0 mol 42 unq 0 iso 0 dist 9.0802 9.50049 9.38166 8.14608 11.4805 5.52834 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.06519 7.99735 13.3375 13.11 20.0011 9.53081 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 7.54027 7.99735 8.95658 13.11 16.6074 9.53081 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 8.80303 6.25196 10.4607 6.39129 13.1989 8.16246 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 8.80303 8.88159 15.5121 6.39129 13.1989 9.48823 numMergedOcc 0
5 mol 54 unq 2 iso 0 dist 5.59179 6.25196 6.36332 6.39129 7.98493 8.16246 numMergedOcc 0
6 mol 54 unq 3 iso 0 dist 5.59179 8.88159 4.66088 6.39129 7.98493 9.48823 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.99922 7.85826 10.7752 7.26196 10.5168 5.66803 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 9.99922 7.85826 10.7752 7.27834 14.0922 8.85416 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 8.58798 7.16147 7.24861 4.35884 6.50264 8.68658 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.06502 6.09318 5.42987 7.90823 8.08277 9.86325 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 8.76115 6.09318 4.37747 7.90823 14.0161 9.86325 numMergedOcc 0
12 mol 103 unq 0 iso 0 dist 5.37345 8.88177 10.1932 6.01015 10.7523 7.66418 numMergedOcc 0
13 mol 103 unq 1 iso 0 dist 5.37345 8.88177 10.1932 5.87263 7.2533 8.078 numMergedOcc 0
14 mol 132 unq 0 iso 0 dist 9.57415 9.20977 4.88005 6.84485 9.46097 9.39389 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 7.52211 9.89646 13.3408 12.352 17.267 5.32865 numMergedOcc 0
16 mol 209 unq 0 iso 0 dist 9.23866 8.76212 11.2448 4.91835 14.0286 9.79293 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 4.66398 5.42605 8.82095 6.5604 10.2184 7.26758 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 8.17286 5.53395 12.0211 5.96376 11.8275 9.40767 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.96325 6.77021 8.11944 9.76099 11.1686 7.53199 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 7.96325 6.77021 8.11944 5.83092 5.04068 8.58092 numMergedOcc 0
21 mol 258 unq 2 iso 0 dist 7.96325 6.77021 8.11944 5.09024 9.52075 7.40014 numMergedOcc 0
22 mol 258 unq 3 iso 0 dist 6.81635 6.77021 7.85663 9.76099 14.4389 7.53199 numMergedOcc 0
23 mol 258 unq 4 iso 0 dist 6.81635 6.77021 7.85663 5.83092 11.3862 8.58092 numMergedOcc 0
24 mol 258 unq 5 iso 0 dist 6.81635 6.77021 7.85663 5.09024 11.3101 7.40014 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 8.54733 6.64109 5.34511 10.9011 9.35563 7.52632 numMergedOcc 0
26 mol 280 unq 0 iso 0 dist 7.11605 8.71581 15.4342 9.78493 15.6317 8.83076 numMergedOcc 0
27 mol 280 unq 1 iso 0 dist 7.11605 8.71581 15.4342 7.74111 10.04 9.76967 numMergedOcc 0
