0 mol 39 unq 0 iso 0 dist 8.86053 7.54441 4.40395 9.70029 14.0851 10.3659 numMergedOcc 0
1 mol 39 unq 1 iso 0 dist 8.86053 9.84326 10.026 9.70029 14.0851 5.7332 numMergedOcc 0
2 mol 39 unq 2 iso 0 dist 8.76925 7.54441 5.93243 9.70029 6.8989 10.3659 numMergedOcc 0
3 mol 39 unq 3 iso 0 dist 8.76925 9.84326 5.03446 9.70029 6.8989 5.7332 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.29755 8.41365 10.1493 9.57335 9.58891 13.0229 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.29755 8.41365 10.1493 8.60653 11.1253 11.0681 numMergedOcc 0
6 mol 54 unq 2 iso 0 dist 7.4038 8.41365 14.043 9.57335 7.573 13.0229 numMergedOcc 0
7 mol 54 unq 3 iso 0 dist 7.4038 8.41365 14.043 8.60653 10.063 11.0681 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 7.77128 8.68888 4.51374 5.67362 5.04866 5.11693 numMergedOcc 0
9 mol 71 unq 0 iso 0 dist 7.12853 8.05492 5.30462 8.72533 6.64442 4.27303 numMergedOcc 0
10 mol 71 unq 1 iso 0 dist 6.14513 9.27619 5.30462 9.14345 6.64442 4.27303 numMergedOcc 0
11 mol 71 unq 2 iso 0 dist 7.4392 9.27619 9.59397 9.14345 11.496 4.27303 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.26536 9.56188 4.82789 8.31266 5.36591 4.61633 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 5.26536 9.56188 4.82789 8.51459 7.7159 7.56871 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.49577 7.95111 5.81835 6.65725 8.87236 7.4793 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 8.71993 8.52642 13.241 6.28889 9.08423 4.17434 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 8.94889 5.57537 6.06056 8.78652 4.36112 5.96222 numMergedOcc 0
17 mol 210 unq 1 iso 0 dist 8.94889 5.57537 6.06056 9.01437 10.7545 10.1011 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.89587 8.57161 9.44963 9.75868 9.58883 7.24924 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 6.72105 6.37335 4.5928 6.71099 5.0625 5.12599 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 7.96569 6.37335 8.16146 6.71099 4.86592 5.12599 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 5.77828 7.90344 5.05275 8.52162 4.04422 4.38002 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.40125 8.62043 12.0817 7.88238 11.8 5.7252 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 8.51994 8.46687 9.01973 7.10052 8.632 6.06723 numMergedOcc 0
