NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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7530 |
1kos   |
4984 | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* C 1 1H5* C 1 -7.635 -12.558 -3.312
2 2H5* C 1 2H5* C 1 -7.544 -11.613 -4.813
3 H4* C 1 H4* C 1 -5.643 -13.844 -3.987
4 H3* C 1 H3* C 1 -5.423 -10.779 -3.750
5 H2* C 1 H2* C 1 -4.128 -10.663 -5.245
6 2HO* C 1 2HO* C 1 -2.278 -11.275 -5.135
7 H1* C 1 H1* C 1 -3.482 -13.525 -5.096
8 1H4 C 1 1H4 C 1 0.255 -11.046 -9.785
9 2H4 C 1 2H4 C 1 -1.103 -10.061 -10.269
10 H5 C 1 H5 C 1 -2.925 -10.013 -9.289
11 H6 C 1 H6 C 1 -4.490 -10.931 -7.349
12 H5T C 1 H5T C 1 -7.816 -13.593 -5.951
13 1H5* U 2 1H5* U 2 -1.530 -14.739 -0.920
14 2H5* U 2 2H5* U 2 -2.519 -14.344 0.485
15 H4* U 2 H4* U 2 -0.588 -12.851 0.127
16 H3* U 2 H3* U 2 -3.208 -11.827 0.640
17 H2* U 2 H2* U 2 -3.175 -10.602 -1.317
18 2HO* U 2 2HO* U 2 -2.364 -8.515 -0.991
19 H1* U 2 H1* U 2 -0.149 -10.464 -0.936
20 H3 U 2 H3 U 2 1.272 -8.954 -4.979
21 H5 U 2 H5 U 2 -2.952 -8.731 -5.188
22 H6 U 2 H6 U 2 -3.057 -9.818 -3.157
23 1H5* G 3 1H5* G 3 0.853 -10.653 2.887
24 2H5* G 3 2H5* G 3 0.810 -9.398 4.141
25 H4* G 3 H4* G 3 2.756 -9.121 2.641
26 H3* G 3 H3* G 3 0.556 -6.961 2.531
27 H2* G 3 H2* G 3 0.874 -6.393 0.839
28 2HO* G 3 2HO* G 3 2.457 -5.628 0.024
29 H1* G 3 H1* G 3 3.320 -7.957 0.081
30 H8 G 3 H8 G 3 -0.155 -7.965 -0.305
31 H1 G 3 H1 G 3 2.735 -5.406 -5.254
32 1H2 G 3 1H2 G 3 4.710 -5.137 -4.946
33 2H2 G 3 2H2 G 3 5.539 -5.556 -3.430
34 1H5* U 4 1H5* U 4 6.470 -5.503 1.929
35 2H5* U 4 2H5* U 4 6.140 -5.172 3.634
36 H4* U 4 H4* U 4 5.850 -3.186 2.121
37 H3* U 4 H3* U 4 3.605 -4.211 3.816
38 H2* U 4 H2* U 4 2.206 -3.955 2.505
39 2HO* U 4 2HO* U 4 1.256 -1.998 2.106
40 H1* U 4 H1* U 4 3.834 -2.133 0.641
41 H3 U 4 H3 U 4 1.738 -2.936 -3.276
42 H5 U 4 H5 U 4 -0.706 -4.811 -0.301
43 H6 U 4 H6 U 4 0.969 -4.374 1.256
44 1H5* G 5 1H5* G 5 5.056 1.481 2.349
45 2H5* G 5 2H5* G 5 3.403 1.443 1.750
46 H4* G 5 H4* G 5 5.806 0.005 0.586
47 H3* G 5 H3* G 5 4.598 2.622 0.056
48 H2* G 5 H2* G 5 3.523 2.469 -1.545
49 2HO* G 5 2HO* G 5 4.107 1.485 -3.265
50 H1* G 5 H1* G 5 4.096 -0.131 -2.494
51 H8 G 5 H8 G 5 2.344 0.768 0.213
52 H1 G 5 H1 G 5 -1.563 0.175 -4.750
53 1H2 G 5 1H2 G 5 -0.300 -0.017 -6.500
54 2H2 G 5 2H2 G 5 1.444 0.051 -6.405
55 1HM5 5MU 6 1HM5 5MU 6 1.544 4.921 -2.767
56 2HM5 5MU 6 2HM5 5MU 6 1.734 3.326 -2.071
57 3HM5 5MU 6 3HM5 5MU 6 0.475 3.577 -3.330
58 H6 5MU 6 H6 5MU 6 3.871 4.291 -2.663
59 H1* 5MU 6 H1* 5MU 6 6.726 4.472 -4.562
60 H2* 5MU 6 H2* 5MU 6 4.779 5.773 -2.888
61 H3* 5MU 6 H3* 5MU 6 5.694 5.025 -1.371
62 H4* 5MU 6 H4* 5MU 6 8.295 5.087 -2.921
63 1H5* 5MU 6 1H5* 5MU 6 9.318 3.686 -1.221
64 2H5* 5MU 6 2H5* 5MU 6 8.975 5.322 -0.646
65 2HO* 5MU 6 2HO* 5MU 6 5.055 6.245 -4.456
66 H3 5MU 6 H3 5MU 6 3.385 2.363 -6.965
67 1H5* U 7 1H5* U 7 4.841 10.176 -3.492
68 2H5* U 7 2H5* U 7 3.646 9.832 -2.235
69 H4* U 7 H4* U 7 2.693 10.342 -4.303
70 H3* U 7 H3* U 7 1.904 8.094 -2.899
71 H2* U 7 H2* U 7 3.269 6.932 -4.387
72 2HO* U 7 2HO* U 7 2.338 5.577 -5.494
73 H1* U 7 H1* U 7 1.710 8.285 -6.708
74 H3 U 7 H3 U 7 4.405 5.653 -9.535
75 H5 U 7 H5 U 7 6.829 6.701 -6.230
76 H6 U 7 H6 U 7 4.726 7.887 -5.293
77 1H5* C 8 1H5* C 8 -2.551 7.876 -2.732
78 2H5* C 8 2H5* C 8 -0.910 8.096 -2.244
79 H4* C 8 H4* C 8 -2.045 5.310 -2.230
80 H3* C 8 H3* C 8 -3.335 7.385 -0.952
81 H2* C 8 H2* C 8 -1.857 8.201 -0.317
82 2HO* C 8 2HO* C 8 -2.349 8.935 1.051
83 H1* C 8 H1* C 8 -0.366 5.967 1.086
84 1H4 C 8 1H4 C 8 4.324 10.361 1.059
85 2H4 C 8 2H4 C 8 3.333 11.463 0.131
86 H5 C 8 H5 C 8 1.062 10.858 -0.704
87 H6 C 8 H6 C 8 -0.556 9.169 -0.811
88 1H5* G 9 1H5* G 9 -5.120 4.488 -3.313
89 2H5* G 9 2H5* G 9 -4.887 6.215 -2.969
90 H4* G 9 H4* G 9 -7.586 4.795 -2.932
91 H3* G 9 H3* G 9 -6.374 5.342 -5.217
92 H2* G 9 H2* G 9 -6.027 7.646 -4.604
93 2HO* G 9 2HO* G 9 -7.202 7.596 -6.622
94 H1* G 9 H1* G 9 -8.928 7.645 -3.593
95 H8 G 9 H8 G 9 -5.728 7.937 -1.810
96 H1 G 9 H1 G 9 -8.296 13.759 -2.534
97 1H2 G 9 1H2 G 9 -10.079 13.601 -3.870
98 2H2 G 9 2H2 G 9 -10.605 12.081 -4.558
99 1H5* A 10 1H5* A 10 -10.663 3.162 -8.091
100 2H5* A 10 2H5* A 10 -11.686 2.770 -6.701
101 H4* A 10 H4* A 10 -10.341 0.745 -7.096
102 H3* A 10 H3* A 10 -10.217 2.114 -4.657
103 H2* A 10 H2* A 10 -8.068 2.712 -4.931
104 2HO* A 10 2HO* A 10 -7.936 -0.020 -4.383
105 H1* A 10 H1* A 10 -7.469 0.143 -6.593
106 H8 A 10 H8 A 10 -5.772 2.252 -4.604
107 1H6 A 10 1H6 A 10 -1.759 3.781 -9.084
108 2H6 A 10 2H6 A 10 -2.037 3.788 -7.355
109 H2 A 10 H2 A 10 -5.375 1.936 -10.970
110 1H5* U 11 1H5* U 11 -10.135 -2.373 -5.246
111 2H5* U 11 2H5* U 11 -11.413 -3.577 -5.104
112 H4* U 11 H4* U 11 -9.548 -2.818 -2.807
113 H3* U 11 H3* U 11 -9.241 -5.155 -4.814
114 H2* U 11 H2* U 11 -8.152 -6.297 -3.155
115 2HO* U 11 2HO* U 11 -7.812 -5.479 -1.158
116 H1* U 11 H1* U 11 -10.039 -5.775 -1.372
117 H3 U 11 H3 U 11 -12.892 -8.094 -5.055
118 H5 U 11 H5 U 11 -9.996 -10.187 -2.827
119 H6 U 11 H6 U 11 -9.220 -8.051 -1.953
120 1H5* CH 12 1H5* CH 12 -9.436 -2.272 -7.536
121 2H5* CH 12 2H5* CH 12 -8.675 -3.630 -6.696
122 H4* CH 12 H4* CH 12 -7.243 -1.501 -8.317
123 H3* CH 12 H3* CH 12 -8.346 -3.631 -9.531
124 H2* CH 12 H2* CH 12 -7.553 -5.116 -7.780
125 2HO* CH 12 2HO* CH 12 -6.053 -6.490 -8.689
126 H1* CH 12 H1* CH 12 -4.844 -3.677 -8.250
127 HN3 CH 12 HN3 CH 12 -2.294 -5.211 -4.840
128 1H4 CH 12 1H4 CH 12 -2.495 -6.682 -3.095
129 2H4 CH 12 2H4 CH 12 -4.015 -7.470 -2.737
130 H5 CH 12 H5 CH 12 -6.031 -7.088 -4.091
131 H6 CH 12 H6 CH 12 -6.951 -5.842 -5.981
132 1H5* C 13 1H5* C 13 -5.894 -1.059 -12.780
133 2H5* C 13 2H5* C 13 -4.696 -1.714 -13.907
134 H4* C 13 H4* C 13 -3.864 0.123 -12.308
135 H3* C 13 H3* C 13 -2.504 -2.656 -12.414
136 H2* C 13 H2* C 13 -3.031 -2.543 -10.300
137 2HO* C 13 2HO* C 13 -1.440 -2.454 -9.279
138 H1* C 13 H1* C 13 -2.258 0.382 -10.474
139 1H4 C 13 1H4 C 13 -3.132 -0.213 -4.008
140 2H4 C 13 2H4 C 13 -4.782 -0.607 -4.414
141 H5 C 13 H5 C 13 -5.577 -1.080 -6.677
142 H6 C 13 H6 C 13 -4.876 -0.963 -9.134
143 1H5* A 14 1H5* A 14 0.931 1.322 -12.099
144 2H5* A 14 2H5* A 14 1.876 0.662 -13.453
145 H4* A 14 H4* A 14 3.316 1.677 -11.791
146 H3* A 14 H3* A 14 3.696 -0.985 -12.723
147 H2* A 14 H2* A 14 2.981 -1.850 -11.092
148 2HO* A 14 2HO* A 14 4.349 -3.072 -10.694
149 H1* A 14 H1* A 14 4.448 -0.121 -9.033
150 H8 A 14 H8 A 14 1.279 -2.003 -10.129
151 1H6 A 14 1H6 A 14 0.424 -3.565 -4.308
152 2H6 A 14 2H6 A 14 -0.143 -3.652 -5.955
153 H2 A 14 H2 A 14 4.148 -0.928 -4.506
154 1H5* C 15 1H5* C 15 8.265 -0.927 -11.504
155 2H5* C 15 2H5* C 15 6.638 -1.557 -11.196
156 H4* C 15 H4* C 15 8.796 -1.122 -9.092
157 H3* C 15 H3* C 15 7.463 -3.607 -10.344
158 H2* C 15 H2* C 15 7.281 -4.577 -8.620
159 2HO* C 15 2HO* C 15 8.254 -4.873 -7.254
160 H1* C 15 H1* C 15 7.335 -2.418 -6.662
161 1H4 C 15 1H4 C 15 1.582 -5.491 -6.522
162 2H4 C 15 2H4 C 15 1.773 -5.361 -8.240
163 H5 C 15 H5 C 15 3.220 -4.493 -9.401
164 H6 C 15 H6 C 15 5.471 -3.321 -9.529
165 1H5* A 16 1H5* A 16 10.994 -5.178 -7.036
166 2H5* A 16 2H5* A 16 11.835 -6.454 -7.933
167 H4* A 16 H4* A 16 10.243 -7.345 -6.232
168 H3* A 16 H3* A 16 9.727 -8.005 -9.175
169 H2* A 16 H2* A 16 7.786 -8.130 -8.974
170 2HO* A 16 2HO* A 16 6.832 -9.493 -7.434
171 H1* A 16 H1* A 16 7.562 -7.877 -5.927
172 H8 A 16 H8 A 16 6.464 -6.401 -9.105
173 1H6 A 16 1H6 A 16 0.868 -8.024 -6.906
174 2H6 A 16 2H6 A 16 1.708 -7.282 -8.250
175 H2 A 16 H2 A 16 4.014 -9.237 -3.934
176 1H5* G 17 1H5* G 17 9.967 -11.803 -6.387
177 2H5* G 17 2H5* G 17 10.254 -13.314 -7.275
178 H4* G 17 H4* G 17 8.136 -13.197 -5.780
179 H3* G 17 H3* G 17 7.868 -13.785 -8.685
180 H2* G 17 H2* G 17 6.139 -12.983 -8.787
181 2HO* G 17 2HO* G 17 4.141 -13.473 -8.082
182 H1* G 17 H1* G 17 5.706 -12.657 -5.769
183 H8 G 17 H8 G 17 6.592 -10.763 -8.633
184 H1 G 17 H1 G 17 0.335 -10.970 -7.501
185 1H2 G 17 1H2 G 17 0.015 -12.398 -5.794
186 2H2 G 17 2H2 G 17 1.385 -13.098 -4.968
187 H3T G 17 H3T G 17 7.220 -15.272 -6.293
Start of MODEL 2
1 1H5* C 1 1H5* C 1 -7.377 -12.781 -4.886
2 2H5* C 1 2H5* C 1 -6.669 -14.341 -4.419
3 H4* C 1 H4* C 1 -4.889 -13.173 -3.214
4 H3* C 1 H3* C 1 -6.240 -10.469 -3.681
5 H2* C 1 H2* C 1 -5.664 -10.840 -5.654
6 2HO* C 1 2HO* C 1 -4.894 -8.906 -4.262
7 H1* C 1 H1* C 1 -3.084 -11.598 -4.384
8 1H4 C 1 1H4 C 1 -0.117 -10.399 -9.942
9 2H4 C 1 2H4 C 1 -1.555 -9.550 -10.453
10 H5 C 1 H5 C 1 -3.275 -9.415 -9.334
11 H6 C 1 H6 C 1 -4.666 -9.996 -7.164
12 H5T C 1 H5T C 1 -7.617 -12.350 -2.640
13 1H5* U 2 1H5* U 2 -3.541 -14.577 -0.931
14 2H5* U 2 2H5* U 2 -3.989 -13.959 0.659
15 H4* U 2 H4* U 2 -1.626 -13.637 0.046
16 H3* U 2 H3* U 2 -3.233 -11.592 1.126
17 H2* U 2 H2* U 2 -3.006 -10.377 -0.743
18 2HO* U 2 2HO* U 2 -1.698 -8.783 -0.622
19 H1* U 2 H1* U 2 -0.170 -11.442 -0.988
20 H3 U 2 H3 U 2 0.988 -9.393 -4.926
21 H5 U 2 H5 U 2 -3.172 -8.634 -4.480
22 H6 U 2 H6 U 2 -3.175 -9.859 -2.600
23 1H5* G 3 1H5* G 3 1.601 -11.800 2.361
24 2H5* G 3 2H5* G 3 1.787 -10.747 3.779
25 H4* G 3 H4* G 3 3.638 -10.395 2.169
26 H3* G 3 H3* G 3 1.603 -8.133 2.610
27 H2* G 3 H2* G 3 1.705 -7.366 0.976
28 2HO* G 3 2HO* G 3 3.169 -6.493 0.071
29 H1* G 3 H1* G 3 3.976 -8.866 -0.312
30 H8 G 3 H8 G 3 0.472 -8.748 -0.185
31 H1 G 3 H1 G 3 2.670 -5.640 -5.167
32 1H2 G 3 1H2 G 3 4.700 -5.461 -5.127
33 2H2 G 3 2H2 G 3 5.707 -6.073 -3.804
34 1H5* U 4 1H5* U 4 7.377 -6.674 1.350
35 2H5* U 4 2H5* U 4 7.291 -6.549 3.113
36 H4* U 4 H4* U 4 6.900 -4.385 1.897
37 H3* U 4 H3* U 4 4.910 -5.496 3.816
38 H2* U 4 H2* U 4 3.361 -5.234 2.690
39 2HO* U 4 2HO* U 4 2.321 -3.198 2.675
40 H1* U 4 H1* U 4 4.683 -3.095 0.920
41 H3 U 4 H3 U 4 2.053 -3.321 -2.742
42 H5 U 4 H5 U 4 0.032 -5.651 0.233
43 H6 U 4 H6 U 4 1.928 -5.432 1.596
44 1H5* G 5 1H5* G 5 5.241 0.570 3.119
45 2H5* G 5 2H5* G 5 3.646 0.109 2.512
46 H4* G 5 H4* G 5 6.272 -0.236 1.050
47 H3* G 5 H3* G 5 4.139 1.786 1.050
48 H2* G 5 H2* G 5 3.201 1.768 -0.668
49 2HO* G 5 2HO* G 5 3.990 1.007 -2.541
50 H1* G 5 H1* G 5 4.500 -0.523 -1.906
51 H8 G 5 H8 G 5 2.752 -0.776 0.753
52 H1 G 5 H1 G 5 -1.211 -0.135 -4.175
53 1H2 G 5 1H2 G 5 0.101 0.566 -5.858
54 2H2 G 5 2H2 G 5 1.808 0.865 -5.635
55 1HM5 5MU 6 1HM5 5MU 6 6.542 -0.009 -1.306
56 2HM5 5MU 6 2HM5 5MU 6 7.518 0.897 -0.156
57 3HM5 5MU 6 3HM5 5MU 6 8.245 -0.490 -1.056
58 H6 5MU 6 H6 5MU 6 6.235 2.358 -1.498
59 H1* 5MU 6 H1* 5MU 6 5.601 4.554 -4.055
60 H2* 5MU 6 H2* 5MU 6 4.851 2.988 -2.257
61 H3* 5MU 6 H3* 5MU 6 4.642 3.924 -0.739
62 H4* 5MU 6 H4* 5MU 6 5.501 6.636 -0.837
63 1H5* 5MU 6 1H5* 5MU 6 7.280 4.201 -0.574
64 2H5* 5MU 6 2H5* 5MU 6 7.553 5.814 0.068
65 2HO* 5MU 6 2HO* 5MU 6 4.270 2.618 -3.587
66 H3 5MU 6 H3 5MU 6 9.781 2.212 -4.699
67 1H5* U 7 1H5* U 7 4.768 9.402 -1.937
68 2H5* U 7 2H5* U 7 3.094 9.056 -1.494
69 H4* U 7 H4* U 7 3.327 10.772 -3.062
70 H3* U 7 H3* U 7 1.460 8.838 -3.382
71 H2* U 7 H2* U 7 3.122 7.679 -4.671
72 2HO* U 7 2HO* U 7 2.660 7.174 -6.434
73 H1* U 7 H1* U 7 3.501 10.041 -6.555
74 H3 U 7 H3 U 7 6.858 7.441 -8.486
75 H5 U 7 H5 U 7 6.942 6.380 -4.396
76 H6 U 7 H6 U 7 4.937 8.061 -4.136
77 1H5* C 8 1H5* C 8 -2.615 9.166 -4.498
78 2H5* C 8 2H5* C 8 -1.282 9.404 -3.466
79 H4* C 8 H4* C 8 -2.056 6.628 -4.473
80 H3* C 8 H3* C 8 -3.739 8.244 -3.061
81 H2* C 8 H2* C 8 -2.472 8.795 -1.868
82 2HO* C 8 2HO* C 8 -3.336 9.226 -0.618
83 H1* C 8 H1* C 8 -1.508 6.112 -0.851
84 1H4 C 8 1H4 C 8 2.837 9.925 2.022
85 2H4 C 8 2H4 C 8 2.296 11.295 1.078
86 H5 C 8 H5 C 8 0.506 11.113 -0.669
87 H6 C 8 H6 C 8 -1.006 9.632 -1.719
88 1H5* G 9 1H5* G 9 -6.491 4.699 -3.809
89 2H5* G 9 2H5* G 9 -6.216 6.337 -4.433
90 H4* G 9 H4* G 9 -8.745 5.388 -3.028
91 H3* G 9 H3* G 9 -8.142 4.653 -5.487
92 H2* G 9 H2* G 9 -7.694 6.918 -6.148
93 2HO* G 9 2HO* G 9 -9.440 7.644 -7.456
94 H1* G 9 H1* G 9 -10.279 7.695 -4.686
95 H8 G 9 H8 G 9 -6.738 8.475 -4.030
96 H1 G 9 H1 G 9 -9.508 13.473 -6.917
97 1H2 G 9 1H2 G 9 -11.564 12.881 -7.573
98 2H2 G 9 2H2 G 9 -12.213 11.282 -7.289
99 1H5* A 10 1H5* A 10 -10.574 2.332 -8.620
100 2H5* A 10 2H5* A 10 -11.669 2.040 -7.259
101 H4* A 10 H4* A 10 -9.916 0.208 -7.397
102 H3* A 10 H3* A 10 -10.428 1.715 -5.010
103 H2* A 10 H2* A 10 -8.479 2.658 -4.907
104 2HO* A 10 2HO* A 10 -7.916 -0.032 -4.308
105 H1* A 10 H1* A 10 -7.083 0.336 -6.347
106 H8 A 10 H8 A 10 -6.088 2.489 -4.225
107 1H6 A 10 1H6 A 10 -2.355 5.651 -8.019
108 2H6 A 10 2H6 A 10 -2.728 5.304 -6.345
109 H2 A 10 H2 A 10 -5.261 3.310 -10.497
110 1H5* U 11 1H5* U 11 -9.692 -3.159 -5.103
111 2H5* U 11 2H5* U 11 -10.952 -4.313 -4.703
112 H4* U 11 H4* U 11 -9.412 -2.832 -2.537
113 H3* U 11 H3* U 11 -8.626 -5.528 -3.809
114 H2* U 11 H2* U 11 -7.622 -5.984 -1.718
115 2HO* U 11 2HO* U 11 -7.741 -4.531 -0.043
116 H1* U 11 H1* U 11 -9.826 -5.258 -0.421
117 H3 U 11 H3 U 11 -11.785 -9.089 -3.323
118 H5 U 11 H5 U 11 -8.848 -9.825 -0.392
119 H6 U 11 H6 U 11 -8.536 -7.440 -0.193
120 1H5* CH 12 1H5* CH 12 -8.176 -1.266 -6.586
121 2H5* CH 12 2H5* CH 12 -9.198 -2.453 -7.381
122 H4* CH 12 H4* CH 12 -7.110 -1.550 -8.639
123 H3* CH 12 H3* CH 12 -8.252 -3.938 -9.168
124 H2* CH 12 H2* CH 12 -7.308 -4.971 -7.222
125 2HO* CH 12 2HO* CH 12 -5.815 -6.521 -8.041
126 H1* CH 12 H1* CH 12 -4.653 -3.784 -8.266
127 HN3 CH 12 HN3 CH 12 -1.708 -4.775 -5.046
128 1H4 CH 12 1H4 CH 12 -1.651 -6.014 -3.128
129 2H4 CH 12 2H4 CH 12 -3.098 -6.737 -2.465
130 H5 CH 12 H5 CH 12 -5.310 -6.466 -3.549
131 H6 CH 12 H6 CH 12 -6.480 -5.464 -5.407
132 1H5* C 13 1H5* C 13 -6.027 0.591 -11.217
133 2H5* C 13 2H5* C 13 -5.371 -0.325 -12.589
134 H4* C 13 H4* C 13 -3.940 1.347 -11.782
135 H3* C 13 H3* C 13 -2.980 -1.277 -12.133
136 H2* C 13 H2* C 13 -2.878 -1.429 -9.950
137 2HO* C 13 2HO* C 13 -1.139 -2.001 -9.556
138 H1* C 13 H1* C 13 -1.476 1.281 -9.659
139 1H4 C 13 1H4 C 13 -2.728 -0.956 -3.656
140 2H4 C 13 2H4 C 13 -4.327 -1.419 -4.191
141 H5 C 13 H5 C 13 -5.084 -1.257 -6.519
142 H6 C 13 H6 C 13 -4.388 -0.378 -8.822
143 1H5* A 14 1H5* A 14 0.591 2.330 -11.157
144 2H5* A 14 2H5* A 14 1.580 1.899 -12.569
145 H4* A 14 H4* A 14 3.028 2.326 -10.682
146 H3* A 14 H3* A 14 3.004 -0.239 -12.045
147 H2* A 14 H2* A 14 2.303 -1.214 -10.477
148 2HO* A 14 2HO* A 14 3.637 -2.560 -10.274
149 H1* A 14 H1* A 14 3.999 0.277 -8.397
150 H8 A 14 H8 A 14 0.717 -1.425 -9.315
151 1H6 A 14 1H6 A 14 0.587 -3.787 -3.662
152 2H6 A 14 2H6 A 14 -0.198 -3.683 -5.215
153 H2 A 14 H2 A 14 4.310 -1.225 -4.029
154 1H5* C 15 1H5* C 15 7.450 0.315 -10.263
155 2H5* C 15 2H5* C 15 8.439 -0.763 -11.268
156 H4* C 15 H4* C 15 8.614 -1.404 -8.900
157 H3* C 15 H3* C 15 6.970 -3.436 -10.521
158 H2* C 15 H2* C 15 6.741 -4.594 -8.902
159 2HO* C 15 2HO* C 15 7.694 -5.045 -7.461
160 H1* C 15 H1* C 15 7.176 -2.591 -6.781
161 1H4 C 15 1H4 C 15 1.321 -5.421 -6.207
162 2H4 C 15 2H4 C 15 1.270 -5.108 -7.909
163 H5 C 15 H5 C 15 2.645 -4.154 -9.176
164 H6 C 15 H6 C 15 4.962 -3.082 -9.434
165 1H5* A 16 1H5* A 16 10.662 -5.750 -7.575
166 2H5* A 16 2H5* A 16 11.287 -6.958 -8.714
167 H4* A 16 H4* A 16 9.762 -7.929 -6.953
168 H3* A 16 H3* A 16 8.979 -8.044 -9.885
169 H2* A 16 H2* A 16 7.024 -8.128 -9.612
170 2HO* A 16 2HO* A 16 5.936 -9.537 -8.373
171 H1* A 16 H1* A 16 7.057 -8.224 -6.559
172 H8 A 16 H8 A 16 5.810 -6.231 -9.437
173 1H6 A 16 1H6 A 16 0.343 -7.909 -6.921
174 2H6 A 16 2H6 A 16 1.087 -7.018 -8.231
175 H2 A 16 H2 A 16 3.735 -9.704 -4.509
176 1H5* G 17 1H5* G 17 9.797 -14.142 -8.808
177 2H5* G 17 2H5* G 17 9.327 -12.871 -9.947
178 H4* G 17 H4* G 17 7.847 -13.292 -7.332
179 H3* G 17 H3* G 17 7.194 -14.276 -10.096
180 H2* G 17 H2* G 17 5.501 -13.335 -10.095
181 2HO* G 17 2HO* G 17 3.642 -13.372 -8.935
182 H1* G 17 H1* G 17 5.715 -12.433 -7.164
183 H8 G 17 H8 G 17 6.252 -11.118 -10.329
184 H1 G 17 H1 G 17 0.415 -10.230 -8.053
185 1H2 G 17 1H2 G 17 0.295 -11.450 -6.170
186 2H2 G 17 2H2 G 17 1.692 -12.315 -5.577
187 H3T G 17 H3T G 17 6.717 -15.453 -7.495
Start of MODEL 3
1 1H5* C 1 1H5* C 1 -8.150 -12.536 -4.388
2 2H5* C 1 2H5* C 1 -7.822 -11.786 -2.811
3 H4* C 1 H4* C 1 -6.099 -13.448 -3.381
4 H3* C 1 H3* C 1 -5.342 -10.487 -3.152
5 H2* C 1 H2* C 1 -4.032 -10.549 -4.589
6 2HO* C 1 2HO* C 1 -2.337 -11.528 -4.591
7 H1* C 1 H1* C 1 -3.736 -13.472 -4.528
8 1H4 C 1 1H4 C 1 -0.175 -11.071 -9.455
9 2H4 C 1 2H4 C 1 -1.541 -10.060 -9.854
10 H5 C 1 H5 C 1 -3.309 -9.954 -8.727
11 H6 C 1 H6 C 1 -4.703 -10.852 -6.643
12 H5T C 1 H5T C 1 -7.172 -10.674 -5.346
13 1H5* U 2 1H5* U 2 -1.310 -14.851 -1.543
14 2H5* U 2 2H5* U 2 -2.180 -14.633 -0.017
15 H4* U 2 H4* U 2 -0.118 -13.252 -0.224
16 H3* U 2 H3* U 2 -2.653 -12.131 0.551
17 H2* U 2 H2* U 2 -2.651 -10.683 -1.145
18 2HO* U 2 2HO* U 2 -1.739 -8.702 -0.660
19 H1* U 2 H1* U 2 0.415 -10.702 -1.098
20 H3 U 2 H3 U 2 1.352 -9.059 -5.240
21 H5 U 2 H5 U 2 -2.865 -8.602 -4.823
22 H6 U 2 H6 U 2 -2.733 -9.757 -2.851
23 1H5* G 3 1H5* G 3 1.595 -11.234 2.628
24 2H5* G 3 2H5* G 3 1.655 -10.037 3.936
25 H4* G 3 H4* G 3 3.482 -9.725 2.280
26 H3* G 3 H3* G 3 1.350 -7.500 2.466
27 H2* G 3 H2* G 3 1.567 -6.831 0.797
28 2HO* G 3 2HO* G 3 3.131 -6.173 -0.149
29 H1* G 3 H1* G 3 3.827 -8.484 -0.294
30 H8 G 3 H8 G 3 0.345 -8.307 -0.340
31 H1 G 3 H1 G 3 2.965 -5.617 -5.371
32 1H2 G 3 1H2 G 3 4.969 -5.463 -5.202
33 2H2 G 3 2H2 G 3 5.874 -5.973 -3.764
34 1H5* U 4 1H5* U 4 7.251 -6.382 1.465
35 2H5* U 4 2H5* U 4 7.093 -6.020 3.188
36 H4* U 4 H4* U 4 6.903 -4.052 1.660
37 H3* U 4 H3* U 4 4.774 -4.692 3.626
38 H2* U 4 H2* U 4 3.259 -4.425 2.436
39 2HO* U 4 2HO* U 4 2.401 -2.443 1.955
40 H1* U 4 H1* U 4 4.788 -2.811 0.344
41 H3 U 4 H3 U 4 2.190 -3.335 -3.229
42 H5 U 4 H5 U 4 -0.046 -5.077 -0.031
43 H6 U 4 H6 U 4 1.869 -4.842 1.334
44 1H5* G 5 1H5* G 5 6.673 -2.102 1.261
45 2H5* G 5 2H5* G 5 7.448 -0.557 1.600
46 H4* G 5 H4* G 5 6.772 -1.041 -0.836
47 H3* G 5 H3* G 5 5.503 1.484 0.362
48 H2* G 5 H2* G 5 4.227 1.676 -1.063
49 2HO* G 5 2HO* G 5 4.539 1.051 -3.123
50 H1* G 5 H1* G 5 4.801 -0.710 -2.609
51 H8 G 5 H8 G 5 3.315 -0.392 0.318
52 H1 G 5 H1 G 5 -1.019 -0.148 -4.328
53 1H2 G 5 1H2 G 5 0.205 0.036 -6.191
54 2H2 G 5 2H2 G 5 1.946 0.155 -6.138
55 1HM5 5MU 6 1HM5 5MU 6 0.721 2.484 -2.099
56 2HM5 5MU 6 2HM5 5MU 6 1.698 3.794 -1.335
57 3HM5 5MU 6 3HM5 5MU 6 2.251 2.154 -1.185
58 H6 5MU 6 H6 5MU 6 4.058 3.552 -1.748
59 H1* 5MU 6 H1* 5MU 6 6.530 4.701 -3.744
60 H2* 5MU 6 H2* 5MU 6 4.494 5.341 -1.753
61 H3* 5MU 6 H3* 5MU 6 5.671 4.997 -0.429
62 H4* 5MU 6 H4* 5MU 6 8.232 4.960 -1.996
63 1H5* 5MU 6 1H5* 5MU 6 8.540 4.895 0.458
64 2H5* 5MU 6 2H5* 5MU 6 7.273 3.667 0.601
65 2HO* 5MU 6 2HO* 5MU 6 4.445 5.855 -3.480
66 H3 5MU 6 H3 5MU 6 3.005 3.097 -6.334
67 1H5* U 7 1H5* U 7 4.674 7.695 -2.418
68 2H5* U 7 2H5* U 7 4.621 9.406 -2.007
69 H4* U 7 H4* U 7 2.408 9.377 -1.608
70 H3* U 7 H3* U 7 2.545 6.726 -0.818
71 H2* U 7 H2* U 7 2.946 6.235 -2.995
72 2HO* U 7 2HO* U 7 1.860 4.990 -3.810
73 H1* U 7 H1* U 7 0.426 7.728 -3.963
74 H3 U 7 H3 U 7 1.785 5.966 -8.098
75 H5 U 7 H5 U 7 5.348 6.907 -6.024
76 H6 U 7 H6 U 7 3.823 7.651 -4.098
77 1H5* C 8 1H5* C 8 -1.783 7.862 -3.578
78 2H5* C 8 2H5* C 8 -1.124 8.366 -2.104
79 H4* C 8 H4* C 8 -3.884 7.108 -2.384
80 H3* C 8 H3* C 8 -3.063 9.561 -3.356
81 H2* C 8 H2* C 8 -2.227 9.961 -1.827
82 2HO* C 8 2HO* C 8 -2.112 11.487 -2.021
83 H1* C 8 H1* C 8 -3.998 9.646 0.478
84 1H4 C 8 1H4 C 8 1.628 9.488 3.639
85 2H4 C 8 2H4 C 8 2.485 9.889 2.167
86 H5 C 8 H5 C 8 1.380 10.090 -0.012
87 H6 C 8 H6 C 8 -0.667 9.951 -1.176
88 1H5* G 9 1H5* G 9 -5.483 5.631 -3.831
89 2H5* G 9 2H5* G 9 -5.148 7.268 -4.411
90 H4* G 9 H4* G 9 -7.930 6.086 -4.161
91 H3* G 9 H3* G 9 -6.221 5.308 -6.049
92 H2* G 9 H2* G 9 -5.897 7.466 -6.929
93 2HO* G 9 2HO* G 9 -7.226 7.677 -8.822
94 H1* G 9 H1* G 9 -8.896 7.998 -6.552
95 H8 G 9 H8 G 9 -6.034 9.380 -4.744
96 H1 G 9 H1 G 9 -8.056 13.553 -9.155
97 1H2 G 9 1H2 G 9 -9.586 12.548 -10.446
98 2H2 G 9 2H2 G 9 -10.070 10.887 -10.199
99 1H5* A 10 1H5* A 10 -10.778 3.097 -7.580
100 2H5* A 10 2H5* A 10 -11.604 2.446 -6.157
101 H4* A 10 H4* A 10 -9.804 0.849 -6.777
102 H3* A 10 H3* A 10 -9.873 2.163 -4.162
103 H2* A 10 H2* A 10 -7.829 3.014 -4.391
104 2HO* A 10 2HO* A 10 -7.236 0.245 -4.234
105 H1* A 10 H1* A 10 -7.074 0.780 -6.378
106 H8 A 10 H8 A 10 -5.464 2.806 -4.199
107 1H6 A 10 1H6 A 10 -1.719 5.114 -8.552
108 2H6 A 10 2H6 A 10 -1.952 4.904 -6.831
109 H2 A 10 H2 A 10 -5.231 3.201 -10.573
110 1H5* U 11 1H5* U 11 -11.161 -3.696 -4.094
111 2H5* U 11 2H5* U 11 -11.766 -2.838 -2.665
112 H4* U 11 H4* U 11 -9.772 -3.508 -1.380
113 H3* U 11 H3* U 11 -8.884 -5.089 -3.880
114 H2* U 11 H2* U 11 -8.014 -6.691 -2.543
115 2HO* U 11 2HO* U 11 -8.138 -6.625 -0.350
116 H1* U 11 H1* U 11 -10.199 -6.881 -1.073
117 H3 U 11 H3 U 11 -12.270 -7.802 -5.753
118 H5 U 11 H5 U 11 -9.637 -10.499 -3.882
119 H6 U 11 H6 U 11 -9.152 -8.789 -2.229
120 1H5* CH 12 1H5* CH 12 -7.957 -0.923 -5.589
121 2H5* CH 12 2H5* CH 12 -9.198 -1.866 -6.418
122 H4* CH 12 H4* CH 12 -7.112 -1.167 -7.749
123 H3* CH 12 H3* CH 12 -8.567 -3.395 -8.286
124 H2* CH 12 H2* CH 12 -7.498 -4.646 -6.576
125 2HO* CH 12 2HO* CH 12 -6.290 -6.248 -7.673
126 H1* CH 12 H1* CH 12 -4.883 -3.498 -7.806
127 HN3 CH 12 HN3 CH 12 -1.754 -4.887 -4.816
128 1H4 CH 12 1H4 CH 12 -1.655 -6.290 -3.015
129 2H4 CH 12 2H4 CH 12 -3.097 -7.007 -2.334
130 H5 CH 12 H5 CH 12 -5.375 -6.584 -3.309
131 H6 CH 12 H6 CH 12 -6.549 -5.384 -5.012
132 1H5* C 13 1H5* C 13 -5.945 0.669 -11.252
133 2H5* C 13 2H5* C 13 -5.511 -0.551 -12.470
134 H4* C 13 H4* C 13 -3.809 1.013 -11.970
135 H3* C 13 H3* C 13 -3.265 -1.763 -11.956
136 H2* C 13 H2* C 13 -3.084 -1.668 -9.814
137 2HO* C 13 2HO* C 13 -1.403 -2.363 -9.350
138 H1* C 13 H1* C 13 -1.312 0.822 -9.866
139 1H4 C 13 1H4 C 13 -2.651 -0.456 -3.621
140 2H4 C 13 2H4 C 13 -4.328 -0.725 -4.053
141 H5 C 13 H5 C 13 -5.154 -0.757 -6.381
142 H6 C 13 H6 C 13 -4.427 -0.276 -8.807
143 1H5* A 14 1H5* A 14 0.682 1.303 -11.952
144 2H5* A 14 2H5* A 14 1.486 0.625 -13.382
145 H4* A 14 H4* A 14 3.111 1.438 -11.793
146 H3* A 14 H3* A 14 3.223 -1.273 -12.769
147 H2* A 14 H2* A 14 2.613 -2.074 -11.059
148 2HO* A 14 2HO* A 14 4.010 -3.304 -10.668
149 H1* A 14 H1* A 14 4.325 -0.366 -9.156
150 H8 A 14 H8 A 14 1.010 -2.104 -9.922
151 1H6 A 14 1H6 A 14 0.692 -3.741 -4.083
152 2H6 A 14 2H6 A 14 0.013 -3.821 -5.680
153 H2 A 14 H2 A 14 4.520 -1.277 -4.622
154 1H5* C 15 1H5* C 15 8.208 0.185 -10.193
155 2H5* C 15 2H5* C 15 8.932 -0.948 -11.346
156 H4* C 15 H4* C 15 9.123 -1.639 -8.953
157 H3* C 15 H3* C 15 7.396 -3.636 -10.576
158 H2* C 15 H2* C 15 7.246 -4.764 -8.924
159 2HO* C 15 2HO* C 15 8.294 -5.294 -7.746
160 H1* C 15 H1* C 15 7.600 -2.747 -6.854
161 1H4 C 15 1H4 C 15 1.728 -5.601 -6.575
162 2H4 C 15 2H4 C 15 1.807 -5.362 -8.299
163 H5 C 15 H5 C 15 3.226 -4.455 -9.485
164 H6 C 15 H6 C 15 5.503 -3.340 -9.672
165 1H5* A 16 1H5* A 16 11.529 -6.979 -9.817
166 2H5* A 16 2H5* A 16 10.012 -6.349 -10.492
167 H4* A 16 H4* A 16 10.337 -7.450 -7.665
168 H3* A 16 H3* A 16 9.316 -8.642 -10.250
169 H2* A 16 H2* A 16 7.428 -8.656 -9.677
170 2HO* A 16 2HO* A 16 6.580 -9.782 -8.138
171 H1* A 16 H1* A 16 7.798 -7.906 -6.718
172 H8 A 16 H8 A 16 6.327 -6.562 -9.648
173 1H6 A 16 1H6 A 16 0.929 -8.091 -6.852
174 2H6 A 16 2H6 A 16 1.612 -7.299 -8.253
175 H2 A 16 H2 A 16 4.381 -9.605 -4.402
176 1H5* G 17 1H5* G 17 9.689 -14.204 -9.213
177 2H5* G 17 2H5* G 17 8.744 -12.989 -10.095
178 H4* G 17 H4* G 17 8.185 -13.823 -7.227
179 H3* G 17 H3* G 17 6.973 -14.411 -9.860
180 H2* G 17 H2* G 17 5.412 -13.455 -9.538
181 2HO* G 17 2HO* G 17 3.631 -13.768 -8.507
182 H1* G 17 H1* G 17 5.772 -13.036 -6.525
183 H8 G 17 H8 G 17 6.157 -11.204 -9.459
184 H1 G 17 H1 G 17 0.184 -11.049 -7.303
185 1H2 G 17 1H2 G 17 0.036 -12.540 -5.632
186 2H2 G 17 2H2 G 17 1.465 -13.369 -5.064
187 H3T G 17 H3T G 17 7.930 -16.179 -8.554
Start of MODEL 4
1 1H5* C 1 1H5* C 1 -7.565 -11.932 -4.472
2 2H5* C 1 2H5* C 1 -7.931 -13.664 -4.611
3 H4* C 1 H4* C 1 -5.784 -14.209 -3.555
4 H3* C 1 H3* C 1 -5.463 -11.147 -3.383
5 H2* C 1 H2* C 1 -3.980 -11.120 -4.654
6 2HO* C 1 2HO* C 1 -2.228 -12.007 -4.490
7 H1* C 1 H1* C 1 -3.508 -14.027 -4.515
8 1H4 C 1 1H4 C 1 0.274 -11.567 -9.241
9 2H4 C 1 2H4 C 1 -1.120 -10.646 -9.742
10 H5 C 1 H5 C 1 -2.906 -10.600 -8.765
11 H6 C 1 H6 C 1 -4.430 -11.487 -6.746
12 H5T C 1 H5T C 1 -7.430 -12.265 -2.192
13 1H5* U 2 1H5* U 2 -1.368 -15.313 -1.705
14 2H5* U 2 2H5* U 2 -2.194 -15.187 -0.144
15 H4* U 2 H4* U 2 -0.162 -13.858 -0.373
16 H3* U 2 H3* U 2 -2.601 -12.767 0.627
17 H2* U 2 H2* U 2 -2.769 -11.298 -1.077
18 2HO* U 2 2HO* U 2 -2.092 -9.277 -0.483
19 H1* U 2 H1* U 2 0.275 -11.073 -0.949
20 H3 U 2 H3 U 2 1.279 -9.132 -4.897
21 H5 U 2 H5 U 2 -2.977 -9.047 -4.752
22 H6 U 2 H6 U 2 -2.872 -10.256 -2.807
23 1H5* G 3 1H5* G 3 1.258 -10.258 4.266
24 2H5* G 3 2H5* G 3 0.185 -10.077 2.870
25 H4* G 3 H4* G 3 3.245 -10.049 2.732
26 H3* G 3 H3* G 3 1.123 -7.847 2.914
27 H2* G 3 H2* G 3 1.314 -7.124 1.261
28 2HO* G 3 2HO* G 3 2.817 -6.278 0.397
29 H1* G 3 H1* G 3 3.657 -8.609 0.124
30 H8 G 3 H8 G 3 0.181 -8.617 0.075
31 H1 G 3 H1 G 3 2.682 -5.665 -4.862
32 1H2 G 3 1H2 G 3 4.684 -5.422 -4.669
33 2H2 G 3 2H2 G 3 5.599 -5.925 -3.234
34 1H5* U 4 1H5* U 4 6.954 -6.264 2.028
35 2H5* U 4 2H5* U 4 6.737 -6.051 3.771
36 H4* U 4 H4* U 4 6.398 -3.969 2.382
37 H3* U 4 H3* U 4 4.313 -4.982 4.256
38 H2* U 4 H2* U 4 2.833 -4.841 3.025
39 2HO* U 4 2HO* U 4 1.755 -2.840 2.808
40 H1* U 4 H1* U 4 4.217 -2.814 1.177
41 H3 U 4 H3 U 4 1.822 -3.362 -2.590
42 H5 U 4 H5 U 4 -0.358 -5.487 0.405
43 H6 U 4 H6 U 4 1.463 -5.155 1.871
44 1H5* G 5 1H5* G 5 4.773 0.978 3.010
45 2H5* G 5 2H5* G 5 3.086 0.550 2.675
46 H4* G 5 H4* G 5 5.406 -0.042 0.791
47 H3* G 5 H3* G 5 3.136 1.975 0.846
48 H2* G 5 H2* G 5 2.527 1.847 -0.973
49 2HO* G 5 2HO* G 5 3.522 0.943 -2.619
50 H1* G 5 H1* G 5 3.892 -0.566 -1.799
51 H8 G 5 H8 G 5 1.797 -0.571 0.619
52 H1 G 5 H1 G 5 -1.532 -0.403 -4.774
53 1H2 G 5 1H2 G 5 -0.124 0.141 -6.344
54 2H2 G 5 2H2 G 5 1.556 0.491 -6.009
55 1HM5 5MU 6 1HM5 5MU 6 -0.937 2.891 -1.867
56 2HM5 5MU 6 2HM5 5MU 6 0.413 3.954 -1.304
57 3HM5 5MU 6 3HM5 5MU 6 0.621 2.213 -1.210
58 H6 5MU 6 H6 5MU 6 2.426 3.475 -2.016
59 H1* 5MU 6 H1* 5MU 6 4.517 4.442 -4.619
60 H2* 5MU 6 H2* 5MU 6 3.428 4.881 -1.897
61 H3* 5MU 6 H3* 5MU 6 4.795 3.822 -1.310
62 H4* 5MU 6 H4* 5MU 6 6.740 4.535 -3.520
63 1H5* 5MU 6 1H5* 5MU 6 7.952 2.485 -2.933
64 2H5* 5MU 6 2H5* 5MU 6 8.063 3.703 -1.657
65 2HO* 5MU 6 2HO* 5MU 6 2.855 5.968 -3.184
66 H3 5MU 6 H3 5MU 6 0.646 2.810 -6.381
67 1H5* U 7 1H5* U 7 3.571 8.325 -0.774
68 2H5* U 7 2H5* U 7 3.842 7.355 -2.206
69 H4* U 7 H4* U 7 4.082 10.292 -1.978
70 H3* U 7 H3* U 7 1.657 8.962 -2.171
71 H2* U 7 H2* U 7 2.601 7.817 -3.920
72 2HO* U 7 2HO* U 7 1.633 7.907 -5.617
73 H1* U 7 H1* U 7 3.171 10.483 -5.399
74 H3 U 7 H3 U 7 4.848 7.668 -8.793
75 H5 U 7 H5 U 7 5.693 5.752 -5.094
76 H6 U 7 H6 U 7 4.548 7.710 -4.015
77 1H5* C 8 1H5* C 8 -1.970 11.042 -2.291
78 2H5* C 8 2H5* C 8 -0.679 10.031 -1.751
79 H4* C 8 H4* C 8 -2.898 8.861 -3.460
80 H3* C 8 H3* C 8 -3.373 10.211 -1.115
81 H2* C 8 H2* C 8 -2.000 9.542 -0.191
82 2HO* C 8 2HO* C 8 -2.555 9.608 1.332
83 H1* C 8 H1* C 8 -2.325 6.557 -0.567
84 1H4 C 8 1H4 C 8 3.515 6.464 2.059
85 2H4 C 8 2H4 C 8 3.560 8.212 2.124
86 H5 C 8 H5 C 8 1.731 9.640 1.198
87 H6 C 8 H6 C 8 -0.333 9.623 0.053
88 1H5* G 9 1H5* G 9 -4.612 5.407 -4.434
89 2H5* G 9 2H5* G 9 -4.388 7.158 -4.459
90 H4* G 9 H4* G 9 -7.030 5.804 -3.714
91 H3* G 9 H3* G 9 -6.166 5.669 -6.213
92 H2* G 9 H2* G 9 -5.722 8.036 -6.280
93 2HO* G 9 2HO* G 9 -7.117 7.471 -8.075
94 H1* G 9 H1* G 9 -8.493 8.374 -4.992
95 H8 G 9 H8 G 9 -5.101 9.105 -3.805
96 H1 G 9 H1 G 9 -7.879 14.519 -5.796
97 1H2 G 9 1H2 G 9 -9.825 14.007 -6.776
98 2H2 G 9 2H2 G 9 -10.396 12.358 -6.915
99 1H5* A 10 1H5* A 10 -10.787 3.415 -8.262
100 2H5* A 10 2H5* A 10 -11.588 2.957 -6.750
101 H4* A 10 H4* A 10 -10.193 1.020 -7.406
102 H3* A 10 H3* A 10 -9.941 2.234 -4.933
103 H2* A 10 H2* A 10 -7.880 3.066 -5.417
104 2HO* A 10 2HO* A 10 -7.508 0.356 -4.921
105 H1* A 10 H1* A 10 -7.208 0.568 -7.150
106 H8 A 10 H8 A 10 -5.532 2.769 -5.273
107 1H6 A 10 1H6 A 10 -2.090 4.826 -10.007
108 2H6 A 10 2H6 A 10 -2.216 4.752 -8.264
109 H2 A 10 H2 A 10 -5.658 2.686 -11.660
110 1H5* U 11 1H5* U 11 -11.034 -3.973 -4.041
111 2H5* U 11 2H5* U 11 -11.200 -2.711 -2.819
112 H4* U 11 H4* U 11 -8.759 -2.577 -2.572
113 H3* U 11 H3* U 11 -8.412 -5.052 -4.441
114 H2* U 11 H2* U 11 -6.601 -5.552 -3.161
115 2HO* U 11 2HO* U 11 -5.973 -4.351 -1.440
116 H1* U 11 H1* U 11 -7.915 -5.262 -0.896
117 H3 U 11 H3 U 11 -10.859 -8.826 -3.300
118 H5 U 11 H5 U 11 -6.977 -9.687 -1.912
119 H6 U 11 H6 U 11 -6.671 -7.306 -1.500
120 1H5* CH 12 1H5* CH 12 -9.555 -2.820 -7.787
121 2H5* CH 12 2H5* CH 12 -8.612 -3.919 -6.772
122 H4* CH 12 H4* CH 12 -7.464 -1.823 -8.658
123 H3* CH 12 H3* CH 12 -8.474 -4.126 -9.634
124 H2* CH 12 H2* CH 12 -7.433 -5.404 -7.835
125 2HO* CH 12 2HO* CH 12 -5.953 -6.744 -8.821
126 H1* CH 12 H1* CH 12 -4.912 -3.969 -8.768
127 HN3 CH 12 HN3 CH 12 -1.790 -4.880 -5.681
128 1H4 CH 12 1H4 CH 12 -1.566 -6.216 -3.850
129 2H4 CH 12 2H4 CH 12 -2.919 -7.112 -3.198
130 H5 CH 12 H5 CH 12 -5.145 -7.030 -4.222
131 H6 CH 12 H6 CH 12 -6.487 -5.986 -6.036
132 1H5* C 13 1H5* C 13 -4.863 -2.012 -13.204
133 2H5* C 13 2H5* C 13 -4.554 -2.502 -11.531
134 H4* C 13 H4* C 13 -4.063 0.154 -12.739
135 H3* C 13 H3* C 13 -2.413 -2.151 -12.518
136 H2* C 13 H2* C 13 -2.617 -1.965 -10.430
137 2HO* C 13 2HO* C 13 -1.005 -2.002 -9.579
138 H1* C 13 H1* C 13 -1.728 0.942 -10.361
139 1H4 C 13 1H4 C 13 -3.077 -1.124 -4.285
140 2H4 C 13 2H4 C 13 -4.656 -1.542 -4.890
141 H5 C 13 H5 C 13 -5.308 -1.441 -7.163
142 H6 C 13 H6 C 13 -4.548 -0.769 -9.492
143 1H5* A 14 1H5* A 14 0.356 -0.302 -10.886
144 2H5* A 14 2H5* A 14 0.252 1.469 -10.770
145 H4* A 14 H4* A 14 2.642 1.622 -11.008
146 H3* A 14 H3* A 14 2.660 -1.059 -11.999
147 H2* A 14 H2* A 14 2.346 -1.972 -10.337
148 2HO* A 14 2HO* A 14 3.775 -3.143 -10.167
149 H1* A 14 H1* A 14 4.067 -0.351 -8.375
150 H8 A 14 H8 A 14 0.763 -2.045 -9.284
151 1H6 A 14 1H6 A 14 0.369 -3.872 -3.500
152 2H6 A 14 2H6 A 14 -0.313 -3.905 -5.102
153 H2 A 14 H2 A 14 4.126 -1.342 -3.894
154 1H5* C 15 1H5* C 15 7.411 0.677 -9.337
155 2H5* C 15 2H5* C 15 8.254 -0.257 -10.591
156 H4* C 15 H4* C 15 8.606 -1.186 -8.353
157 H3* C 15 H3* C 15 6.953 -3.185 -10.080
158 H2* C 15 H2* C 15 7.011 -4.446 -8.469
159 2HO* C 15 2HO* C 15 8.367 -4.945 -7.675
160 H1* C 15 H1* C 15 7.236 -2.629 -6.235
161 1H4 C 15 1H4 C 15 1.454 -5.631 -6.055
162 2H4 C 15 2H4 C 15 1.527 -5.332 -7.759
163 H5 C 15 H5 C 15 2.917 -4.348 -8.928
164 H6 C 15 H6 C 15 5.155 -3.162 -9.092
165 1H5* A 16 1H5* A 16 10.575 -5.068 -8.459
166 2H5* A 16 2H5* A 16 11.173 -6.388 -9.487
167 H4* A 16 H4* A 16 10.325 -7.194 -7.216
168 H3* A 16 H3* A 16 9.183 -8.071 -9.840
169 H2* A 16 H2* A 16 7.248 -8.187 -9.255
170 2HO* A 16 2HO* A 16 6.472 -9.389 -7.616
171 H1* A 16 H1* A 16 7.586 -7.746 -6.231
172 H8 A 16 H8 A 16 6.117 -6.205 -9.193
173 1H6 A 16 1H6 A 16 0.781 -8.176 -6.628
174 2H6 A 16 2H6 A 16 1.467 -7.309 -7.984
175 H2 A 16 H2 A 16 4.223 -9.468 -4.039
176 1H5* G 17 1H5* G 17 10.201 -11.829 -6.651
177 2H5* G 17 2H5* G 17 10.509 -13.486 -7.181
178 H4* G 17 H4* G 17 8.314 -13.213 -6.121
179 H3* G 17 H3* G 17 8.034 -13.781 -9.026
180 H2* G 17 H2* G 17 6.195 -13.180 -8.982
181 2HO* G 17 2HO* G 17 4.337 -13.808 -8.025
182 H1* G 17 H1* G 17 6.114 -12.742 -5.946
183 H8 G 17 H8 G 17 6.441 -10.902 -8.839
184 H1 G 17 H1 G 17 0.408 -11.418 -6.973
185 1H2 G 17 1H2 G 17 0.321 -12.913 -5.316
186 2H2 G 17 2H2 G 17 1.794 -13.591 -4.668
187 H3T G 17 H3T G 17 7.576 -15.950 -8.144
Start of MODEL 5
1 1H5* C 1 1H5* C 1 -8.411 -12.682 -4.290
2 2H5* C 1 2H5* C 1 -7.969 -12.110 -2.666
3 H4* C 1 H4* C 1 -6.162 -13.457 -3.654
4 H3* C 1 H3* C 1 -5.666 -10.472 -3.137
5 H2* C 1 H2* C 1 -4.461 -10.278 -4.667
6 2HO* C 1 2HO* C 1 -2.697 -11.050 -4.837
7 H1* C 1 H1* C 1 -4.029 -13.159 -4.932
8 1H4 C 1 1H4 C 1 -0.744 -10.285 -9.766
9 2H4 C 1 2H4 C 1 -2.110 -9.223 -9.994
10 H5 C 1 H5 C 1 -3.819 -9.233 -8.776
11 H6 C 1 H6 C 1 -5.148 -10.320 -6.737
12 H5T C 1 H5T C 1 -8.906 -10.461 -3.900
13 1H5* U 2 1H5* U 2 -1.582 -14.860 -1.328
14 2H5* U 2 2H5* U 2 -2.490 -14.643 0.171
15 H4* U 2 H4* U 2 -0.510 -13.129 -0.134
16 H3* U 2 H3* U 2 -3.167 -12.163 0.623
17 H2* U 2 H2* U 2 -3.192 -10.690 -1.046
18 2HO* U 2 2HO* U 2 -2.287 -8.686 -0.487
19 H1* U 2 H1* U 2 -0.125 -10.675 -0.926
20 H3 U 2 H3 U 2 0.937 -8.822 -4.949
21 H5 U 2 H5 U 2 -3.263 -8.371 -4.627
22 H6 U 2 H6 U 2 -3.203 -9.672 -2.734
23 1H5* G 3 1H5* G 3 1.355 -10.583 3.787
24 2H5* G 3 2H5* G 3 0.311 -9.925 2.512
25 H4* G 3 H4* G 3 3.287 -10.515 2.252
26 H3* G 3 H3* G 3 1.670 -8.016 2.877
27 H2* G 3 H2* G 3 1.646 -7.229 1.235
28 2HO* G 3 2HO* G 3 3.131 -6.378 0.287
29 H1* G 3 H1* G 3 3.825 -8.633 -0.207
30 H8 G 3 H8 G 3 0.343 -8.467 0.069
31 H1 G 3 H1 G 3 2.625 -5.446 -4.943
32 1H2 G 3 1H2 G 3 4.618 -5.360 -4.974
33 2H2 G 3 2H2 G 3 5.645 -6.034 -3.688
34 1H5* U 4 1H5* U 4 6.068 -6.831 3.972
35 2H5* U 4 2H5* U 4 5.992 -5.744 5.372
36 H4* U 4 H4* U 4 6.509 -4.472 3.357
37 H3* U 4 H3* U 4 4.020 -4.114 4.920
38 H2* U 4 H2* U 4 2.834 -4.267 3.383
39 2HO* U 4 2HO* U 4 2.068 -2.632 2.422
40 H1* U 4 H1* U 4 4.917 -3.233 1.388
41 H3 U 4 H3 U 4 2.321 -3.334 -2.346
42 H5 U 4 H5 U 4 0.066 -5.441 0.630
43 H6 U 4 H6 U 4 1.921 -5.222 2.094
44 1H5* G 5 1H5* G 5 6.826 0.488 2.614
45 2H5* G 5 2H5* G 5 5.093 0.102 2.724
46 H4* G 5 H4* G 5 6.787 -0.453 0.304
47 H3* G 5 H3* G 5 5.100 1.897 1.088
48 H2* G 5 H2* G 5 3.827 2.012 -0.434
49 2HO* G 5 2HO* G 5 4.382 1.230 -2.570
50 H1* G 5 H1* G 5 4.834 -0.362 -1.903
51 H8 G 5 H8 G 5 3.212 -0.335 0.800
52 H1 G 5 H1 G 5 -1.023 0.280 -3.939
53 1H2 G 5 1H2 G 5 0.194 0.760 -5.735
54 2H2 G 5 2H2 G 5 1.931 0.939 -5.661
55 1HM5 5MU 6 1HM5 5MU 6 6.715 -0.172 -1.925
56 2HM5 5MU 6 2HM5 5MU 6 8.029 0.362 -0.892
57 3HM5 5MU 6 3HM5 5MU 6 8.295 -0.932 -2.113
58 H6 5MU 6 H6 5MU 6 6.701 2.271 -1.803
59 H1* 5MU 6 H1* 5MU 6 6.164 4.875 -3.872
60 H2* 5MU 6 H2* 5MU 6 5.308 3.219 -2.178
61 H3* 5MU 6 H3* 5MU 6 5.908 3.930 -0.608
62 H4* 5MU 6 H4* 5MU 6 6.135 6.856 -1.162
63 1H5* 5MU 6 1H5* 5MU 6 8.107 6.492 0.261
64 2H5* 5MU 6 2H5* 5MU 6 6.711 5.812 1.117
65 2HO* 5MU 6 2HO* 5MU 6 4.502 3.203 -3.446
66 H3 5MU 6 H3 5MU 6 9.766 2.186 -5.464
67 1H5* U 7 1H5* U 7 4.152 6.287 -3.145
68 2H5* U 7 2H5* U 7 4.525 7.916 -2.536
69 H4* U 7 H4* U 7 2.607 8.768 -3.490
70 H3* U 7 H3* U 7 1.466 6.272 -3.734
71 H2* U 7 H2* U 7 3.272 5.724 -5.083
72 2HO* U 7 2HO* U 7 2.825 5.228 -6.952
73 H1* U 7 H1* U 7 2.647 8.078 -6.986
74 H3 U 7 H3 U 7 6.467 6.703 -9.334
75 H5 U 7 H5 U 7 7.316 5.890 -5.280
76 H6 U 7 H6 U 7 4.913 6.782 -4.810
77 1H5* C 8 1H5* C 8 -2.272 9.780 -3.848
78 2H5* C 8 2H5* C 8 -1.524 8.323 -3.326
79 H4* C 8 H4* C 8 -4.253 8.332 -4.656
80 H3* C 8 H3* C 8 -3.688 9.680 -2.337
81 H2* C 8 H2* C 8 -2.668 8.405 -1.640
82 2HO* C 8 2HO* C 8 -2.861 8.740 -0.078
83 H1* C 8 H1* C 8 -4.343 5.912 -1.767
84 1H4 C 8 1H4 C 8 1.196 3.059 -0.288
85 2H4 C 8 2H4 C 8 1.998 4.610 -0.182
86 H5 C 8 H5 C 8 0.859 6.755 -0.758
87 H6 C 8 H6 C 8 -1.138 7.732 -1.520
88 1H5* G 9 1H5* G 9 -5.992 4.932 -3.528
89 2H5* G 9 2H5* G 9 -5.650 6.547 -4.146
90 H4* G 9 H4* G 9 -8.443 5.445 -3.740
91 H3* G 9 H3* G 9 -6.811 4.640 -5.683
92 H2* G 9 H2* G 9 -6.484 6.769 -6.591
93 2HO* G 9 2HO* G 9 -7.855 6.986 -8.442
94 H1* G 9 H1* G 9 -9.453 7.368 -6.108
95 H8 G 9 H8 G 9 -6.498 8.685 -4.405
96 H1 G 9 H1 G 9 -8.501 12.892 -8.786
97 1H2 G 9 1H2 G 9 -10.100 11.932 -10.028
98 2H2 G 9 2H2 G 9 -10.632 10.287 -9.758
99 1H5* A 10 1H5* A 10 -11.465 2.614 -7.259
100 2H5* A 10 2H5* A 10 -12.267 1.841 -5.884
101 H4* A 10 H4* A 10 -10.499 0.302 -6.735
102 H3* A 10 H3* A 10 -10.560 1.208 -3.999
103 H2* A 10 H2* A 10 -8.550 2.196 -4.124
104 2HO* A 10 2HO* A 10 -7.897 -0.553 -4.273
105 H1* A 10 H1* A 10 -7.782 0.143 -6.254
106 H8 A 10 H8 A 10 -6.176 2.036 -3.968
107 1H6 A 10 1H6 A 10 -2.445 4.696 -8.148
108 2H6 A 10 2H6 A 10 -2.669 4.367 -6.445
109 H2 A 10 H2 A 10 -5.927 2.886 -10.297
110 1H5* U 11 1H5* U 11 -10.702 -4.398 -2.731
111 2H5* U 11 2H5* U 11 -11.071 -2.785 -2.090
112 H4* U 11 H4* U 11 -8.969 -1.926 -3.021
113 H3* U 11 H3* U 11 -8.169 -4.817 -3.761
114 H2* U 11 H2* U 11 -6.027 -3.926 -3.654
115 2HO* U 11 2HO* U 11 -5.625 -1.872 -3.105
116 H1* U 11 H1* U 11 -6.496 -2.898 -1.280
117 H3 U 11 H3 U 11 -7.623 -7.976 -0.635
118 H5 U 11 H5 U 11 -3.685 -6.585 -1.182
119 H6 U 11 H6 U 11 -4.614 -4.393 -1.737
120 1H5* CH 12 1H5* CH 12 -9.473 -1.677 -6.847
121 2H5* CH 12 2H5* CH 12 -9.793 -1.884 -8.577
122 H4* CH 12 H4* CH 12 -7.618 -0.898 -8.304
123 H3* CH 12 H3* CH 12 -8.019 -3.096 -9.891
124 H2* CH 12 H2* CH 12 -7.219 -4.500 -8.029
125 2HO* CH 12 2HO* CH 12 -5.328 -5.386 -8.565
126 H1* CH 12 H1* CH 12 -5.058 -2.388 -8.061
127 HN3 CH 12 HN3 CH 12 -1.814 -3.995 -5.496
128 1H4 CH 12 1H4 CH 12 -1.526 -5.606 -3.906
129 2H4 CH 12 2H4 CH 12 -2.862 -6.590 -3.347
130 H5 CH 12 H5 CH 12 -5.128 -6.368 -4.292
131 H6 CH 12 H6 CH 12 -6.503 -5.086 -5.863
132 1H5* C 13 1H5* C 13 -5.821 0.650 -11.837
133 2H5* C 13 2H5* C 13 -4.647 0.482 -13.148
134 H4* C 13 H4* C 13 -3.719 1.673 -11.175
135 H3* C 13 H3* C 13 -2.486 -1.125 -11.760
136 H2* C 13 H2* C 13 -2.700 -1.286 -9.734
137 2HO* C 13 2HO* C 13 -1.127 -1.108 -8.732
138 H1* C 13 H1* C 13 -2.248 1.672 -9.414
139 1H4 C 13 1H4 C 13 -2.644 -0.312 -3.195
140 2H4 C 13 2H4 C 13 -4.336 -0.611 -3.526
141 H5 C 13 H5 C 13 -5.312 -0.498 -5.741
142 H6 C 13 H6 C 13 -4.676 0.075 -8.256
143 1H5* A 14 1H5* A 14 0.381 0.783 -10.008
144 2H5* A 14 2H5* A 14 0.495 2.493 -9.557
145 H4* A 14 H4* A 14 2.839 2.496 -10.136
146 H3* A 14 H3* A 14 2.408 0.101 -11.558
147 H2* A 14 H2* A 14 2.147 -1.118 -10.076
148 2HO* A 14 2HO* A 14 3.446 -2.473 -10.388
149 H1* A 14 H1* A 14 4.349 -0.092 -8.246
150 H8 A 14 H8 A 14 0.768 -1.397 -8.810
151 1H6 A 14 1H6 A 14 0.722 -3.541 -3.143
152 2H6 A 14 2H6 A 14 -0.106 -3.379 -4.668
153 H2 A 14 H2 A 14 4.624 -1.234 -3.709
154 1H5* C 15 1H5* C 15 7.336 -0.483 -11.550
155 2H5* C 15 2H5* C 15 5.721 -1.036 -11.066
156 H4* C 15 H4* C 15 8.193 -0.989 -9.276
157 H3* C 15 H3* C 15 6.523 -3.209 -10.594
158 H2* C 15 H2* C 15 6.548 -4.408 -8.971
159 2HO* C 15 2HO* C 15 7.662 -4.775 -7.678
160 H1* C 15 H1* C 15 7.060 -2.495 -6.832
161 1H4 C 15 1H4 C 15 1.266 -5.308 -5.927
162 2H4 C 15 2H4 C 15 1.109 -4.920 -7.588
163 H5 C 15 H5 C 15 2.364 -3.973 -8.920
164 H6 C 15 H6 C 15 4.652 -2.896 -9.342
165 1H5* A 16 1H5* A 16 10.411 -5.192 -7.963
166 2H5* A 16 2H5* A 16 11.094 -6.429 -9.031
167 H4* A 16 H4* A 16 9.723 -7.384 -7.175
168 H3* A 16 H3* A 16 8.837 -7.881 -10.053
169 H2* A 16 H2* A 16 6.933 -7.923 -9.654
170 2HO* A 16 2HO* A 16 6.006 -9.394 -8.374
171 H1* A 16 H1* A 16 7.041 -7.903 -6.588
172 H8 A 16 H8 A 16 5.687 -6.091 -9.491
173 1H6 A 16 1H6 A 16 0.300 -7.725 -6.841
174 2H6 A 16 2H6 A 16 1.019 -6.864 -8.182
175 H2 A 16 H2 A 16 3.724 -9.428 -4.426
176 1H5* G 17 1H5* G 17 9.161 -13.870 -9.490
177 2H5* G 17 2H5* G 17 8.275 -12.661 -10.433
178 H4* G 17 H4* G 17 7.611 -13.425 -7.567
179 H3* G 17 H3* G 17 6.433 -13.930 -10.235
180 H2* G 17 H2* G 17 4.905 -12.924 -9.935
181 2HO* G 17 2HO* G 17 3.085 -13.173 -8.913
182 H1* G 17 H1* G 17 5.206 -12.581 -6.905
183 H8 G 17 H8 G 17 5.729 -10.682 -9.782
184 H1 G 17 H1 G 17 -0.279 -10.465 -7.731
185 1H2 G 17 1H2 G 17 -0.468 -12.011 -6.108
186 2H2 G 17 2H2 G 17 0.939 -12.882 -5.560
187 H3T G 17 H3T G 17 7.301 -15.752 -8.895
Start of MODEL 6
1 1H5* C 1 1H5* C 1 -7.509 -11.145 -3.421
2 2H5* C 1 2H5* C 1 -8.041 -12.813 -3.126
3 H4* C 1 H4* C 1 -5.791 -13.388 -2.295
4 H3* C 1 H3* C 1 -5.311 -10.381 -2.642
5 H2* C 1 H2* C 1 -4.184 -10.629 -4.229
6 2HO* C 1 2HO* C 1 -2.375 -11.340 -4.218
7 H1* C 1 H1* C 1 -3.647 -13.453 -3.650
8 1H4 C 1 1H4 C 1 -0.450 -11.961 -9.124
9 2H4 C 1 2H4 C 1 -1.856 -11.066 -9.640
10 H5 C 1 H5 C 1 -3.580 -10.778 -8.456
11 H6 C 1 H6 C 1 -4.856 -11.272 -6.187
12 H5T C 1 H5T C 1 -7.488 -12.435 -0.891
13 1H5* U 2 1H5* U 2 -1.129 -14.059 0.009
14 2H5* U 2 2H5* U 2 -1.849 -13.425 1.493
15 H4* U 2 H4* U 2 -0.068 -12.027 0.500
16 H3* U 2 H3* U 2 -2.578 -10.909 1.332
17 H2* U 2 H2* U 2 -2.934 -10.030 -0.758
18 2HO* U 2 2HO* U 2 -2.116 -7.881 -0.801
19 H1* U 2 H1* U 2 0.124 -9.923 -0.897
20 H3 U 2 H3 U 2 0.972 -8.880 -5.185
21 H5 U 2 H5 U 2 -3.251 -8.530 -4.814
22 H6 U 2 H6 U 2 -3.048 -9.415 -2.683
23 1H5* G 3 1H5* G 3 2.371 -10.675 3.076
24 2H5* G 3 2H5* G 3 2.668 -9.378 4.237
25 H4* G 3 H4* G 3 3.661 -8.872 2.127
26 H3* G 3 H3* G 3 1.257 -6.950 2.547
27 H2* G 3 H2* G 3 1.419 -6.293 0.857
28 2HO* G 3 2HO* G 3 2.906 -5.657 -0.217
29 H1* G 3 H1* G 3 3.536 -8.059 -0.308
30 H8 G 3 H8 G 3 0.054 -7.720 -0.160
31 H1 G 3 H1 G 3 2.592 -5.588 -5.485
32 1H2 G 3 1H2 G 3 4.654 -5.526 -5.377
33 2H2 G 3 2H2 G 3 5.559 -6.020 -3.938
34 1H5* U 4 1H5* U 4 7.113 -5.553 1.505
35 2H5* U 4 2H5* U 4 6.940 -5.121 3.212
36 H4* U 4 H4* U 4 6.589 -3.223 1.597
37 H3* U 4 H3* U 4 4.485 -3.978 3.574
38 H2* U 4 H2* U 4 2.969 -3.798 2.373
39 2HO* U 4 2HO* U 4 2.035 -1.894 1.784
40 H1* U 4 H1* U 4 4.487 -2.230 0.236
41 H3 U 4 H3 U 4 1.970 -2.989 -3.367
42 H5 U 4 H5 U 4 -0.224 -4.710 -0.115
43 H6 U 4 H6 U 4 1.639 -4.340 1.249
44 1H5* G 5 1H5* G 5 6.552 -1.123 1.429
45 2H5* G 5 2H5* G 5 6.968 0.553 1.804
46 H4* G 5 H4* G 5 6.740 -0.088 -0.615
47 H3* G 5 H3* G 5 4.812 2.041 0.410
48 H2* G 5 H2* G 5 3.638 2.171 -1.197
49 2HO* G 5 2HO* G 5 4.243 1.448 -3.294
50 H1* G 5 H1* G 5 4.850 -0.096 -2.675
51 H8 G 5 H8 G 5 3.166 -0.253 0.020
52 H1 G 5 H1 G 5 -0.896 0.320 -4.841
53 1H2 G 5 1H2 G 5 0.428 0.896 -6.576
54 2H2 G 5 2H2 G 5 2.149 1.125 -6.379
55 1HM5 5MU 6 1HM5 5MU 6 8.475 0.148 -2.546
56 2HM5 5MU 6 2HM5 5MU 6 6.781 0.636 -2.562
57 3HM5 5MU 6 3HM5 5MU 6 7.844 1.374 -1.390
58 H6 5MU 6 H6 5MU 6 6.372 2.994 -2.412
59 H1* 5MU 6 H1* 5MU 6 5.318 5.317 -4.549
60 H2* 5MU 6 H2* 5MU 6 4.863 3.528 -2.995
61 H3* 5MU 6 H3* 5MU 6 4.735 4.254 -1.304
62 H4* 5MU 6 H4* 5MU 6 5.318 7.075 -1.140
63 1H5* 5MU 6 1H5* 5MU 6 7.351 4.849 -1.358
64 2H5* 5MU 6 2H5* 5MU 6 7.518 6.391 -0.525
65 2HO* 5MU 6 2HO* 5MU 6 4.239 3.461 -4.357
66 H3 5MU 6 H3 5MU 6 9.608 3.500 -5.883
67 1H5* U 7 1H5* U 7 3.647 7.298 -3.275
68 2H5* U 7 2H5* U 7 4.156 8.976 -3.093
69 H4* U 7 H4* U 7 2.011 9.787 -3.438
70 H3* U 7 H3* U 7 0.815 7.590 -2.671
71 H2* U 7 H2* U 7 2.089 6.450 -4.349
72 2HO* U 7 2HO* U 7 1.014 5.475 -5.718
73 H1* U 7 H1* U 7 0.719 8.272 -6.439
74 H3 U 7 H3 U 7 3.203 5.913 -9.613
75 H5 U 7 H5 U 7 5.730 6.223 -6.252
76 H6 U 7 H6 U 7 3.667 7.432 -5.093
77 1H5* C 8 1H5* C 8 -3.559 7.589 -2.791
78 2H5* C 8 2H5* C 8 -1.948 7.584 -2.146
79 H4* C 8 H4* C 8 -3.147 4.905 -2.656
80 H3* C 8 H3* C 8 -4.578 6.828 -1.306
81 H2* C 8 H2* C 8 -3.189 7.462 -0.304
82 2HO* C 8 2HO* C 8 -3.769 8.021 1.085
83 H1* C 8 H1* C 8 -2.048 4.960 0.934
84 1H4 C 8 1H4 C 8 2.585 9.166 2.481
85 2H4 C 8 2H4 C 8 1.892 10.374 1.423
86 H5 C 8 H5 C 8 -0.115 9.944 0.015
87 H6 C 8 H6 C 8 -1.754 8.366 -0.564
88 1H5* G 9 1H5* G 9 -6.642 4.638 -2.978
89 2H5* G 9 2H5* G 9 -6.180 6.347 -2.870
90 H4* G 9 H4* G 9 -9.002 5.292 -3.152
91 H3* G 9 H3* G 9 -7.439 5.579 -5.244
92 H2* G 9 H2* G 9 -6.732 7.789 -4.492
93 2HO* G 9 2HO* G 9 -8.924 8.278 -6.273
94 H1* G 9 H1* G 9 -9.753 8.289 -4.120
95 H8 G 9 H8 G 9 -6.891 8.190 -1.819
96 H1 G 9 H1 G 9 -8.681 14.265 -2.785
97 1H2 G 9 1H2 G 9 -10.244 14.303 -4.391
98 2H2 G 9 2H2 G 9 -10.803 12.846 -5.182
99 1H5* A 10 1H5* A 10 -9.714 3.192 -8.829
100 2H5* A 10 2H5* A 10 -10.850 2.734 -7.548
101 H4* A 10 H4* A 10 -9.013 0.965 -7.827
102 H3* A 10 H3* A 10 -9.765 2.151 -5.352
103 H2* A 10 H2* A 10 -7.761 3.129 -5.014
104 2HO* A 10 2HO* A 10 -7.065 0.412 -4.740
105 H1* A 10 H1* A 10 -6.366 0.937 -6.690
106 H8 A 10 H8 A 10 -5.610 3.141 -4.189
107 1H6 A 10 1H6 A 10 -0.941 5.671 -7.356
108 2H6 A 10 2H6 A 10 -1.655 5.478 -5.772
109 H2 A 10 H2 A 10 -3.538 3.433 -10.223
110 1H5* U 11 1H5* U 11 -10.925 -3.569 -5.384
111 2H5* U 11 2H5* U 11 -11.742 -2.860 -3.978
112 H4* U 11 H4* U 11 -9.846 -3.509 -2.521
113 H3* U 11 H3* U 11 -8.695 -4.916 -4.993
114 H2* U 11 H2* U 11 -7.767 -6.483 -3.573
115 2HO* U 11 2HO* U 11 -8.117 -6.445 -1.400
116 H1* U 11 H1* U 11 -10.085 -6.856 -2.337
117 H3 U 11 H3 U 11 -11.454 -7.890 -7.256
118 H5 U 11 H5 U 11 -8.891 -10.411 -5.064
119 H6 U 11 H6 U 11 -8.762 -8.679 -3.352
120 1H5* CH 12 1H5* CH 12 -7.631 -0.728 -6.663
121 2H5* CH 12 2H5* CH 12 -8.813 -1.676 -7.568
122 H4* CH 12 H4* CH 12 -6.625 -1.070 -8.736
123 H3* CH 12 H3* CH 12 -8.035 -3.324 -9.287
124 H2* CH 12 H2* CH 12 -7.092 -4.512 -7.459
125 2HO* CH 12 2HO* CH 12 -5.775 -6.131 -8.410
126 H1* CH 12 H1* CH 12 -4.395 -3.407 -8.527
127 HN3 CH 12 HN3 CH 12 -1.518 -4.538 -5.190
128 1H4 CH 12 1H4 CH 12 -1.569 -5.798 -3.285
129 2H4 CH 12 2H4 CH 12 -3.061 -6.483 -2.683
130 H5 CH 12 H5 CH 12 -5.243 -6.149 -3.878
131 H6 CH 12 H6 CH 12 -6.267 -5.110 -5.767
132 1H5* C 13 1H5* C 13 -5.602 0.894 -11.926
133 2H5* C 13 2H5* C 13 -5.028 -0.210 -13.194
134 H4* C 13 H4* C 13 -3.490 1.472 -12.580
135 H3* C 13 H3* C 13 -2.708 -1.240 -12.672
136 H2* C 13 H2* C 13 -2.572 -1.221 -10.526
137 2HO* C 13 2HO* C 13 -0.848 -1.788 -10.061
138 H1* C 13 H1* C 13 -1.024 1.417 -10.408
139 1H4 C 13 1H4 C 13 -2.457 -0.380 -4.287
140 2H4 C 13 2H4 C 13 -4.079 -0.767 -4.816
141 H5 C 13 H5 C 13 -4.804 -0.683 -7.130
142 H6 C 13 H6 C 13 -4.054 0.007 -9.494
143 1H5* A 14 1H5* A 14 1.203 1.770 -12.604
144 2H5* A 14 2H5* A 14 2.267 1.015 -13.807
145 H4* A 14 H4* A 14 3.541 1.761 -11.853
146 H3* A 14 H3* A 14 3.606 -1.057 -12.722
147 H2* A 14 H2* A 14 2.875 -1.773 -11.003
148 2HO* A 14 2HO* A 14 4.282 -2.276 -9.550
149 H1* A 14 H1* A 14 4.175 0.321 -9.179
150 H8 A 14 H8 A 14 1.061 -1.574 -10.055
151 1H6 A 14 1H6 A 14 0.557 -3.490 -4.304
152 2H6 A 14 2H6 A 14 -0.095 -3.466 -5.915
153 H2 A 14 H2 A 14 4.366 -0.931 -4.648
154 1H5* C 15 1H5* C 15 7.982 -0.526 -10.824
155 2H5* C 15 2H5* C 15 8.892 -1.769 -11.703
156 H4* C 15 H4* C 15 8.942 -2.188 -9.275
157 H3* C 15 H3* C 15 7.255 -4.280 -10.765
158 H2* C 15 H2* C 15 6.918 -5.250 -9.004
159 2HO* C 15 2HO* C 15 7.937 -5.725 -7.738
160 H1* C 15 H1* C 15 7.317 -3.071 -7.125
161 1H4 C 15 1H4 C 15 1.270 -5.373 -6.587
162 2H4 C 15 2H4 C 15 1.336 -5.405 -8.323
163 H5 C 15 H5 C 15 2.888 -4.772 -9.670
164 H6 C 15 H6 C 15 5.280 -3.862 -9.895
165 1H5* A 16 1H5* A 16 11.207 -7.708 -9.334
166 2H5* A 16 2H5* A 16 9.773 -7.114 -10.198
167 H4* A 16 H4* A 16 9.831 -7.885 -7.242
168 H3* A 16 H3* A 16 8.997 -9.333 -9.754
169 H2* A 16 H2* A 16 7.058 -9.164 -9.415
170 2HO* A 16 2HO* A 16 5.983 -10.113 -7.863
171 H1* A 16 H1* A 16 7.173 -8.155 -6.508
172 H8 A 16 H8 A 16 6.069 -7.065 -9.693
173 1H6 A 16 1H6 A 16 0.368 -8.038 -7.264
174 2H6 A 16 2H6 A 16 1.199 -7.437 -8.680
175 H2 A 16 H2 A 16 3.570 -9.429 -4.376
176 1H5* G 17 1H5* G 17 8.641 -14.176 -9.492
177 2H5* G 17 2H5* G 17 7.113 -13.343 -9.697
178 H4* G 17 H4* G 17 8.619 -13.855 -7.107
179 H3* G 17 H3* G 17 6.782 -15.297 -8.475
180 H2* G 17 H2* G 17 5.312 -14.110 -8.597
181 2HO* G 17 2HO* G 17 3.464 -14.286 -7.486
182 H1* G 17 H1* G 17 5.357 -13.091 -5.700
183 H8 G 17 H8 G 17 5.886 -11.974 -9.069
184 H1 G 17 H1 G 17 -0.067 -11.401 -6.924
185 1H2 G 17 1H2 G 17 -0.162 -12.435 -4.921
186 2H2 G 17 2H2 G 17 1.294 -13.064 -4.191
187 H3T G 17 H3T G 17 6.950 -15.127 -5.569
Start of MODEL 7
1 1H5* C 1 1H5* C 1 -7.809 -9.356 -4.636
2 2H5* C 1 2H5* C 1 -8.682 -10.797 -5.187
3 H4* C 1 H4* C 1 -6.802 -12.200 -4.467
4 H3* C 1 H3* C 1 -5.601 -9.712 -3.267
5 H2* C 1 H2* C 1 -4.586 -9.284 -5.018
6 2HO* C 1 2HO* C 1 -2.791 -10.113 -5.172
7 H1* C 1 H1* C 1 -4.362 -12.162 -5.447
8 1H4 C 1 1H4 C 1 -0.431 -9.663 -9.967
9 2H4 C 1 2H4 C 1 -1.626 -8.415 -10.219
10 H5 C 1 H5 C 1 -3.343 -8.210 -9.123
11 H6 C 1 H6 C 1 -4.965 -9.132 -7.219
12 H5T C 1 H5T C 1 -9.272 -10.103 -3.094
13 1H5* U 2 1H5* U 2 -3.462 -13.646 -0.849
14 2H5* U 2 2H5* U 2 -3.595 -13.203 0.863
15 H4* U 2 H4* U 2 -1.384 -12.661 0.154
16 H3* U 2 H3* U 2 -3.203 -10.681 1.116
17 H2* U 2 H2* U 2 -3.050 -9.583 -0.842
18 2HO* U 2 2HO* U 2 -1.802 -7.869 -0.780
19 H1* U 2 H1* U 2 -0.137 -10.475 -0.918
20 H3 U 2 H3 U 2 1.222 -8.542 -4.851
21 H5 U 2 H5 U 2 -2.960 -7.865 -4.727
22 H6 U 2 H6 U 2 -3.057 -9.126 -2.793
23 1H5* G 3 1H5* G 3 1.455 -10.542 2.703
24 2H5* G 3 2H5* G 3 1.584 -9.376 4.036
25 H4* G 3 H4* G 3 3.452 -9.126 2.440
26 H3* G 3 H3* G 3 1.402 -6.815 2.611
27 H2* G 3 H2* G 3 1.581 -6.208 0.923
28 2HO* G 3 2HO* G 3 3.123 -5.473 0.006
29 H1* G 3 H1* G 3 3.906 -7.836 -0.081
30 H8 G 3 H8 G 3 0.389 -7.671 -0.185
31 H1 G 3 H1 G 3 2.954 -4.983 -5.237
32 1H2 G 3 1H2 G 3 4.984 -4.834 -5.077
33 2H2 G 3 2H2 G 3 5.885 -5.355 -3.647
34 1H5* U 4 1H5* U 4 7.307 -5.596 1.478
35 2H5* U 4 2H5* U 4 7.143 -5.353 3.222
36 H4* U 4 H4* U 4 6.780 -3.255 1.873
37 H3* U 4 H3* U 4 4.648 -4.370 3.653
38 H2* U 4 H2* U 4 3.152 -3.873 2.521
39 2HO* U 4 2HO* U 4 2.311 -1.884 2.259
40 H1* U 4 H1* U 4 4.734 -2.084 0.598
41 H3 U 4 H3 U 4 2.244 -2.558 -3.147
42 H5 U 4 H5 U 4 -0.005 -4.483 -0.037
43 H6 U 4 H6 U 4 1.800 -4.212 1.362
44 1H5* G 5 1H5* G 5 6.163 1.359 2.456
45 2H5* G 5 2H5* G 5 4.508 0.842 2.074
46 H4* G 5 H4* G 5 6.894 0.471 0.282
47 H3* G 5 H3* G 5 4.762 2.464 0.482
48 H2* G 5 H2* G 5 3.708 2.545 -1.129
49 2HO* G 5 2HO* G 5 4.411 1.700 -3.068
50 H1* G 5 H1* G 5 4.852 0.159 -2.427
51 H8 G 5 H8 G 5 3.292 0.036 0.368
52 H1 G 5 H1 G 5 -0.821 0.286 -4.446
53 1H2 G 5 1H2 G 5 0.491 0.926 -6.229
54 2H2 G 5 2H2 G 5 2.192 1.271 -6.014
55 1HM5 5MU 6 1HM5 5MU 6 8.304 -0.651 -2.278
56 2HM5 5MU 6 2HM5 5MU 6 6.764 0.213 -2.028
57 3HM5 5MU 6 3HM5 5MU 6 8.199 0.783 -1.183
58 H6 5MU 6 H6 5MU 6 6.917 2.629 -2.155
59 H1* 5MU 6 H1* 5MU 6 6.444 5.105 -4.511
60 H2* 5MU 6 H2* 5MU 6 5.659 3.709 -2.606
61 H3* 5MU 6 H3* 5MU 6 6.134 4.541 -1.117
62 H4* 5MU 6 H4* 5MU 6 7.179 7.218 -1.777
63 1H5* 5MU 6 1H5* 5MU 6 9.216 6.243 -0.804
64 2H5* 5MU 6 2H5* 5MU 6 7.842 5.988 0.282
65 2HO* 5MU 6 2HO* 5MU 6 4.735 3.531 -3.781
66 H3 5MU 6 H3 5MU 6 9.571 1.857 -6.090
67 1H5* U 7 1H5* U 7 2.978 8.275 -4.735
68 2H5* U 7 2H5* U 7 2.026 8.190 -3.253
69 H4* U 7 H4* U 7 0.733 7.596 -4.998
70 H3* U 7 H3* U 7 0.924 5.854 -2.901
71 H2* U 7 H2* U 7 2.634 4.863 -4.129
72 2HO* U 7 2HO* U 7 2.355 2.962 -4.451
73 H1* U 7 H1* U 7 0.656 4.421 -6.467
74 H3 U 7 H3 U 7 4.226 2.449 -8.749
75 H5 U 7 H5 U 7 6.004 5.396 -6.350
76 H6 U 7 H6 U 7 3.562 5.896 -5.471
77 1H5* C 8 1H5* C 8 -4.106 6.316 -3.297
78 2H5* C 8 2H5* C 8 -2.648 5.897 -2.492
79 H4* C 8 H4* C 8 -4.993 3.969 -2.594
80 H3* C 8 H3* C 8 -5.129 6.512 -1.533
81 H2* C 8 H2* C 8 -3.541 6.439 -0.715
82 2HO* C 8 2HO* C 8 -3.805 7.488 0.466
83 H1* C 8 H1* C 8 -3.617 3.903 0.883
84 1H4 C 8 1H4 C 8 2.595 5.223 1.676
85 2H4 C 8 2H4 C 8 2.459 6.664 0.694
86 H5 C 8 H5 C 8 0.359 7.291 -0.493
87 H6 C 8 H6 C 8 -1.879 6.656 -0.931
88 1H5* G 9 1H5* G 9 -6.633 4.543 -4.081
89 2H5* G 9 2H5* G 9 -6.506 6.174 -3.406
90 H4* G 9 H4* G 9 -8.897 5.195 -5.013
91 H3* G 9 H3* G 9 -6.604 5.648 -6.231
92 H2* G 9 H2* G 9 -6.319 7.763 -5.056
93 2HO* G 9 2HO* G 9 -6.618 9.385 -6.671
94 H1* G 9 H1* G 9 -9.233 8.259 -5.931
95 H8 G 9 H8 G 9 -7.612 7.973 -2.695
96 H1 G 9 H1 G 9 -8.794 14.141 -3.956
97 1H2 G 9 1H2 G 9 -9.531 14.302 -6.065
98 2H2 G 9 2H2 G 9 -9.707 12.905 -7.102
99 1H5* A 10 1H5* A 10 -10.309 2.870 -8.735
100 2H5* A 10 2H5* A 10 -11.174 2.694 -7.202
101 H4* A 10 H4* A 10 -9.701 0.667 -7.630
102 H3* A 10 H3* A 10 -9.837 2.034 -5.239
103 H2* A 10 H2* A 10 -7.754 2.939 -5.380
104 2HO* A 10 2HO* A 10 -7.184 0.220 -4.938
105 H1* A 10 H1* A 10 -6.737 0.465 -6.868
106 H8 A 10 H8 A 10 -5.489 2.885 -5.000
107 1H6 A 10 1H6 A 10 -1.631 5.022 -9.352
108 2H6 A 10 2H6 A 10 -1.978 5.008 -7.637
109 H2 A 10 H2 A 10 -4.764 2.504 -11.331
110 1H5* U 11 1H5* U 11 -11.363 -3.996 -4.555
111 2H5* U 11 2H5* U 11 -11.993 -2.617 -3.654
112 H4* U 11 H4* U 11 -9.952 -2.558 -2.252
113 H3* U 11 H3* U 11 -9.107 -5.155 -3.704
114 H2* U 11 H2* U 11 -8.182 -5.858 -1.716
115 2HO* U 11 2HO* U 11 -8.291 -4.629 0.129
116 H1* U 11 H1* U 11 -10.353 -5.246 -0.340
117 H3 U 11 H3 U 11 -12.436 -8.627 -3.690
118 H5 U 11 H5 U 11 -9.706 -9.807 -0.706
119 H6 U 11 H6 U 11 -9.254 -7.460 -0.288
120 1H5* CH 12 1H5* CH 12 -7.879 -1.104 -6.528
121 2H5* CH 12 2H5* CH 12 -8.960 -2.221 -7.351
122 H4* CH 12 H4* CH 12 -6.672 -1.747 -8.450
123 H3* CH 12 H3* CH 12 -8.016 -4.056 -8.815
124 H2* CH 12 H2* CH 12 -7.357 -4.890 -6.642
125 2HO* CH 12 2HO* CH 12 -6.032 -6.707 -7.130
126 H1* CH 12 H1* CH 12 -4.539 -4.120 -7.637
127 HN3 CH 12 HN3 CH 12 -1.887 -4.882 -4.092
128 1H4 CH 12 1H4 CH 12 -2.072 -5.856 -2.031
129 2H4 CH 12 2H4 CH 12 -3.620 -6.365 -1.396
130 H5 CH 12 H5 CH 12 -5.730 -6.065 -2.684
131 H6 CH 12 H6 CH 12 -6.664 -5.243 -4.742
132 1H5* C 13 1H5* C 13 -3.285 -3.170 -10.678
133 2H5* C 13 2H5* C 13 -3.634 -2.410 -9.131
134 H4* C 13 H4* C 13 -2.636 -1.101 -11.664
135 H3* C 13 H3* C 13 -1.341 -1.852 -9.032
136 H2* C 13 H2* C 13 -0.109 0.273 -8.868
137 2HO* C 13 2HO* C 13 -1.165 0.246 -11.296
138 H1* C 13 H1* C 13 -2.053 1.860 -9.384
139 1H4 C 13 1H4 C 13 -2.855 -0.539 -3.421
140 2H4 C 13 2H4 C 13 -4.347 -1.245 -4.009
141 H5 C 13 H5 C 13 -4.927 -1.308 -6.431
142 H6 C 13 H6 C 13 -4.052 -0.411 -8.762
143 1H5* A 14 1H5* A 14 0.895 1.344 -12.096
144 2H5* A 14 2H5* A 14 1.929 0.793 -13.438
145 H4* A 14 H4* A 14 3.273 2.121 -11.931
146 H3* A 14 H3* A 14 3.816 -0.503 -12.653
147 H2* A 14 H2* A 14 3.089 -1.258 -10.961
148 2HO* A 14 2HO* A 14 4.289 -2.521 -10.552
149 H1* A 14 H1* A 14 4.622 0.467 -8.986
150 H8 A 14 H8 A 14 1.299 -1.161 -9.983
151 1H6 A 14 1H6 A 14 0.799 -2.984 -4.120
152 2H6 A 14 2H6 A 14 0.124 -3.053 -5.725
153 H2 A 14 H2 A 14 4.626 -0.611 -4.503
154 1H5* C 15 1H5* C 15 8.347 -0.688 -11.670
155 2H5* C 15 2H5* C 15 6.714 -1.246 -11.259
156 H4* C 15 H4* C 15 9.016 -0.890 -9.288
157 H3* C 15 H3* C 15 7.526 -3.310 -10.476
158 H2* C 15 H2* C 15 7.256 -4.246 -8.784
159 2HO* C 15 2HO* C 15 8.276 -4.834 -7.595
160 H1* C 15 H1* C 15 7.652 -2.153 -6.788
161 1H4 C 15 1H4 C 15 1.684 -4.874 -6.408
162 2H4 C 15 2H4 C 15 1.789 -4.709 -8.142
163 H5 C 15 H5 C 15 3.247 -3.892 -9.355
164 H6 C 15 H6 C 15 5.546 -2.880 -9.543
165 1H5* A 16 1H5* A 16 11.381 -6.578 -9.750
166 2H5* A 16 2H5* A 16 9.876 -5.831 -10.327
167 H4* A 16 H4* A 16 10.234 -7.163 -7.598
168 H3* A 16 H3* A 16 9.093 -8.071 -10.237
169 H2* A 16 H2* A 16 7.178 -8.118 -9.567
170 2HO* A 16 2HO* A 16 6.438 -9.272 -7.876
171 H1* A 16 H1* A 16 7.674 -7.518 -6.582
172 H8 A 16 H8 A 16 6.181 -6.035 -9.409
173 1H6 A 16 1H6 A 16 0.805 -7.357 -6.539
174 2H6 A 16 2H6 A 16 1.512 -6.578 -7.934
175 H2 A 16 H2 A 16 4.215 -9.046 -4.160
176 1H5* G 17 1H5* G 17 9.249 -11.962 -7.445
177 2H5* G 17 2H5* G 17 9.307 -13.387 -8.503
178 H4* G 17 H4* G 17 7.358 -13.279 -6.826
179 H3* G 17 H3* G 17 6.759 -13.456 -9.726
180 H2* G 17 H2* G 17 5.139 -12.462 -9.563
181 2HO* G 17 2HO* G 17 3.145 -12.824 -8.776
182 H1* G 17 H1* G 17 4.999 -12.482 -6.496
183 H8 G 17 H8 G 17 5.850 -10.361 -9.160
184 H1 G 17 H1 G 17 -0.278 -9.946 -7.582
185 1H2 G 17 1H2 G 17 -0.703 -11.543 -6.060
186 2H2 G 17 2H2 G 17 0.597 -12.524 -5.427
187 H3T G 17 H3T G 17 5.919 -15.545 -9.007
Start of MODEL 8
1 1H5* C 1 1H5* C 1 -7.610 -11.279 -4.077
2 2H5* C 1 2H5* C 1 -8.099 -12.985 -4.069
3 H4* C 1 H4* C 1 -5.831 -13.646 -3.370
4 H3* C 1 H3* C 1 -5.360 -10.611 -3.186
5 H2* C 1 H2* C 1 -4.264 -10.591 -4.836
6 2HO* C 1 2HO* C 1 -2.430 -11.276 -4.919
7 H1* C 1 H1* C 1 -3.745 -13.478 -4.698
8 1H4 C 1 1H4 C 1 -0.305 -11.172 -9.699
9 2H4 C 1 2H4 C 1 -1.662 -10.148 -10.090
10 H5 C 1 H5 C 1 -3.409 -10.032 -8.974
11 H6 C 1 H6 C 1 -4.840 -10.868 -6.908
12 H5T C 1 H5T C 1 -7.552 -12.997 -1.815
13 1H5* U 2 1H5* U 2 -1.310 -14.646 -0.800
14 2H5* U 2 2H5* U 2 -2.070 -14.191 0.726
15 H4* U 2 H4* U 2 -0.230 -12.738 -0.006
16 H3* U 2 H3* U 2 -2.677 -11.649 0.917
17 H2* U 2 H2* U 2 -2.980 -10.639 -1.179
18 2HO* U 2 2HO* U 2 -2.298 -8.476 -1.094
19 H1* U 2 H1* U 2 0.058 -10.420 -1.130
20 H3 U 2 H3 U 2 1.100 -8.905 -5.231
21 H5 U 2 H5 U 2 -3.140 -8.562 -4.996
22 H6 U 2 H6 U 2 -3.039 -9.703 -2.996
23 1H5* G 3 1H5* G 3 1.856 -11.248 2.817
24 2H5* G 3 2H5* G 3 2.232 -10.105 4.109
25 H4* G 3 H4* G 3 3.478 -9.486 2.196
26 H3* G 3 H3* G 3 1.154 -7.491 2.555
27 H2* G 3 H2* G 3 1.388 -6.753 0.907
28 2HO* G 3 2HO* G 3 2.923 -6.060 -0.054
29 H1* G 3 H1* G 3 3.584 -8.418 -0.253
30 H8 G 3 H8 G 3 0.118 -8.192 -0.244
31 H1 G 3 H1 G 3 2.700 -5.573 -5.334
32 1H2 G 3 1H2 G 3 4.729 -5.411 -5.189
33 2H2 G 3 2H2 G 3 5.648 -5.952 -3.771
34 1H5* U 4 1H5* U 4 7.045 -5.975 1.946
35 2H5* U 4 2H5* U 4 6.723 -5.634 3.650
36 H4* U 4 H4* U 4 6.485 -3.658 2.081
37 H3* U 4 H3* U 4 4.299 -4.495 3.917
38 H2* U 4 H2* U 4 2.847 -4.334 2.635
39 2HO* U 4 2HO* U 4 1.912 -2.392 2.016
40 H1* U 4 H1* U 4 4.437 -2.645 0.643
41 H3 U 4 H3 U 4 2.074 -3.238 -3.087
42 H5 U 4 H5 U 4 -0.242 -5.118 -0.015
43 H6 U 4 H6 U 4 1.575 -4.822 1.433
44 1H5* G 5 1H5* G 5 6.389 -1.388 1.934
45 2H5* G 5 2H5* G 5 6.620 0.297 2.427
46 H4* G 5 H4* G 5 6.676 -0.181 0.031
47 H3* G 5 H3* G 5 4.397 1.507 0.881
48 H2* G 5 H2* G 5 3.333 1.803 -0.735
49 2HO* G 5 2HO* G 5 4.009 1.217 -2.781
50 H1* G 5 H1* G 5 4.622 -0.349 -2.306
51 H8 G 5 H8 G 5 3.109 -0.780 0.477
52 H1 G 5 H1 G 5 -1.096 -0.232 -4.245
53 1H2 G 5 1H2 G 5 0.107 0.540 -5.958
54 2H2 G 5 2H2 G 5 1.812 0.892 -5.802
55 1HM5 5MU 6 1HM5 5MU 6 6.579 0.017 -2.015
56 2HM5 5MU 6 2HM5 5MU 6 7.937 0.646 -1.070
57 3HM5 5MU 6 3HM5 5MU 6 8.210 -0.627 -2.322
58 H6 5MU 6 H6 5MU 6 6.322 2.340 -1.845
59 H1* 5MU 6 H1* 5MU 6 5.533 5.000 -3.911
60 H2* 5MU 6 H2* 5MU 6 4.889 3.198 -2.282
61 H3* 5MU 6 H3* 5MU 6 5.192 3.873 -0.659
62 H4* 5MU 6 H4* 5MU 6 5.486 6.808 -0.942
63 1H5* 5MU 6 1H5* 5MU 6 7.602 6.305 0.178
64 2H5* 5MU 6 2H5* 5MU 6 6.314 5.481 1.074
65 2HO* 5MU 6 2HO* 5MU 6 4.085 2.987 -3.524
66 H3 5MU 6 H3 5MU 6 9.274 2.650 -5.627
67 1H5* U 7 1H5* U 7 4.074 9.284 -0.402
68 2H5* U 7 2H5* U 7 2.421 8.717 -0.145
69 H4* U 7 H4* U 7 2.569 10.679 -1.395
70 H3* U 7 H3* U 7 0.948 8.633 -2.165
71 H2* U 7 H2* U 7 2.793 7.875 -3.444
72 2HO* U 7 2HO* U 7 2.508 7.661 -5.353
73 H1* U 7 H1* U 7 2.961 10.557 -4.922
74 H3 U 7 H3 U 7 6.762 8.865 -7.016
75 H5 U 7 H5 U 7 6.778 7.048 -3.208
76 H6 U 7 H6 U 7 4.536 8.375 -2.791
77 1H5* C 8 1H5* C 8 -2.725 10.221 -2.519
78 2H5* C 8 2H5* C 8 -1.537 9.196 -1.787
79 H4* C 8 H4* C 8 -3.724 7.931 -3.433
80 H3* C 8 H3* C 8 -4.272 9.698 -1.399
81 H2* C 8 H2* C 8 -3.045 9.104 -0.235
82 2HO* C 8 2HO* C 8 -3.705 9.422 1.207
83 H1* C 8 H1* C 8 -3.575 6.119 -0.176
84 1H4 C 8 1H4 C 8 1.880 6.185 3.187
85 2H4 C 8 2H4 C 8 2.102 7.894 2.877
86 H5 C 8 H5 C 8 0.558 9.210 1.414
87 H6 C 8 H6 C 8 -1.379 9.097 0.063
88 1H5* G 9 1H5* G 9 -5.347 4.766 -4.208
89 2H5* G 9 2H5* G 9 -5.089 6.508 -4.281
90 H4* G 9 H4* G 9 -7.835 5.232 -3.888
91 H3* G 9 H3* G 9 -6.592 4.978 -6.213
92 H2* G 9 H2* G 9 -6.124 7.344 -6.311
93 2HO* G 9 2HO* G 9 -8.630 7.187 -7.673
94 H1* G 9 H1* G 9 -9.061 7.732 -5.498
95 H8 G 9 H8 G 9 -5.897 8.531 -3.838
96 H1 G 9 H1 G 9 -8.317 13.829 -6.496
97 1H2 G 9 1H2 G 9 -10.091 13.258 -7.739
98 2H2 G 9 2H2 G 9 -10.633 11.601 -7.886
99 1H5* A 10 1H5* A 10 -10.789 2.728 -8.880
100 2H5* A 10 2H5* A 10 -11.716 2.128 -7.494
101 H4* A 10 H4* A 10 -10.034 0.400 -8.102
102 H3* A 10 H3* A 10 -10.173 1.496 -5.481
103 H2* A 10 H2* A 10 -8.163 2.445 -5.569
104 2HO* A 10 2HO* A 10 -7.653 -0.325 -5.386
105 H1* A 10 H1* A 10 -7.184 0.230 -7.434
106 H8 A 10 H8 A 10 -5.749 2.123 -5.205
107 1H6 A 10 1H6 A 10 -1.996 5.050 -9.168
108 2H6 A 10 2H6 A 10 -2.268 4.651 -7.487
109 H2 A 10 H2 A 10 -5.358 3.211 -11.490
110 1H5* U 11 1H5* U 11 -11.194 -4.671 -4.817
111 2H5* U 11 2H5* U 11 -11.650 -3.403 -3.673
112 H4* U 11 H4* U 11 -9.359 -3.357 -2.767
113 H3* U 11 H3* U 11 -8.702 -5.352 -4.935
114 H2* U 11 H2* U 11 -8.542 -6.968 -3.640
115 2HO* U 11 2HO* U 11 -6.619 -6.908 -2.220
116 H1* U 11 H1* U 11 -8.354 -4.999 -1.386
117 H3 U 11 H3 U 11 -10.536 -7.842 1.805
118 H5 U 11 H5 U 11 -7.988 -10.117 -0.683
119 H6 U 11 H6 U 11 -7.803 -8.249 -2.120
120 1H5* CH 12 1H5* CH 12 -8.291 -1.382 -7.059
121 2H5* CH 12 2H5* CH 12 -9.222 -2.623 -7.881
122 H4* CH 12 H4* CH 12 -7.221 -1.570 -9.115
123 H3* CH 12 H3* CH 12 -8.146 -4.042 -9.646
124 H2* CH 12 H2* CH 12 -7.102 -5.001 -7.757
125 2HO* CH 12 2HO* CH 12 -5.472 -6.391 -8.566
126 H1* CH 12 H1* CH 12 -4.539 -3.570 -8.733
127 HN3 CH 12 HN3 CH 12 -1.589 -4.424 -5.482
128 1H4 CH 12 1H4 CH 12 -1.497 -5.653 -3.563
129 2H4 CH 12 2H4 CH 12 -2.916 -6.451 -2.921
130 H5 CH 12 H5 CH 12 -5.125 -6.316 -4.057
131 H6 CH 12 H6 CH 12 -6.290 -5.371 -5.964
132 1H5* C 13 1H5* C 13 -5.329 -1.425 -10.198
133 2H5* C 13 2H5* C 13 -6.197 0.011 -10.765
134 H4* C 13 H4* C 13 -4.300 0.724 -11.891
135 H3* C 13 H3* C 13 -3.251 -1.818 -11.863
136 H2* C 13 H2* C 13 -2.771 -1.739 -9.832
137 2HO* C 13 2HO* C 13 -0.969 -2.096 -9.587
138 H1* C 13 H1* C 13 -1.461 1.021 -9.807
139 1H4 C 13 1H4 C 13 -2.595 -1.026 -3.669
140 2H4 C 13 2H4 C 13 -4.191 -1.515 -4.187
141 H5 C 13 H5 C 13 -4.967 -1.437 -6.513
142 H6 C 13 H6 C 13 -4.324 -0.653 -8.795
143 1H5* A 14 1H5* A 14 1.296 0.441 -13.412
144 2H5* A 14 2H5* A 14 0.750 -0.758 -12.227
145 H4* A 14 H4* A 14 2.435 1.698 -11.703
146 H3* A 14 H3* A 14 3.161 -0.972 -12.383
147 H2* A 14 H2* A 14 2.644 -1.775 -10.570
148 2HO* A 14 2HO* A 14 4.088 -2.003 -9.159
149 H1* A 14 H1* A 14 3.650 0.509 -8.779
150 H8 A 14 H8 A 14 0.759 -1.604 -9.618
151 1H6 A 14 1H6 A 14 0.643 -3.768 -3.976
152 2H6 A 14 2H6 A 14 -0.087 -3.667 -5.551
153 H2 A 14 H2 A 14 4.296 -0.974 -4.382
154 1H5* C 15 1H5* C 15 7.610 -0.018 -10.641
155 2H5* C 15 2H5* C 15 8.403 -1.196 -11.704
156 H4* C 15 H4* C 15 8.820 -1.785 -9.383
157 H3* C 15 H3* C 15 6.881 -3.770 -10.727
158 H2* C 15 H2* C 15 6.969 -4.907 -8.900
159 2HO* C 15 2HO* C 15 8.443 -5.393 -8.383
160 H1* C 15 H1* C 15 7.347 -2.860 -6.957
161 1H4 C 15 1H4 C 15 1.377 -5.391 -6.443
162 2H4 C 15 2H4 C 15 1.452 -5.325 -8.179
163 H5 C 15 H5 C 15 2.914 -4.585 -9.469
164 H6 C 15 H6 C 15 5.236 -3.592 -9.721
165 1H5* A 16 1H5* A 16 10.631 -5.553 -8.725
166 2H5* A 16 2H5* A 16 11.487 -7.018 -9.216
167 H4* A 16 H4* A 16 9.954 -7.609 -7.491
168 H3* A 16 H3* A 16 9.136 -8.587 -10.238
169 H2* A 16 H2* A 16 7.193 -8.702 -9.727
170 2HO* A 16 2HO* A 16 6.416 -9.794 -7.988
171 H1* A 16 H1* A 16 7.447 -7.981 -6.741
172 H8 A 16 H8 A 16 6.069 -6.688 -9.745
173 1H6 A 16 1H6 A 16 0.609 -7.974 -7.006
174 2H6 A 16 2H6 A 16 1.338 -7.256 -8.425
175 H2 A 16 H2 A 16 3.979 -9.406 -4.397
176 1H5* G 17 1H5* G 17 9.610 -12.276 -7.260
177 2H5* G 17 2H5* G 17 9.757 -13.796 -8.162
178 H4* G 17 H4* G 17 7.802 -13.614 -6.469
179 H3* G 17 H3* G 17 7.215 -14.168 -9.329
180 H2* G 17 H2* G 17 5.505 -13.323 -9.246
181 2HO* G 17 2HO* G 17 3.584 -13.762 -8.343
182 H1* G 17 H1* G 17 5.423 -12.959 -6.197
183 H8 G 17 H8 G 17 6.037 -11.119 -9.122
184 H1 G 17 H1 G 17 -0.065 -11.084 -7.359
185 1H2 G 17 1H2 G 17 -0.260 -12.508 -5.636
186 2H2 G 17 2H2 G 17 1.152 -13.275 -4.953
187 H3T G 17 H3T G 17 6.559 -16.232 -8.379
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