666
87 3HO* G25 8 *HO3 5GP 8 7.795 6.188 3.329
88 1H5* G 9 1H5* G 9 3.688 8.603 2.973
89 2H5* G 9 2H5* G 9 3.165 8.654 4.680
90 H4* G 9 H4* G 9 1.352 9.268 3.148
91 H3* G 9 H3* G 9 1.154 6.570 4.468
92 H2* G 9 H2* G 9 -0.899 6.186 3.503
93 2HO* G 9 2HO* G 9 -1.477 8.547 3.988
94 H1* G 9 H1* G 9 -0.406 7.345 1.063
95 H8 G 9 H8 G 9 2.492 5.152 2.044
96 H1 G 9 H1 G 9 -2.497 1.825 -0.122
97 1H2 G 9 1H2 G 9 -4.265 3.142 -0.280
98 2H2 G 9 2H2 G 9 -4.206 4.839 0.151
99 1H5* U 10 1H5* U 10 -2.876 8.727 5.263
100 2H5* U 10 2H5* U 10 -2.974 8.472 7.016
101 H4* U 10 H4* U 10 -5.116 7.928 6.029
102 H3* U 10 H3* U 10 -3.434 5.613 6.971
103 H2* U 10 H2* U 10 -5.092 4.103 6.424
104 2HO* U 10 2HO* U 10 -6.730 5.854 7.245
105 H1* U 10 H1* U 10 -5.865 5.226 4.064
106 H3 U 10 H3 U 10 -3.859 1.274 3.082
107 H5 U 10 H5 U 10 -0.661 3.764 4.184
108 H6 U 10 H6 U 10 -2.281 5.496 4.745
109 1H5* C 11 1H5* C 11 -7.051 4.903 8.886
110 2H5* C 11 2H5* C 11 -6.865 4.010 10.408
111 H4* C 11 H4* C 11 -8.077 2.745 8.576
112 H3* C 11 H3* C 11 -5.576 1.724 9.893
113 H2* C 11 H2* C 11 -5.453 -0.118 8.544
114 2HO* C 11 2HO* C 11 -8.211 0.347 8.081
115 H1* C 11 H1* C 11 -6.392 0.959 6.201
116 1H4 C 11 1H4 C 11 -0.060 0.513 5.797
117 2H4 C 11 2H4 C 11 0.116 2.048 6.622
118 H5 C 11 H5 C 11 -1.771 3.267 7.560
119 H6 C 11 H6 C 11 -4.187 3.226 7.939
120 1H5* C 12 1H5* C 12 -8.625 -1.575 9.254
121 2H5* C 12 2H5* C 12 -8.756 -2.381 10.831
122 H4* C 12 H4* C 12 -8.603 -4.031 9.016
123 H3* C 12 H3* C 12 -6.378 -3.774 11.004
124 H2* C 12 H2* C 12 -5.034 -5.294 9.983
125 2HO* C 12 2HO* C 12 -5.904 -6.867 8.500
126 H1* C 12 H1* C 12 -5.847 -4.920 7.335
127 1H4 C 12 1H4 C 12 -0.019 -2.429 7.799
128 2H4 C 12 2H4 C 12 -0.654 -1.038 8.659
129 H5 C 12 H5 C 12 -2.948 -0.843 9.333
130 H6 C 12 H6 C 12 -5.154 -1.921 9.300
131 H3T C 12 H3T C 12 -7.928 -6.067 10.483
Start of MODEL 7
1 1H5* G 1 1H5* G 1 6.096 -9.626 4.030
2 2H5* G 1 2H5* G 1 5.858 -8.892 2.420
3 H4* G 1 H4* G 1 3.998 -10.389 3.141
4 H3* G 1 H3* G 1 3.564 -7.444 2.789
5 H2* G 1 H2* G 1 1.457 -7.471 3.591
6 2HO* G 1 2HO* G 1 0.132 -8.879 2.762
7 H1* G 1 H1* G 1 1.569 -9.626 5.317
8 H8 G 1 H8 G 1 4.204 -7.223 6.278
9 H1 G 1 H1 G 1 -1.621 -5.012 7.598
10 1H2 G 1 1H2 G 1 -3.144 -6.274 6.598
11 2H2 G 1 2H2 G 1 -2.699 -7.656 5.615
12 H5T G 1 H5T G 1 5.076 -7.009 3.613
13 1H5* G 2 1H5* G 2 0.289 -9.867 0.992
14 2H5* G 2 2H5* G 2 -0.100 -9.244 -0.637
15 H4* G 2 H4* G 2 -2.082 -9.713 0.852
16 H3* G 2 H3* G 2 -1.440 -6.984 -0.185
17 H2* G 2 H2* G 2 -3.011 -5.905 1.006
18 2HO* G 2 2HO* G 2 -4.753 -7.260 0.297
19 H1* G 2 H1* G 2 -3.139 -7.518 3.246
20 H8 G 2 H8 G 2 0.356 -6.509 2.406
21 H1 G 2 H1 G 2 -2.895 -1.870 5.294
22 1H2 G 2 1H2 G 2 -5.043 -2.406 5.365
23 2H2 G 2 2H2 G 2 -5.650 -3.914 4.703
24 1H5* A 3 1H5* A 3 -6.312 -8.157 -0.735
25 2H5* A 3 2H5* A 3 -6.379 -7.559 -2.407
26 H4* A 3 H4* A 3 -8.340 -6.775 -1.124
27 H3* A 3 H3* A 3 -6.240 -4.853 -2.081
28 H2* A 3 H2* A 3 -7.226 -3.017 -1.101
29 2HO* A 3 2HO* A 3 -9.452 -4.207 -1.748
30 H1* A 3 H1* A 3 -8.010 -4.138 1.261
31 H8 A 3 H8 A 3 -4.738 -5.528 0.126
32 1H6 A 3 1H6 A 3 -1.920 -0.621 2.448
33 2H6 A 3 2H6 A 3 -1.715 -2.206 1.730
34 H2 A 3 H2 A 3 -6.360 0.115 2.652
35 1H5* C 4 1H5* C 4 -9.216 -2.616 -2.636
36 2H5* C 4 2H5* C 4 -9.237 -1.764 -4.192
37 H4* C 4 H4* C 4 -9.094 -0.177 -2.318
38 H3* C 4 H3* C 4 -6.694 -0.469 -4.106
39 H2* C 4 H2* C 4 -5.576 1.175 -2.994
40 2HO* C 4 2HO* C 4 -7.709 2.466 -3.063
41 H1* C 4 H1* C 4 -6.696 0.721 -0.465
42 1H4 C 4 1H4 C 4 -0.532 -0.905 -0.374
43 2H4 C 4 2H4 C 4 -0.942 -2.491 -0.992
44 H5 C 4 H5 C 4 -3.191 -3.105 -1.669
45 H6 C 4 H6 C 4 -5.487 -2.305 -1.936
46 1H5* U25 5 1H5* U5P 5 -7.627 3.971 -3.826
47 2H5* U25 5 2H5* U5P 5 -7.564 4.490 -5.523
48 H4* U25 5 H4* U5P 5 -6.212 5.972 -4.102
49 H3* U25 5 H3* U5P 5 -4.861 4.209 -6.116
50 H2* U25 5 H2* U5P 5 -2.780 4.867 -5.530
51 H1* U25 5 H1* U5P 5 -3.236 5.467 -2.832
52 H3 U25 5 HN3 U5P 5 0.100 2.470 -2.522
53 H5 U25 5 H5 U5P 5 -2.995 0.259 -4.324
54 H6 U25 5 H6 U5P 5 -4.318 2.300 -4.405
55 3HO* U25 5 *HO3 U5P 5 -4.571 6.357 -7.054
56 1H5* U25 6 1H5* U5P 6 -0.827 7.914 -3.808
57 2H5* U25 6 2H5* U5P 6 -0.377 9.152 -5.000
58 H4* U25 6 H4* U5P 6 1.631 8.353 -3.883
59 H3* U25 6 H3* U5P 6 1.217 8.236 -6.696
60 H2* U25 6 H2* U5P 6 1.549 6.058 -7.053
61 H1* U25 6 H1* U5P 6 3.191 5.570 -4.595
62 H3 U25 6 HN3 U5P 6 2.432 1.164 -4.808
63 H5 U25 6 H5 U5P 6 -0.902 2.775 -6.812
64 H6 U25 6 H6 U5P 6 -0.015 4.995 -6.357
65 3HO* U25 6 *HO3 U5P 6 3.781 8.096 -5.550
66 1H5* C25 7 1H5* C5P 7 5.486 2.727 -7.557
67 2H5* C25 7 2H5* C5P 7 4.921 2.358 -5.914
68 H4* C25 7 H4* C5P 7 7.395 1.973 -6.305
69 H3* C25 7 H3* C5P 7 6.131 3.200 -4.079
70 H2* C25 7 H2* C5P 7 7.056 5.235 -4.119
71 H1* C25 7 H1* C5P 7 9.494 4.473 -5.654
72 1H4 C25 7 1HN4 C5P 7 8.928 10.612 -7.170
73 2H4 C25 7 2HN4 C5P 7 7.190 10.558 -6.997
74 H5 C25 7 H5 C5P 7 5.984 8.556 -6.385
75 H6 C25 7 H6 C5P 7 6.192 6.175 -5.823
76 3HO* C25 7 *HO3 C5P 7 8.498 2.519 -3.313
77 1H5* G25 8 1H5* 5GP 8 9.065 7.828 -1.050
78 2H5* G25 8 2H5* 5GP 8 9.993 6.895 0.157
79 H4* G25 8 H4* 5GP 8 8.026 8.125 1.074
80 H3* G25 8 H3* 5GP 8 8.049 5.116 1.106
81 H2* G25 8 H2* 5GP 8 5.978 4.995 2.047
82 H1* G25 8 H1* 5GP 8 4.901 7.398 1.025
83 H8 G25 8 H8 5GP 8 6.220 3.939 -0.097
84 H1 G25 8 HN1 5GP 8 0.271 5.250 -1.925
85 1H2 G25 8 1HN2 5GP 8 -0.225 7.347 -1.426
86 2H2 G25 8 2HN2 5GP 8 0.910 8.410 -0.632
87 3HO* G25 8 *HO3 5GP 8 8.073 6.956 3.267
88 1H5* G 9 1H5* G 9 4.057 8.362 3.712
89 2H5* G 9 2H5* G 9 3.416 8.112 5.361
90 H4* G 9 H4* G 9 1.704 8.909 3.771
91 H3* G 9 H3* G 9 1.523 6.061 4.734
92 H2* G 9 H2* G 9 -0.447 5.739 3.601
93 2HO* G 9 2HO* G 9 -1.056 8.088 4.314
94 H1* G 9 H1* G 9 0.166 7.209 1.352
95 H8 G 9 H8 G 9 3.095 5.019 2.068
96 H1 G 9 H1 G 9 -1.962 1.698 0.011
97 1H2 G 9 1H2 G 9 -3.761 3.005 0.034
98 2H2 G 9 2H2 G 9 -3.684 4.678 0.557
99 1H5* U 10 1H5* U 10 -2.449 8.054 5.320
100 2H5* U 10 2H5* U 10 -2.794 7.773 7.038
101 H4* U 10 H4* U 10 -4.804 7.371 5.732
102 H3* U 10 H3* U 10 -3.407 5.002 6.941
103 H2* U 10 H2* U 10 -4.960 3.525 6.103
104 2HO* U 10 2HO* U 10 -6.819 4.702 6.754
105 H1* U 10 H1* U 10 -5.426 4.729 3.692
106 H3 U 10 H3 U 10 -3.552 0.670 2.855
107 H5 U 10 H5 U 10 -0.318 3.114 3.970
108 H6 U 10 H6 U 10 -1.919 4.842 4.576
109 1H5* C 11 1H5* C 11 -7.158 4.782 8.696
110 2H5* C 11 2H5* C 11 -7.229 3.938 10.256
111 H4* C 11 H4* C 11 -8.253 2.645 8.366
112 H3* C 11 H3* C 11 -5.913 1.611 9.937
113 H2* C 11 H2* C 11 -5.682 -0.259 8.654
114 2HO* C 11 2HO* C 11 -7.420 -1.358 8.181
115 H1* C 11 H1* C 11 -6.561 0.734 6.205
116 1H4 C 11 1H4 C 11 -0.283 -0.124 5.798
117 2H4 C 11 2H4 C 11 -0.007 1.423 6.572
118 H5 C 11 H5 C 11 -1.789 2.771 7.493
119 H6 C 11 H6 C 11 -4.203 2.914 7.872
120 1H5* C 12 1H5* C 12 -9.199 -1.276 9.266
121 2H5* C 12 2H5* C 12 -9.502 -2.290 10.694
122 H4* C 12 H4* C 12 -9.338 -3.612 8.585
123 H3* C 12 H3* C 12 -7.420 -3.970 10.857
124 H2* C 12 H2* C 12 -6.091 -5.451 9.768
125 2HO* C 12 2HO* C 12 -6.864 -6.643 7.930
126 H1* C 12 H1* C 12 -6.437 -4.548 7.150
127 1H4 C 12 1H4 C 12 -0.552 -2.985 8.997
128 2H4 C 12 2H4 C 12 -1.175 -1.640 9.935
129 H5 C 12 H5 C 12 -3.538 -1.186 10.185
130 H6 C 12 H6 C 12 -5.796 -1.965 9.628
131 H3T C 12 H3T C 12 -9.066 -5.957 9.742
Start of MODEL 8
1 1H5* G 1 1H5* G 1 5.898 -10.528 3.985
2 2H5* G 1 2H5* G 1 5.808 -9.816 2.349
3 H4* G 1 H4* G 1 3.705 -10.939 3.128
4 H3* G 1 H3* G 1 3.785 -7.979 2.619
5 H2* G 1 H2* G 1 1.678 -7.650 3.346
6 2HO* G 1 2HO* G 1 0.116 -8.879 2.639
7 H1* G 1 H1* G 1 1.416 -9.803 5.109
8 H8 G 1 H8 G 1 4.216 -7.523 6.075
9 H1 G 1 H1 G 1 -1.508 -5.135 7.519
10 1H2 G 1 1H2 G 1 -2.713 -7.728 5.541
11 2H2 G 1 2H2 G 1 -3.091 -6.336 6.537
12 H5T G 1 H5T G 1 5.472 -8.366 4.783
13 1H5* G 2 1H5* G 2 0.281 -10.019 0.868
14 2H5* G 2 2H5* G 2 -0.108 -9.407 -0.764
15 H4* G 2 H4* G 2 -2.058 -9.621 0.824
16 H3* G 2 H3* G 2 -1.212 -6.982 -0.305
17 H2* G 2 H2* G 2 -2.679 -5.773 0.895
18 2HO* G 2 2HO* G 2 -4.521 -6.989 0.178
19 H1* G 2 H1* G 2 -2.965 -7.453 3.111
20 H8 G 2 H8 G 2 0.558 -6.424 2.445
21 H1 G 2 H1 G 2 -2.760 -1.901 5.413
22 1H2 G 2 1H2 G 2 -5.517 -3.856 4.618
23 2H2 G 2 2H2 G 2 -4.910 -2.392 5.374
24 1H5* A 3 1H5* A 3 -5.996 -8.002 -0.634
25 2H5* A 3 2H5* A 3 -6.233 -7.459 -2.309
26 H4* A 3 H4* A 3 -8.100 -6.688 -0.921
27 H3* A 3 H3* A 3 -6.114 -4.712 -1.997
28 H2* A 3 H2* A 3 -7.092 -2.905 -0.959
29 2HO* A 3 2HO* A 3 -9.315 -4.129 -1.502
30 H1* A 3 H1* A 3 -7.743 -4.059 1.434
31 H8 A 3 H8 A 3 -4.446 -5.273 0.138
32 1H6 A 3 1H6 A 3 -1.536 -1.867 1.736
33 2H6 A 3 2H6 A 3 -1.782 -0.314 2.511
34 H2 A 3 H2 A 3 -6.244 0.217 2.887
35 1H5* C 4 1H5* C 4 -9.144 -2.616 -2.468
36 2H5* C 4 2H5* C 4 -9.263 -1.731 -4.001
37 H4* C 4 H4* C 4 -9.034 -0.176 -2.115
38 H3* C 4 H3* C 4 -6.724 -0.426 -4.023
39 H2* C 4 H2* C 4 -5.544 1.182 -2.934
40 2HO* C 4 2HO* C 4 -7.714 2.462 -2.861
41 H1* C 4 H1* C 4 -6.555 0.700 -0.363
42 1H4 C 4 1H4 C 4 -0.397 -0.911 -0.522
43 2H4 C 4 2H4 C 4 -0.820 -2.488 -1.156
44 H5 C 4 H5 C 4 -3.094 -3.099 -1.775
45 H6 C 4 H6 C 4 -5.400 -2.298 -1.948
46 1H5* U25 5 1H5* U5P 5 -7.644 4.003 -3.606
47 2H5* U25 5 2H5* U5P 5 -7.639 4.569 -5.288
48 H4* U25 5 H4* U5P 5 -6.229 6.004 -3.875
49 H3* U25 5 H3* U5P 5 -4.952 4.294 -5.983
50 H2* U25 5 H2* U5P 5 -2.851 4.944 -5.451
51 H1* U25 5 H1* U5P 5 -3.225 5.473 -2.723
52 H3 U25 5 HN3 U5P 5 0.136 2.495 -2.579
53 H5 U25 5 H5 U5P 5 -2.992 0.305 -4.348
54 H6 U25 5 H6 U5P 5 -4.330 2.338 -4.344
55 3HO* U25 5 *HO3 U5P 5 -4.688 6.479 -6.863
56 1H5* U25 6 1H5* U5P 6 -0.805 7.885 -3.747
57 2H5* U25 6 2H5* U5P 6 -0.401 9.163 -4.911
58 H4* U25 6 H4* U5P 6 1.654 8.303 -3.953
59 H3* U25 6 H3* U5P 6 1.067 8.235 -6.745
60 H2* U25 6 H2* U5P 6 1.395 6.070 -7.155
61 H1* U25 6 H1* U5P 6 3.152 5.560 -4.779
62 H3 U25 6 HN3 U5P 6 2.434 1.147 -5.014
63 H5 U25 6 H5 U5P 6 -0.986 2.741 -6.879
64 H6 U25 6 H6 U5P 6 -0.116 4.966 -6.422
65 3HO* U25 6 *HO3 U5P 6 3.714 8.081 -5.937
66 1H5* C25 7 1H5* C5P 7 5.306 2.754 -7.898
67 2H5* C25 7 2H5* C5P 7 4.777 2.346 -6.252
68 H4* C25 7 H4* C5P 7 7.234 1.954 -6.692
69 H3* C25 7 H3* C5P 7 6.030 3.169 -4.428
70 H2* C25 7 H2* C5P 7 6.961 5.199 -4.475
71 H1* C25 7 H1* C5P 7 9.366 4.433 -6.063
72 1H4 C25 7 1HN4 C5P 7 8.816 10.590 -7.514
73 2H4 C25 7 2HN4 C5P 7 7.082 10.549 -7.300
74 H5 C25 7 H5 C5P 7 5.875 8.552 -6.678
75 H6 C25 7 H6 C5P 7 6.077 6.163 -6.145
76 3HO* C25 7 *HO3 C5P 7 8.413 2.472 -3.723
77 1H5* G25 8 1H5* 5GP 8 9.243 7.750 -1.465
78 2H5* G25 8 2H5* 5GP 8 10.152 6.789 -0.266
79 H4* G25 8 H4* 5GP 8 8.245 8.114 0.660
80 H3* G25 8 H3* 5GP 8 8.163 5.105 0.756
81 H2* G25 8 H2* 5GP 8 6.122 5.093 1.783
82 H1* G25 8 H1* 5GP 8 5.081 7.460 0.672
83 H8 G25 8 H8 5GP 8 6.410 4.003 -0.482
84 H1 G25 8 HN1 5GP 8 0.329 5.165 -1.943
85 1H2 G25 8 1HN2 5GP 8 -0.196 7.236 -1.392
86 2H2 G25 8 2HN2 5GP 8 0.953 8.325 -0.656
87 3HO* G25 8 *HO3 5GP 8 8.332 7.000 2.865
88 1H5* G 9 1H5* G 9 4.272 8.496 3.332
89 2H5* G 9 2H5* G 9 3.750 8.336 5.032
90 H4* G 9 H4* G 9 1.912 8.998 3.536
91 H3* G 9 H3* G 9 1.866 6.189 4.625
92 H2* G 9 H2* G 9 -0.183 5.800 3.654
93 2HO* G 9 2HO* G 9 -0.808 8.122 4.341
94 H1* G 9 H1* G 9 0.243 7.202 1.319
95 H8 G 9 H8 G 9 3.243 5.036 1.924
96 H1 G 9 H1 G 9 -1.858 1.694 -0.001
97 1H2 G 9 1H2 G 9 -3.583 4.655 0.628
98 2H2 G 9 2H2 G 9 -3.664 2.988 0.091
99 1H5* U 10 1H5* U 10 -2.200 8.238 5.357
100 2H5* U 10 2H5* U 10 -2.312 8.018 7.115
101 H4* U 10 H4* U 10 -4.473 7.538 6.130
102 H3* U 10 H3* U 10 -2.846 5.245 7.179
103 H2* U 10 H2* U 10 -4.374 3.676 6.542
104 2HO* U 10 2HO* U 10 -6.393 4.052 6.932
105 H1* U 10 H1* U 10 -5.285 4.820 4.226
106 H3 U 10 H3 U 10 -3.399 0.899 3.010
107 H5 U 10 H5 U 10 -0.109 3.278 4.092
108 H6 U 10 H6 U 10 -1.672 4.998 4.821
109 1H5* C 11 1H5* C 11 -6.584 4.865 8.980
110 2H5* C 11 2H5* C 11 -6.618 4.006 10.534
111 H4* C 11 H4* C 11 -7.792 2.802 8.650
112 H3* C 11 H3* C 11 -5.497 1.607 10.172
113 H2* C 11 H2* C 11 -5.387 -0.254 8.863
114 2HO* C 11 2HO* C 11 -7.160 -1.258 8.313
115 H1* C 11 H1* C 11 -6.261 0.807 6.442
116 1H4 C 11 1H4 C 11 -0.087 -0.507 5.909
117 2H4 C 11 2H4 C 11 0.332 0.978 6.740
118 H5 C 11 H5 C 11 -1.316 2.437 7.742
119 H6 C 11 H6 C 11 -3.707 2.776 8.149
120 1H5* C 12 1H5* C 12 -8.913 -1.137 9.418
121 2H5* C 12 2H5* C 12 -9.238 -2.165 10.832
122 H4* C 12 H4* C 12 -9.131 -3.455 8.700
123 H3* C 12 H3* C 12 -7.211 -3.914 10.951
124 H2* C 12 H2* C 12 -5.945 -5.425 9.829
125 2HO* C 12 2HO* C 12 -6.770 -6.598 8.022
126 H1* C 12 H1* C 12 -6.295 -4.478 7.223
127 1H4 C 12 1H4 C 12 -0.313 -3.143 8.942
128 2H4 C 12 2H4 C 12 -0.871 -1.817 9.947
129 H5 C 12 H5 C 12 -3.208 -1.319 10.299
130 H6 C 12 H6 C 12 -5.505 -1.996 9.769
131 H3T C 12 H3T C 12 -8.939 -5.821 9.822
Start of MODEL 9
1 1H5* G 1 1H5* G 1 6.762 -7.809 1.818
2 2H5* G 1 2H5* G 1 5.910 -7.263 0.347
3 H4* G 1 H4* G 1 4.715 -9.024 1.676
4 H3* G 1 H3* G 1 3.527 -6.273 1.390
5 H2* G 1 H2* G 1 1.710 -6.815 2.658
6 2HO* G 1 2HO* G 1 1.567 -8.938 1.432
7 H1* G 1 H1* G 1 2.893 -8.487 4.473
8 H8 G 1 H8 G 1 5.083 -5.568 4.490
9 H1 G 1 H1 G 1 -0.665 -4.060 6.809
10 1H2 G 1 1H2 G 1 -2.109 -5.667 6.329
11 2H2 G 1 2H2 G 1 -1.638 -7.106 5.443
12 H5T G 1 H5T G 1 5.216 -5.437 1.597
13 1H5* G 2 1H5* G 2 0.136 -9.323 0.673
14 2H5* G 2 2H5* G 2 -0.435 -8.817 -0.941
15 H4* G 2 H4* G 2 -2.251 -9.313 0.727
16 H3* G 2 H3* G 2 -1.870 -6.587 -0.437
17 H2* G 2 H2* G 2 -3.402 -5.572 0.861
18 2HO* G 2 2HO* G 2 -5.089 -7.077 0.262
19 H1* G 2 H1* G 2 -3.301 -7.210 3.112
20 H8 G 2 H8 G 2 0.072 -5.936 2.281
21 H1 G 2 H1 G 2 -3.469 -1.509 5.122
22 1H2 G 2 1H2 G 2 -5.577 -2.158 5.179
23 2H2 G 2 2H2 G 2 -6.101 -3.690 4.512
24 1H5* A 3 1H5* A 3 -6.969 -7.976 -0.868
25 2H5* A 3 2H5* A 3 -6.861 -7.377 -2.537
26 H4* A 3 H4* A 3 -8.871 -6.478 -1.404
27 H3* A 3 H3* A 3 -6.602 -4.677 -2.203
28 H2* A 3 H2* A 3 -7.572 -2.783 -1.319
29 2HO* A 3 2HO* A 3 -9.781 -3.783 -2.154
30 H1* A 3 H1* A 3 -8.556 -3.838 0.991
31 H8 A 3 H8 A 3 -5.293 -5.402 0.039
32 1H6 A 3 1H6 A 3 -2.378 -0.546 2.312
33 2H6 A 3 2H6 A 3 -2.209 -2.144 1.611
34 H2 A 3 H2 A 3 -6.790 0.333 2.430
35 1H5* C 4 1H5* C 4 -9.398 -2.197 -2.957
36 2H5* C 4 2H5* C 4 -9.277 -1.468 -4.571
37 H4* C 4 H4* C 4 -9.169 0.254 -2.811
38 H3* C 4 H3* C 4 -6.733 -0.298 -4.472
39 H2* C 4 H2* C 4 -5.467 1.212 -3.379
40 2HO* C 4 2HO* C 4 -6.487 3.087 -3.450
41 H1* C 4 H1* C 4 -6.769 1.129 -0.891
42 1H4 C 4 1H4 C 4 -0.832 -1.073 -0.247
43 2H4 C 4 2H4 C 4 -1.335 -2.634 -0.856
44 H5 C 4 H5 C 4 -3.566 -3.072 -1.685
45 H6 C 4 H6 C 4 -5.767 -2.089 -2.139
46 1H5* U25 5 1H5* U5P 5 -7.348 4.340 -4.321
47 2H5* U25 5 2H5* U5P 5 -7.022 4.777 -6.010
48 H4* U25 5 H4* U5P 5 -5.692 6.129 -4.396
49 H3* U25 5 H3* U5P 5 -4.341 4.287 -6.345
50 H2* U25 5 H2* U5P 5 -2.265 4.760 -5.572
51 H1* U25 5 H1* U5P 5 -2.913 5.349 -2.906
52 H3 U25 5 HN3 U5P 5 0.125 2.093 -2.326
53 H5 U25 5 H5 U5P 5 -2.872 0.184 -4.574
54 H6 U25 5 H6 U5P 5 -4.041 2.314 -4.707
55 3HO* U25 5 *HO3 U5P 5 -3.784 6.431 -7.192
56 1H5* U25 6 1H5* U5P 6 -0.189 7.536 -3.612
57 2H5* U25 6 2H5* U5P 6 0.474 8.759 -4.717
58 H4* U25 6 H4* U5P 6 2.300 7.715 -3.488
59 H3* U25 6 H3* U5P 6 2.099 7.726 -6.330
60 H2* U25 6 H2* U5P 6 2.267 5.539 -6.741
61 H1* U25 6 H1* U5P 6 3.624 4.829 -4.165
62 H3 U25 6 HN3 U5P 6 2.481 0.522 -4.593
63 H5 U25 6 H5 U5P 6 -0.443 2.487 -6.896
64 H6 U25 6 H6 U5P 6 0.568 4.602 -6.256
65 3HO* U25 6 *HO3 U5P 6 4.577 7.298 -5.154
66 1H5* C25 7 1H5* C5P 7 5.827 1.815 -6.942
67 2H5* C25 7 2H5* C5P 7 5.027 1.508 -5.387
68 H4* C25 7 H4* C5P 7 7.455 0.804 -5.484
69 H3* C25 7 H3* C5P 7 6.107 2.185 -3.403
70 H2* C25 7 H2* C5P 7 7.283 4.085 -3.308
71 H1* C25 7 H1* C5P 7 9.769 3.018 -4.554
72 1H4 C25 7 1HN4 C5P 7 10.141 9.183 -6.045
73 2H4 C25 7 2HN4 C5P 7 8.400 9.345 -6.063
74 H5 C25 7 H5 C5P 7 6.895 7.509 -5.610
75 H6 C25 7 H6 C5P 7 6.750 5.120 -5.074
76 3HO* C25 7 *HO3 C5P 7 8.100 1.184 -2.262
77 1H5* G25 8 1H5* 5GP 8 9.490 6.390 -0.065
78 2H5* G25 8 2H5* 5GP 8 10.139 5.399 1.271
79 H4* G25 8 H4* 5GP 8 8.252 6.931 1.888
80 H3* G25 8 H3* 5GP 8 7.940 3.947 2.085
81 H2* G25 8 H2* 5GP 8 5.766 4.082 2.738
82 H1* G25 8 H1* 5GP 8 5.080 6.530 1.498
83 H8 G25 8 H8 5GP 8 6.180 2.925 0.578
84 H1 G25 8 HN1 5GP 8 0.529 4.698 -1.748
85 1H2 G25 8 1HN2 5GP 8 0.164 6.825 -1.299
86 2H2 G25 8 2HN2 5GP 8 1.313 7.804 -0.421
87 3HO* G25 8 *HO3 5GP 8 7.867 5.905 4.135
88 1H5* G 9 1H5* G 9 4.097 7.725 4.415
89 2H5* G 9 2H5* G 9 3.237 7.486 5.963
90 H4* G 9 H4* G 9 1.834 8.518 4.205
91 H3* G 9 H3* G 9 1.210 5.688 5.031
92 H2* G 9 H2* G 9 -0.650 5.670 3.678
93 2HO* G 9 2HO* G 9 -1.038 8.051 4.388
94 H1* G 9 H1* G 9 0.416 7.034 1.556
95 H8 G 9 H8 G 9 2.983 4.563 2.543
96 H1 G 9 H1 G 9 -2.142 1.705 0.034
97 1H2 G 9 1H2 G 9 -3.806 3.167 -0.115
98 2H2 G 9 2H2 G 9 -3.627 4.831 0.411
99 1H5* U 10 1H5* U 10 -2.637 8.130 5.141
100 2H5* U 10 2H5* U 10 -3.077 7.931 6.850
101 H4* U 10 H4* U 10 -5.074 7.705 5.476
102 H3* U 10 H3* U 10 -3.943 5.293 6.833
103 H2* U 10 H2* U 10 -5.445 3.839 5.923
104 2HO* U 10 2HO* U 10 -7.222 5.420 6.483
105 H1* U 10 H1* U 10 -5.814 5.030 3.468
106 H3 U 10 H3 U 10 -4.142 0.868 2.732
107 H5 U 10 H5 U 10 -0.811 3.135 3.893
108 H6 U 10 H6 U 10 -2.321 4.977 4.414
109 1H5* C 11 1H5* C 11 -7.734 4.927 8.280
110 2H5* C 11 2H5* C 11 -7.783 4.185 9.892
111 H4* C 11 H4* C 11 -8.627 2.659 8.109
112 H3* C 11 H3* C 11 -6.182 1.999 9.716
113 H2* C 11 H2* C 11 -5.708 0.122 8.546
114 2HO* C 11 2HO* C 11 -7.222 -1.253 8.049
115 H1* C 11 H1* C 11 -6.760 0.816 6.052
116 1H4 C 11 1H4 C 11 -0.458 0.523 5.580
117 2H4 C 11 2H4 C 11 -0.286 2.080 6.365
118 H5 C 11 H5 C 11 -2.168 3.292 7.304
119 H6 C 11 H6 C 11 -4.598 3.258 7.677
120 1H5* C 12 1H5* C 12 -8.733 -1.519 9.292
121 2H5* C 12 2H5* C 12 -8.792 -2.426 10.817
122 H4* C 12 H4* C 12 -8.220 -3.884 8.902
123 H3* C 12 H3* C 12 -6.176 -3.392 11.050
124 H2* C 12 H2* C 12 -4.621 -4.705 10.039
125 2HO* C 12 2HO* C 12 -5.238 -6.324 8.468
126 H1* C 12 H1* C 12 -5.496 -4.355 7.366
127 1H4 C 12 1H4 C 12 0.253 -1.639 7.785
128 2H4 C 12 2H4 C 12 -0.419 -0.306 8.701
129 H5 C 12 H5 C 12 -2.719 -0.218 9.409
130 H6 C 12 H6 C 12 -4.867 -1.395 9.403
131 H3T C 12 H3T C 12 -8.143 -4.584 11.461
Start of MODEL 10
1 1H5* G 1 1H5* G 1 6.095 -9.600 4.350
2 2H5* G 1 2H5* G 1 5.897 -8.808 2.762
3 H4* G 1 H4* G 1 4.020 -10.324 3.353
4 H3* G 1 H3* G 1 3.580 -7.363 3.187
5 H2* G 1 H2* G 1 1.449 -7.452 3.916
6 2HO* G 1 2HO* G 1 0.388 -8.816 2.631
7 H1* G 1 H1* G 1 1.544 -9.697 5.534
8 H8 G 1 H8 G 1 4.148 -7.425 6.743
9 H1 G 1 H1 G 1 -1.659 -5.023 7.797
10 1H2 G 1 1H2 G 1 -3.161 -6.164 6.633
11 2H2 G 1 2H2 G 1 -2.708 -7.513 5.610
12 H5T G 1 H5T G 1 5.085 -6.972 3.989
13 1H5* G 2 1H5* G 2 0.305 -9.806 0.952
14 2H5* G 2 2H5* G 2 0.073 -8.960 -0.604
15 H4* G 2 H4* G 2 -2.039 -9.660 0.644
16 H3* G 2 H3* G 2 -1.375 -6.837 -0.086
17 H2* G 2 H2* G 2 -3.049 -5.884 1.078
18 2HO* G 2 2HO* G 2 -4.761 -7.076 0.207
19 H1* G 2 H1* G 2 -3.291 -7.631 3.175
20 H8 G 2 H8 G 2 0.257 -6.718 2.616
21 H1 G 2 H1 G 2 -2.987 -2.046 5.421
22 1H2 G 2 1H2 G 2 -5.152 -2.459 5.331
23 2H2 G 2 2H2 G 2 -5.788 -3.910 4.577
24 1H5* A 3 1H5* A 3 -6.081 -7.890 -0.773
25 2H5* A 3 2H5* A 3 -6.221 -7.260 -2.429
26 H4* A 3 H4* A 3 -8.133 -6.534 -1.016
27 H3* A 3 H3* A 3 -6.138 -4.591 -2.132
28 H2* A 3 H2* A 3 -7.066 -2.758 -1.091
29 2HO* A 3 2HO* A 3 -9.320 -3.971 -1.583
30 H1* A 3 H1* A 3 -7.710 -3.874 1.318
31 H8 A 3 H8 A 3 -4.467 -5.176 -0.030
32 1H6 A 3 1H6 A 3 -1.641 -0.319 2.414
33 2H6 A 3 2H6 A 3 -1.433 -1.870 1.624
34 H2 A 3 H2 A 3 -6.082 0.336 2.774
35 1H5* C 4 1H5* C 4 -9.147 -2.482 -2.572
36 2H5* C 4 2H5* C 4 -9.294 -1.596 -4.103
37 H4* C 4 H4* C 4 -8.987 -0.034 -2.239
38 H3* C 4 H3* C 4 -6.747 -0.365 -4.206
39 H2* C 4 H2* C 4 -5.438 1.140 -3.159
40 2HO* C 4 2HO* C 4 -6.441 2.979 -2.863
41 H1* C 4 H1* C 4 -6.457 0.798 -0.556
42 1H4 C 4 1H4 C 4 -0.364 -0.995 -0.657
43 2H4 C 4 2H4 C 4 -0.818 -2.562 -1.295
44 H5 C 4 H5 C 4 -3.101 -3.114 -1.942
45 H6 C 4 H6 C 4 -5.386 -2.253 -2.131
46 1H5* U25 5 1H5* U5P 5 -7.601 4.073 -3.661
47 2H5* U25 5 2H5* U5P 5 -7.617 4.701 -5.323
48 H4* U25 5 H4* U5P 5 -6.172 6.073 -3.870
49 H3* U25 5 H3* U5P 5 -4.975 4.449 -6.088
50 H2* U25 5 H2* U5P 5 -2.852 5.005 -5.577
51 H1* U25 5 H1* U5P 5 -3.172 5.499 -2.816
52 H3 U25 5 HN3 U5P 5 0.167 2.503 -2.668
53 H5 U25 5 H5 U5P 5 -2.891 0.387 -4.624
54 H6 U25 5 H6 U5P 5 -4.240 2.413 -4.570
55 3HO* U25 5 *HO3 U5P 5 -6.255 6.300 -6.550
56 1H5* U25 6 1H5* U5P 6 -0.850 8.026 -3.562
57 2H5* U25 6 2H5* U5P 6 -0.401 9.304 -4.708
58 H4* U25 6 H4* U5P 6 1.585 8.522 -3.497
59 H3* U25 6 H3* U5P 6 1.308 8.619 -6.308
60 H2* U25 6 H2* U5P 6 1.605 6.463 -6.818
61 H1* U25 6 H1* U5P 6 3.240 5.773 -4.405
62 H3 U25 6 HN3 U5P 6 2.480 1.408 -5.106
63 H5 U25 6 H5 U5P 6 -0.937 3.227 -6.764
64 H6 U25 6 H6 U5P 6 -0.015 5.389 -6.119
65 3HO* U25 6 *HO3 U5P 6 3.815 8.598 -5.900
66 1H5* C25 7 1H5* C5P 7 5.533 3.339 -8.018
67 2H5* C25 7 2H5* C5P 7 5.139 2.647 -6.431
68 H4* C25 7 H4* C5P 7 7.592 2.531 -7.191
69 H3* C25 7 H3* C5P 7 6.485 3.046 -4.607
70 H2* C25 7 H2* C5P 7 7.439 4.990 -4.101
71 H1* C25 7 H1* C5P 7 9.661 4.833 -6.079
72 1H4 C25 7 1HN4 C5P 7 8.857 11.113 -5.623
73 2H4 C25 7 2HN4 C5P 7 7.150 10.932 -5.296
74 H5 C25 7 H5 C5P 7 6.047 8.793 -5.188
75 H6 C25 7 H6 C5P 7 6.341 6.363 -5.375
76 3HO* C25 7 *HO3 C5P 7 8.219 1.768 -3.977
77 1H5* G25 8 1H5* 5GP 8 9.322 6.318 -1.785
78 2H5* G25 8 2H5* 5GP 8 10.022 5.285 -0.502
79 H4* G25 8 H4* 5GP 8 8.764 7.306 0.329
80 H3* G25 8 H3* 5GP 8 7.916 4.500 0.925
81 H2* G25 8 H2* 5GP 8 5.925 5.058 1.870
82 H1* G25 8 H1* 5GP 8 5.318 7.364 0.447
83 H8 G25 8 H8 5GP 8 6.379 3.789 -0.608
84 H1 G25 8 HN1 5GP 8 0.327 5.256 -1.865
85 1H2 G25 8 1HN2 5GP 8 -0.083 7.347 -1.256
86 2H2 G25 8 2HN2 5GP 8 1.137 8.363 -0.531
87 3HO* G25 8 *HO3 5GP 8 8.508 6.640 2.697
88 1H5* G 9 1H5* G 9 4.165 8.666 2.943
89 2H5* G 9 2H5* G 9 3.790 8.590 4.687
90 H4* G 9 H4* G 9 1.803 9.077 3.328
91 H3* G 9 H3* G 9 1.986 6.333 4.553
92 H2* G 9 H2* G 9 -0.055 5.747 3.722
93 2HO* G 9 2HO* G 9 -1.258 7.507 4.422
94 H1* G 9 H1* G 9 0.038 7.209 1.352
95 H8 G 9 H8 G 9 3.082 5.014 1.849
96 H1 G 9 H1 G 9 -2.068 1.803 -0.123
97 1H2 G 9 1H2 G 9 -3.849 3.124 -0.021
98 2H2 G 9 2H2 G 9 -3.745 4.784 0.534
99 1H5* U 10 1H5* U 10 -2.212 8.410 5.501
100 2H5* U 10 2H5* U 10 -2.277 8.014 7.231
101 H4* U 10 H4* U 10 -4.432 7.556 6.114
102 H3* U 10 H3* U 10 -2.787 5.302 7.228
103 H2* U 10 H2* U 10 -4.281 3.714 6.548
104 2HO* U 10 2HO* U 10 -6.327 4.040 6.812
105 H1* U 10 H1* U 10 -5.152 4.868 4.213
106 H3 U 10 H3 U 10 -3.294 0.938 2.975
107 H5 U 10 H5 U 10 0.004 3.233 4.197
108 H6 U 10 H6 U 10 -1.550 4.965 4.925
109 1H5* C 11 1H5* C 11 -6.669 4.895 8.791
110 2H5* C 11 2H5* C 11 -6.797 4.036 10.340
111 H4* C 11 H4* C 11 -7.902 2.874 8.379
112 H3* C 11 H3* C 11 -5.753 1.610 10.053
113 H2* C 11 H2* C 11 -5.621 -0.260 8.759
114 2HO* C 11 2HO* C 11 -7.377 -1.211 8.062
115 H1* C 11 H1* C 11 -6.333 0.820 6.291
116 1H4 C 11 1H4 C 11 -0.226 -0.765 5.955
117 2H4 C 11 2H4 C 11 0.241 0.706 6.791
118 H5 C 11 H5 C 11 -1.372 2.240 7.756
119 H6 C 11 H6 C 11 -3.760 2.677 8.099
120 1H5* C 12 1H5* C 12 -9.223 -0.989 9.106
121 2H5* C 12 2H5* C 12 -9.656 -2.047 10.466
122 H4* C 12 H4* C 12 -9.459 -3.267 8.291
123 H3* C 12 H3* C 12 -7.718 -3.880 10.649
124 H2* C 12 H2* C 12 -6.445 -5.415 9.558
125 2HO* C 12 2HO* C 12 -7.178 -6.491 7.676
126 H1* C 12 H1* C 12 -6.524 -4.342 6.990
127 1H4 C 12 1H4 C 12 -0.710 -3.232 9.351
128 2H4 C 12 2H4 C 12 -1.342 -1.938 10.350
129 H5 C 12 H5 C 12 -3.684 -1.385 10.473
130 H6 C 12 H6 C 12 -5.928 -1.979 9.693
131 H3T C 12 H3T C 12 -9.464 -5.644 9.313
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