0 mol 18 unq 0 iso 0 dist 6.91413 3.65324 5.94965 4.86477 9.30649 6.05493 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.72742 16.7392 8.64844 16.7414 9.31883 10.7132 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.72742 16.7392 8.64844 15.4411 9.475 12.8676 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 8.72742 16.7392 8.64844 15.4933 8.34011 8.77785 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 8.72742 16.7392 8.64844 9.39237 6.29842 9.16728 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.22124 10.45 8.30888 5.15508 5.85153 6.10172 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 5.50438 7.50546 8.46846 4.49883 8.42173 11.8009 numMergedOcc 0
7 mol 74 unq 1 iso 0 dist 5.50438 5.35086 7.37827 4.49883 8.42173 3.80878 numMergedOcc 0
8 mol 74 unq 2 iso 0 dist 8.97568 10.8695 8.46846 6.34189 8.42173 11.8009 numMergedOcc 0
9 mol 74 unq 3 iso 0 dist 8.97568 9.38181 7.37827 6.34189 8.42173 3.80878 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.90574 10.2417 8.52122 11.2375 4.72339 9.37497 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 6.90574 10.2417 8.52122 10.673 6.48902 4.38642 numMergedOcc 0
12 mol 111 unq 2 iso 0 dist 6.90574 10.2417 8.52122 6.87591 7.21505 9.20246 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 8.74174 12.9432 7.64106 10.1781 7.69757 3.76674 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 6.76066 6.54583 8.76723 10.2485 7.61231 8.08252 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 7.87322 13.3382 7.55147 5.50118 9.02222 13.7538 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 9.94949 4.44909 7.60057 7.33017 9.19506 9.03379 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 9.94949 4.44909 7.60057 11.9628 9.94904 10.1184 numMergedOcc 0
18 mol 182 unq 2 iso 0 dist 9.94949 4.44909 7.60057 13.6283 9.30893 9.8017 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 9.88251 10.3459 8.01082 11.0081 5.19567 9.97098 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 6.47064 14.558 9.03723 7.72583 7.83105 10.7675 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 6.47064 14.558 9.03723 11.7343 5.63025 5.25305 numMergedOcc 0
