0 mol 26 unq 0 iso 0 dist 9.72597 9.51421 8.42581 5.7075 7.90721 5.11733 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.62842 12.6438 8.19733 13.5457 7.99016 5.94068 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 8.62842 12.6438 8.19733 13.891 6.41793 6.96883 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 8.62842 12.6438 8.19733 11.5159 6.50101 9.56481 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 8.62842 7.19373 8.57165 13.5457 7.99016 13.5954 numMergedOcc 0
5 mol 39 unq 4 iso 0 dist 8.62842 7.19373 8.57165 13.891 6.41793 13.0639 numMergedOcc 0
6 mol 39 unq 5 iso 0 dist 8.62842 7.19373 8.57165 11.5159 6.50101 9.32558 numMergedOcc 0
7 mol 39 unq 6 iso 0 dist 8.27298 15.6407 8.19733 15.5017 7.99016 5.94068 numMergedOcc 0
8 mol 39 unq 7 iso 0 dist 8.27298 15.6407 8.19733 14.3169 6.41793 6.96883 numMergedOcc 0
9 mol 39 unq 8 iso 0 dist 8.27298 15.6407 8.19733 12.1737 6.50101 9.56481 numMergedOcc 0
10 mol 39 unq 9 iso 0 dist 8.27298 5.14632 8.57165 15.5017 7.99016 13.5954 numMergedOcc 0
11 mol 39 unq 10 iso 0 dist 8.27298 5.14632 8.57165 14.3169 6.41793 13.0639 numMergedOcc 0
12 mol 39 unq 11 iso 0 dist 8.27298 5.14632 8.57165 12.1737 6.50101 9.32558 numMergedOcc 0
13 mol 39 unq 12 iso 0 dist 8.56111 16.7059 8.19733 14.9261 7.99016 5.94068 numMergedOcc 0
14 mol 39 unq 13 iso 0 dist 8.56111 16.7059 8.19733 12.978 6.41793 6.96883 numMergedOcc 0
15 mol 39 unq 14 iso 0 dist 8.56111 16.7059 8.19733 10.8309 6.50101 9.56481 numMergedOcc 0
16 mol 39 unq 15 iso 0 dist 8.56111 5.90834 8.57165 14.9261 7.99016 13.5954 numMergedOcc 0
17 mol 39 unq 16 iso 0 dist 8.56111 5.90834 8.57165 12.978 6.41793 13.0639 numMergedOcc 0
18 mol 39 unq 17 iso 0 dist 8.56111 5.90834 8.57165 10.8309 6.50101 9.32558 numMergedOcc 0
19 mol 56 unq 0 iso 0 dist 9.01516 16.3372 8.98797 13.6231 5.07125 6.43007 numMergedOcc 0
20 mol 56 unq 1 iso 0 dist 7.31255 7.1144 8.98797 8.33154 5.07125 6.43007 numMergedOcc 0
21 mol 68 unq 0 iso 0 dist 9.48391 10.3036 8.80104 15.0868 8.05514 11.8533 numMergedOcc 0
22 mol 71 unq 0 iso 0 dist 9.0907 4.77689 6.48531 7.5886 9.16452 4.36469 numMergedOcc 0
23 mol 74 unq 0 iso 0 dist 9.60205 6.32526 4.79413 11.588 6.3567 5.38404 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 5.89661 11.2152 7.85041 10.5249 7.8435 12.1673 numMergedOcc 0
25 mol 93 unq 1 iso 0 dist 5.89661 11.2152 7.85041 10.3971 5.99269 7.30779 numMergedOcc 0
26 mol 93 unq 2 iso 0 dist 5.89661 11.2152 7.85041 8.75661 5.71763 9.18194 numMergedOcc 0
27 mol 130 unq 0 iso 0 dist 7.67321 11.1982 6.82089 11.6 8.24966 4.02212 numMergedOcc 0
28 mol 130 unq 1 iso 0 dist 7.67321 6.1956 5.38314 11.6 8.24966 5.46642 numMergedOcc 0
29 mol 147 unq 0 iso 0 dist 9.95533 10.6903 5.1101 15.6865 9.43989 11.4653 numMergedOcc 0
30 mol 147 unq 1 iso 0 dist 9.95533 15.5982 7.01133 15.6865 9.43989 7.68412 numMergedOcc 0
31 mol 147 unq 2 iso 0 dist 7.94147 12.5048 5.1101 8.57724 9.43989 11.4653 numMergedOcc 0
32 mol 147 unq 3 iso 0 dist 7.94147 12.2623 7.01133 8.57724 9.43989 7.68412 numMergedOcc 0
33 mol 171 unq 0 iso 0 dist 6.27462 5.93464 5.73148 14.6076 9.13027 11.9654 numMergedOcc 0
34 mol 193 unq 0 iso 0 dist 7.46207 6.6036 8.76185 14.5951 7.39445 14.0247 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 9.2457 12.7871 9.06084 6.24324 8.52295 10.72 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.62121 5.30958 7.61203 14.0336 6.53286 9.75095 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 9.62121 7.68455 9.47845 14.0336 6.53286 11.7938 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 9.62121 6.2139 6.92409 14.0336 6.53286 11.7709 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 9.62121 12.3809 6.89694 14.0336 6.53286 6.12722 numMergedOcc 0
40 mol 250 unq 0 iso 0 dist 9.84682 10.875 8.70484 4.59201 7.22664 9.91231 numMergedOcc 0
41 mol 250 unq 1 iso 0 dist 9.84682 10.875 8.70484 10.7903 7.15762 8.25599 numMergedOcc 0
42 mol 250 unq 2 iso 0 dist 8.26719 6.39204 8.70484 12.7172 7.22664 9.91231 numMergedOcc 0
43 mol 250 unq 3 iso 0 dist 8.26719 6.39204 8.70484 8.25498 7.15762 8.25599 numMergedOcc 0
44 mol 252 unq 0 iso 0 dist 6.97105 5.3935 5.2361 4.3968 8.19529 4.21466 numMergedOcc 0
45 mol 252 unq 1 iso 0 dist 6.97105 5.3935 5.2361 5.75377 6.45396 6.19861 numMergedOcc 0
46 mol 252 unq 2 iso 0 dist 6.97105 11.142 5.57515 4.3968 8.19529 11.9287 numMergedOcc 0
47 mol 252 unq 3 iso 0 dist 6.97105 11.142 5.57515 5.75377 6.45396 7.84988 numMergedOcc 0
48 mol 252 unq 4 iso 0 dist 6.97105 10.9527 8.28694 4.3968 8.19529 11.5083 numMergedOcc 0
49 mol 252 unq 5 iso 0 dist 6.97105 10.9527 8.28694 5.75377 6.45396 6.38319 numMergedOcc 0
50 mol 279 unq 0 iso 0 dist 7.84195 9.55097 8.23056 5.03747 5.8304 6.25207 numMergedOcc 0
51 mol 279 unq 1 iso 0 dist 7.84195 9.55097 8.23056 14.9354 7.37478 10.8722 numMergedOcc 0
52 mol 279 unq 2 iso 0 dist 9.2174 9.91994 8.23056 9.59972 5.8304 6.25207 numMergedOcc 0
53 mol 279 unq 3 iso 0 dist 9.2174 9.91994 8.23056 6.63427 7.37478 10.8722 numMergedOcc 0
