0 mol 10 unq 0 iso 0 dist 9.06457 5.04413 7.14537 8.26327 12.669 6.02543 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03914 15.2015 8.34145 12.1913 4.69849 7.15901 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.04174 9.28401 8.34145 9.33162 4.69849 7.15901 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.23033 9.74667 8.34145 9.41473 4.55347 7.24352 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.71722 7.07978 5.42044 6.51666 5.14267 6.46343 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.58666 14.9788 6.96745 18.5124 10.4065 5.43933 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.98077 10.3696 7.5573 11.9913 6.76477 6.5739 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 5.44814 12.4579 9.29944 18.267 15.2605 8.68663 numMergedOcc 0
8 mol 170 unq 0 iso 0 dist 8.95292 13.0899 8.75024 16.5396 9.3696 9.00677 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.7734 5.21837 5.67168 11.1912 5.40422 7.04815 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 7.7734 7.51045 5.86483 11.1912 5.40422 6.07389 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.75756 9.26568 8.22795 15.4674 10.9712 6.34234 numMergedOcc 0
12 mol 207 unq 0 iso 0 dist 8.72885 5.08264 4.76113 10.2623 5.47626 8.78061 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 9.0735 7.30721 9.3502 11.6389 6.05548 7.8744 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 9.0735 10.0058 6.46405 14.8178 6.37008 8.69811 numMergedOcc 0
15 mol 225 unq 2 iso 0 dist 9.0735 10.0058 6.46405 11.6389 6.05548 4.98402 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 4.36956 5.39025 6.03081 12.8892 10.0222 9.11454 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 8.43799 5.39025 7.41433 12.8892 6.89973 9.11454 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.28643 12.4194 4.66186 12.8147 8.5378 6.53286 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 8.31704 8.83577 9.02537 7.87371 6.87067 5.4307 numMergedOcc 0
