0 mol 26 unq 0 iso 0 dist 9.46609 5.36736 9.97991 6.0606 6.38243 5.21951 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 6.12212 8.99138 8.62842 8.45505 7.99016 13.5457 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.12212 8.99138 8.62842 8.17661 6.41793 13.891 numMergedOcc 0
3 mol 39 unq 2 iso 0 dist 6.12212 8.99138 8.62842 3.85593 6.50101 11.5159 numMergedOcc 0
4 mol 39 unq 3 iso 0 dist 6.12212 8.93137 8.27298 8.45505 7.99016 15.5017 numMergedOcc 0
5 mol 39 unq 4 iso 0 dist 6.12212 8.93137 8.27298 8.17661 6.41793 14.3169 numMergedOcc 0
6 mol 39 unq 5 iso 0 dist 6.12212 8.93137 8.27298 3.85593 6.50101 12.1737 numMergedOcc 0
7 mol 39 unq 6 iso 0 dist 6.12212 7.98431 8.56111 8.45505 7.99016 14.9261 numMergedOcc 0
8 mol 39 unq 7 iso 0 dist 6.12212 7.98431 8.56111 8.17661 6.41793 12.978 numMergedOcc 0
9 mol 39 unq 8 iso 0 dist 6.12212 7.98431 8.56111 3.85593 6.50101 10.8309 numMergedOcc 0
10 mol 68 unq 0 iso 0 dist 5.74389 10.8348 9.48391 4.62009 8.05514 15.0868 numMergedOcc 0
11 mol 71 unq 0 iso 0 dist 8.67545 9.13065 9.0907 10.3685 9.16452 7.5886 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.53468 14.5223 8.0534 10.0936 7.69861 11.5328 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 5.90954 11.7502 8.0534 3.45332 7.69861 11.5328 numMergedOcc 0
14 mol 74 unq 0 iso 0 dist 9.43699 15.2079 9.60205 8.38339 6.3567 11.588 numMergedOcc 0
15 mol 74 unq 1 iso 0 dist 5.23115 6.2954 9.60205 8.14688 6.3567 11.588 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 3.91263 7.8435 10.5249 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 8.42713 12.7083 5.89661 5.59024 5.99269 10.3971 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.42713 12.7083 5.89661 12.9872 5.71763 8.75661 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 8.21032 7.44572 5.89661 15.8131 7.8435 10.5249 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 8.21032 7.44572 5.89661 13.6266 5.99269 10.3971 numMergedOcc 0
21 mol 93 unq 5 iso 0 dist 8.21032 7.44572 5.89661 5.17052 5.71763 8.75661 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 6.62468 5.76927 7.67321 8.17131 8.24966 11.6 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.0733 7.55155 6.39075 3.75291 9.05336 10.3049 numMergedOcc 0
24 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 11.5768 9.43989 15.6865 numMergedOcc 0
25 mol 147 unq 1 iso 0 dist 6.4752 13.8716 7.94147 11.5768 9.43989 8.57724 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 6.69054 13.9794 9.85967 8.2542 8.999 13.1165 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 6.69054 6.81989 9.7578 8.2542 8.999 14.7654 numMergedOcc 0
28 mol 173 unq 0 iso 0 dist 5.36078 8.46059 8.44479 3.83661 7.17037 6.21272 numMergedOcc 0
29 mol 173 unq 1 iso 0 dist 5.36078 11.3004 9.00002 3.83661 7.17037 10.8086 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 9.65075 5.60637 9.42463 13.5289 9.57955 16.704 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 9.65075 5.60637 9.42463 6.40342 8.79277 10.6864 numMergedOcc 0
32 mol 250 unq 0 iso 0 dist 9.43554 11.3347 9.84682 6.9412 7.22664 4.59201 numMergedOcc 0
33 mol 250 unq 1 iso 0 dist 9.43554 11.3347 9.84682 6.56481 7.15762 10.7903 numMergedOcc 0
34 mol 250 unq 2 iso 0 dist 9.43554 14.0873 8.26719 6.9412 7.22664 12.7172 numMergedOcc 0
35 mol 250 unq 3 iso 0 dist 9.43554 14.0873 8.26719 6.56481 7.15762 8.25498 numMergedOcc 0
36 mol 250 unq 4 iso 0 dist 9.21681 17.9595 9.84682 15.9167 7.22664 4.59201 numMergedOcc 0
37 mol 250 unq 5 iso 0 dist 9.21681 17.9595 9.84682 12.9916 7.15762 10.7903 numMergedOcc 0
38 mol 250 unq 6 iso 0 dist 9.21681 6.37495 8.26719 15.9167 7.22664 12.7172 numMergedOcc 0
39 mol 250 unq 7 iso 0 dist 9.21681 6.37495 8.26719 12.9916 7.15762 8.25498 numMergedOcc 0
40 mol 252 unq 0 iso 0 dist 9.81593 12.5748 6.97105 9.75376 8.19529 4.3968 numMergedOcc 0
41 mol 252 unq 1 iso 0 dist 9.81593 12.5748 6.97105 10.8474 6.45396 5.75377 numMergedOcc 0
42 mol 252 unq 2 iso 0 dist 9.78248 10.0697 6.97105 12.4311 8.19529 4.3968 numMergedOcc 0
43 mol 252 unq 3 iso 0 dist 9.78248 10.0697 6.97105 8.1205 6.45396 5.75377 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 5.63154 8.29352 7.84195 3.77031 5.8304 5.03747 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 5.63154 8.29352 7.84195 9.11782 7.37478 14.9354 numMergedOcc 0
46 mol 279 unq 2 iso 0 dist 5.63154 6.34006 9.2174 3.77031 5.8304 9.59972 numMergedOcc 0
47 mol 279 unq 3 iso 0 dist 5.63154 6.34006 9.2174 9.11782 7.37478 6.63427 numMergedOcc 0
