0 mol 11 unq 0 iso 0 dist 5.96346 8.05213 8.73067 4.10106 6.859 9.58844 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.40416 6.74265 7.02548 10.4416 8.54034 4.01494 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.75618 5.5841 7.02548 8.7083 8.54034 4.01494 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.85556 5.09159 9.62401 5.86705 6.29797 6.25564 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.46104 11.0099 7.3022 5.56139 6.07276 10.267 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 7.36856 4.74747 7.3022 7.73394 6.07276 10.267 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 8.51663 5.0364 6.42834 13.4019 6.21128 9.95354 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.80614 13.9007 7.6481 11.3019 7.58739 4.39445 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.80614 13.9007 7.6481 9.87158 9.01564 10.7557 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 8.80614 13.9007 7.6481 5.86526 7.11065 9.1083 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 8.80614 6.47744 9.11258 11.3019 7.58739 13.2208 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 8.80614 6.47744 9.11258 9.87158 9.01564 14.6599 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 8.80614 6.47744 9.11258 5.86526 7.11065 9.47022 numMergedOcc 0
13 mol 61 unq 0 iso 0 dist 9.25641 5.94559 7.46994 8.89519 8.60069 4.50442 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 9.24757 7.41074 7.10439 6.20232 8.96616 6.10063 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 9.24757 7.41074 7.10439 5.70116 6.14542 6.15714 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 9.82915 15.8792 6.05495 11.9064 5.05893 7.2898 numMergedOcc 0
17 mol 85 unq 1 iso 0 dist 9.82915 15.8792 6.05495 14.7521 5.71866 4.13305 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.69991 6.69989 8.55616 12.847 9.0176 9.48887 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 7.69991 10.1448 8.73604 12.847 9.0176 5.67107 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 6.23142 5.3585 8.55616 8.06642 9.0176 9.48887 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 6.23142 5.41704 8.73604 8.06642 9.0176 5.67107 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 9.94764 6.74887 8.55616 4.00092 9.0176 9.48887 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 9.94764 6.17103 8.73604 4.00092 9.0176 5.67107 numMergedOcc 0
24 mol 135 unq 0 iso 0 dist 5.62052 4.91422 9.15377 8.50814 7.28318 9.89298 numMergedOcc 0
25 mol 135 unq 1 iso 0 dist 7.90563 7.66205 7.12936 8.50814 7.17599 7.43379 numMergedOcc 0
26 mol 135 unq 2 iso 0 dist 7.85645 6.35261 9.15377 3.95636 7.28318 9.89298 numMergedOcc 0
27 mol 135 unq 3 iso 0 dist 8.97655 6.69568 7.12936 3.95636 7.17599 7.43379 numMergedOcc 0
28 mol 141 unq 0 iso 0 dist 8.10291 10.5489 4.25566 4.32342 7.42144 10.9801 numMergedOcc 0
29 mol 141 unq 1 iso 0 dist 8.10291 10.5489 4.25566 7.17845 6.27658 10.0279 numMergedOcc 0
30 mol 141 unq 2 iso 0 dist 8.10291 6.71391 6.63171 4.32342 7.42144 6.88786 numMergedOcc 0
31 mol 141 unq 3 iso 0 dist 8.10291 6.71391 6.63171 7.17845 6.27658 6.8633 numMergedOcc 0
32 mol 141 unq 4 iso 0 dist 8.10291 6.6258 7.67273 4.32342 7.42144 9.63622 numMergedOcc 0
33 mol 141 unq 5 iso 0 dist 8.10291 6.6258 7.67273 7.17845 6.27658 10.8428 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 7.78652 10.0989 6.97487 4.78563 5.06564 5.43382 numMergedOcc 0
35 mol 143 unq 1 iso 0 dist 7.78652 6.01455 6.46089 4.78563 5.06564 4.38322 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 7.92304 6.34186 9.80845 4.91785 9.16358 4.48516 numMergedOcc 0
37 mol 155 unq 1 iso 0 dist 8.69157 5.48883 9.0529 12.6999 9.24038 12.0485 numMergedOcc 0
38 mol 155 unq 2 iso 0 dist 8.69157 8.78665 7.55196 12.6999 9.24038 4.48516 numMergedOcc 0
39 mol 155 unq 3 iso 0 dist 6.53347 9.36596 9.0529 7.10286 9.24038 12.0485 numMergedOcc 0
40 mol 155 unq 4 iso 0 dist 6.53347 5.40375 7.55196 7.10286 9.24038 4.48516 numMergedOcc 0
41 mol 159 unq 0 iso 0 dist 8.4858 4.57561 5.9032 4.48323 9.35202 4.27525 numMergedOcc 0
42 mol 159 unq 1 iso 0 dist 8.4858 6.49376 8.52082 4.48323 9.35202 10.5255 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 6.59025 7.07409 6.32777 6.28125 9.88897 5.82396 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 5.9176 9.60512 5.97685 10.6474 8.12266 4.48306 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 5.9176 9.60512 5.97685 5.12833 9.43306 10.2172 numMergedOcc 0
46 mol 181 unq 3 iso 0 dist 5.9176 9.60512 5.97685 4.61184 8.59681 10.9122 numMergedOcc 0
47 mol 181 unq 4 iso 0 dist 5.9176 13.3389 8.9289 10.6474 8.12266 4.88823 numMergedOcc 0
48 mol 181 unq 5 iso 0 dist 5.9176 13.3389 8.9289 5.12833 9.43306 14.2334 numMergedOcc 0
49 mol 181 unq 6 iso 0 dist 5.9176 13.3389 8.9289 4.61184 8.59681 16.1796 numMergedOcc 0
50 mol 181 unq 7 iso 0 dist 5.94469 6.7991 7.05653 5.42158 8.06308 5.82984 numMergedOcc 0
51 mol 186 unq 0 iso 0 dist 7.76163 10.5203 9.84492 14.106 9.99396 6.00734 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 8.73217 11.7299 9.84492 10.8286 9.99396 6.00734 numMergedOcc 0
53 mol 194 unq 0 iso 0 dist 6.72379 5.38925 9.3402 4.66791 9.00322 6.72001 numMergedOcc 0
54 mol 227 unq 0 iso 0 dist 5.41321 6.43754 7.57454 5.0317 8.91971 4.09934 numMergedOcc 0
55 mol 232 unq 0 iso 0 dist 8.50102 8.78722 7.17337 9.74344 9.9183 14.5281 numMergedOcc 0
56 mol 232 unq 1 iso 0 dist 9.40808 13.5597 7.17337 5.10213 9.9183 14.5281 numMergedOcc 0
57 mol 234 unq 0 iso 0 dist 7.32499 5.9221 7.43663 13.1872 7.77911 11.8229 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 7.32499 13.2297 7.94068 13.1872 7.77911 6.45373 numMergedOcc 0
59 mol 273 unq 0 iso 0 dist 8.83865 4.89568 8.68913 4.24707 7.85836 8.0478 numMergedOcc 0
60 mol 273 unq 1 iso 0 dist 8.83865 4.89568 8.68913 8.56043 6.35532 10.9311 numMergedOcc 0
61 mol 273 unq 2 iso 0 dist 9.18157 5.14347 8.68913 6.65672 7.85836 8.0478 numMergedOcc 0
62 mol 273 unq 3 iso 0 dist 9.18157 5.14347 8.68913 8.81454 6.35532 10.9311 numMergedOcc 0
63 mol 279 unq 0 iso 0 dist 7.23721 5.34838 9.24367 10.7629 9.42255 10.5027 numMergedOcc 0
64 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 5.94 8.6233 6.87619 numMergedOcc 0
