0 mol 39 unq 0 iso 0 dist 6.12212 8.99138 8.62842 11.6261 8.19733 12.6438 8.45505 7.99016 13.5457 5.94068 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 6.12212 8.99138 8.62842 11.6261 8.19733 12.6438 8.17661 6.41793 13.891 6.96883 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 6.12212 8.99138 8.62842 11.6261 8.19733 12.6438 3.85593 6.50101 11.5159 9.56481 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 6.12212 8.99138 8.62842 5.48821 8.57165 7.19373 8.45505 7.99016 13.5457 13.5954 numMergedOcc 0
4 mol 39 unq 4 iso 0 dist 6.12212 8.99138 8.62842 5.48821 8.57165 7.19373 8.17661 6.41793 13.891 13.0639 numMergedOcc 0
5 mol 39 unq 5 iso 0 dist 6.12212 8.99138 8.62842 5.48821 8.57165 7.19373 3.85593 6.50101 11.5159 9.32558 numMergedOcc 0
6 mol 39 unq 6 iso 0 dist 6.12212 8.93137 8.27298 11.6261 8.19733 15.6407 8.45505 7.99016 15.5017 5.94068 numMergedOcc 0
7 mol 39 unq 7 iso 0 dist 6.12212 8.93137 8.27298 11.6261 8.19733 15.6407 8.17661 6.41793 14.3169 6.96883 numMergedOcc 0
8 mol 39 unq 8 iso 0 dist 6.12212 8.93137 8.27298 11.6261 8.19733 15.6407 3.85593 6.50101 12.1737 9.56481 numMergedOcc 0
9 mol 39 unq 9 iso 0 dist 6.12212 8.93137 8.27298 5.48821 8.57165 5.14632 8.45505 7.99016 15.5017 13.5954 numMergedOcc 0
10 mol 39 unq 10 iso 0 dist 6.12212 8.93137 8.27298 5.48821 8.57165 5.14632 8.17661 6.41793 14.3169 13.0639 numMergedOcc 0
11 mol 39 unq 11 iso 0 dist 6.12212 8.93137 8.27298 5.48821 8.57165 5.14632 3.85593 6.50101 12.1737 9.32558 numMergedOcc 0
12 mol 39 unq 12 iso 0 dist 6.12212 7.98431 8.56111 11.6261 8.19733 16.7059 8.45505 7.99016 14.9261 5.94068 numMergedOcc 0
13 mol 39 unq 13 iso 0 dist 6.12212 7.98431 8.56111 11.6261 8.19733 16.7059 8.17661 6.41793 12.978 6.96883 numMergedOcc 0
14 mol 39 unq 14 iso 0 dist 6.12212 7.98431 8.56111 11.6261 8.19733 16.7059 3.85593 6.50101 10.8309 9.56481 numMergedOcc 0
15 mol 39 unq 15 iso 0 dist 6.12212 7.98431 8.56111 5.48821 8.57165 5.90834 8.45505 7.99016 14.9261 13.5954 numMergedOcc 0
16 mol 39 unq 16 iso 0 dist 6.12212 7.98431 8.56111 5.48821 8.57165 5.90834 8.17661 6.41793 12.978 13.0639 numMergedOcc 0
17 mol 39 unq 17 iso 0 dist 6.12212 7.98431 8.56111 5.48821 8.57165 5.90834 3.85593 6.50101 10.8309 9.32558 numMergedOcc 0
18 mol 68 unq 0 iso 0 dist 5.74389 10.8348 9.48391 10.492 8.80104 10.3036 4.62009 8.05514 15.0868 11.8533 numMergedOcc 0
19 mol 71 unq 0 iso 0 dist 8.67545 9.13065 9.0907 6.82169 6.48531 4.77689 10.3685 9.16452 7.5886 4.36469 numMergedOcc 0
20 mol 74 unq 0 iso 0 dist 9.43699 15.2079 9.60205 10.1834 4.79413 6.32526 8.38339 6.3567 11.588 5.38404 numMergedOcc 0
21 mol 74 unq 1 iso 0 dist 5.23115 6.2954 9.60205 3.94075 4.79413 6.32526 8.14688 6.3567 11.588 5.38404 numMergedOcc 0
22 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 12.5605 7.85041 11.2152 3.91263 7.8435 10.5249 12.1673 numMergedOcc 0
23 mol 93 unq 1 iso 0 dist 8.42713 12.7083 5.89661 12.5605 7.85041 11.2152 5.59024 5.99269 10.3971 7.30779 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 8.42713 12.7083 5.89661 12.5605 7.85041 11.2152 12.9872 5.71763 8.75661 9.18194 numMergedOcc 0
25 mol 93 unq 3 iso 0 dist 8.21032 7.44572 5.89661 10.878 7.85041 11.2152 15.8131 7.8435 10.5249 12.1673 numMergedOcc 0
26 mol 93 unq 4 iso 0 dist 8.21032 7.44572 5.89661 10.878 7.85041 11.2152 13.6266 5.99269 10.3971 7.30779 numMergedOcc 0
27 mol 93 unq 5 iso 0 dist 8.21032 7.44572 5.89661 10.878 7.85041 11.2152 5.17052 5.71763 8.75661 9.18194 numMergedOcc 0
28 mol 130 unq 0 iso 0 dist 6.62468 5.76927 7.67321 6.53156 6.82089 11.1982 8.17131 8.24966 11.6 4.02212 numMergedOcc 0
29 mol 130 unq 1 iso 0 dist 6.62468 5.76927 7.67321 4.72188 5.38314 6.1956 8.17131 8.24966 11.6 5.46642 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 4.10092 5.1101 10.6903 11.5768 9.43989 15.6865 11.4653 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 6.4752 14.5183 9.95533 4.47436 7.01133 15.5982 11.5768 9.43989 15.6865 7.68412 numMergedOcc 0
32 mol 147 unq 2 iso 0 dist 6.4752 13.8716 7.94147 4.10092 5.1101 12.5048 11.5768 9.43989 8.57724 11.4653 numMergedOcc 0
33 mol 147 unq 3 iso 0 dist 6.4752 13.8716 7.94147 4.47436 7.01133 12.2623 11.5768 9.43989 8.57724 7.68412 numMergedOcc 0
34 mol 250 unq 0 iso 0 dist 9.43554 11.3347 9.84682 14.0983 8.70484 10.875 6.9412 7.22664 4.59201 9.91231 numMergedOcc 0
35 mol 250 unq 1 iso 0 dist 9.43554 11.3347 9.84682 14.0983 8.70484 10.875 6.56481 7.15762 10.7903 8.25599 numMergedOcc 0
36 mol 250 unq 2 iso 0 dist 9.43554 14.0873 8.26719 14.0983 8.70484 6.39204 6.9412 7.22664 12.7172 9.91231 numMergedOcc 0
37 mol 250 unq 3 iso 0 dist 9.43554 14.0873 8.26719 14.0983 8.70484 6.39204 6.56481 7.15762 8.25498 8.25599 numMergedOcc 0
38 mol 250 unq 4 iso 0 dist 9.21681 17.9595 9.84682 10.9117 8.70484 10.875 15.9167 7.22664 4.59201 9.91231 numMergedOcc 0
39 mol 250 unq 5 iso 0 dist 9.21681 17.9595 9.84682 10.9117 8.70484 10.875 12.9916 7.15762 10.7903 8.25599 numMergedOcc 0
40 mol 250 unq 6 iso 0 dist 9.21681 6.37495 8.26719 10.9117 8.70484 6.39204 15.9167 7.22664 12.7172 9.91231 numMergedOcc 0
41 mol 250 unq 7 iso 0 dist 9.21681 6.37495 8.26719 10.9117 8.70484 6.39204 12.9916 7.15762 8.25498 8.25599 numMergedOcc 0
42 mol 252 unq 0 iso 0 dist 9.81593 12.5748 6.97105 7.31906 5.2361 5.3935 9.75376 8.19529 4.3968 4.21466 numMergedOcc 0
43 mol 252 unq 1 iso 0 dist 9.81593 12.5748 6.97105 7.31906 5.2361 5.3935 10.8474 6.45396 5.75377 6.19861 numMergedOcc 0
44 mol 252 unq 2 iso 0 dist 9.81593 12.5748 6.97105 12.2338 5.57515 11.142 9.75376 8.19529 4.3968 11.9287 numMergedOcc 0
45 mol 252 unq 3 iso 0 dist 9.81593 12.5748 6.97105 12.2338 5.57515 11.142 10.8474 6.45396 5.75377 7.84988 numMergedOcc 0
46 mol 252 unq 4 iso 0 dist 9.81593 12.5748 6.97105 14.2535 8.28694 10.9527 9.75376 8.19529 4.3968 11.5083 numMergedOcc 0
47 mol 252 unq 5 iso 0 dist 9.81593 12.5748 6.97105 14.2535 8.28694 10.9527 10.8474 6.45396 5.75377 6.38319 numMergedOcc 0
48 mol 252 unq 6 iso 0 dist 9.78248 10.0697 6.97105 12.8039 5.2361 5.3935 12.4311 8.19529 4.3968 4.21466 numMergedOcc 0
49 mol 252 unq 7 iso 0 dist 9.78248 10.0697 6.97105 12.8039 5.2361 5.3935 8.1205 6.45396 5.75377 6.19861 numMergedOcc 0
50 mol 252 unq 8 iso 0 dist 9.78248 10.0697 6.97105 8.32839 5.57515 11.142 12.4311 8.19529 4.3968 11.9287 numMergedOcc 0
51 mol 252 unq 9 iso 0 dist 9.78248 10.0697 6.97105 8.32839 5.57515 11.142 8.1205 6.45396 5.75377 7.84988 numMergedOcc 0
52 mol 252 unq 10 iso 0 dist 9.78248 10.0697 6.97105 5.63228 8.28694 10.9527 12.4311 8.19529 4.3968 11.5083 numMergedOcc 0
53 mol 252 unq 11 iso 0 dist 9.78248 10.0697 6.97105 5.63228 8.28694 10.9527 8.1205 6.45396 5.75377 6.38319 numMergedOcc 0
54 mol 279 unq 0 iso 0 dist 5.63154 8.29352 7.84195 7.73611 8.23056 9.55097 3.77031 5.8304 5.03747 6.25207 numMergedOcc 0
55 mol 279 unq 1 iso 0 dist 5.63154 8.29352 7.84195 7.73611 8.23056 9.55097 9.11782 7.37478 14.9354 10.8722 numMergedOcc 0
56 mol 279 unq 2 iso 0 dist 5.63154 6.34006 9.2174 7.73611 8.23056 9.91994 3.77031 5.8304 9.59972 6.25207 numMergedOcc 0
57 mol 279 unq 3 iso 0 dist 5.63154 6.34006 9.2174 7.73611 8.23056 9.91994 9.11782 7.37478 6.63427 10.8722 numMergedOcc 0
