0 mol 2 unq 0 iso 0 dist 9.74371 13.588 7.68766 9.97525 6.35342 4.67907 5.30739 9.57674 14.8204 12.4493 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.67498 6.89544 7.22054 15.0231 9.85726 14.9736 8.88491 8.94586 10.6642 16.4469 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.32945 13.2452 7.22054 17.302 9.85726 14.9736 11.8191 8.94586 10.6642 16.4469 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.35633 17.3887 9.80586 16.255 9.59261 4.04716 5.62004 4.96613 12.9271 11.3905 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 9.35633 17.3887 9.80586 9.75148 6.67936 13.0429 5.62004 4.96613 12.9271 4.67519 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 9.35633 17.3887 9.80586 15.2099 8.25817 13.699 5.62004 4.96613 12.9271 10.4027 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 6.4737 10.8322 6.21275 7.20811 9.74498 12.692 11.2656 9.06844 5.04815 14.4624 numMergedOcc 0
7 mol 182 unq 0 iso 0 dist 8.94671 9.4786 8.63031 4.85077 7.86625 8.27268 12.3479 9.68323 9.60932 7.68794 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 8.63033 10.2573 9.24348 12.1408 9.72979 11.9391 4.77368 6.69623 12.6003 11.7977 numMergedOcc 0
9 mol 206 unq 1 iso 0 dist 8.63033 10.2573 9.24348 9.19627 6.97859 4.88904 4.77368 6.69623 12.6003 10.4747 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 6.24111 12.1185 8.14122 13.3929 9.67457 9.53948 6.15611 8.87054 14.064 18.0887 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 9.00343 13.3105 8.14122 12.3088 9.67457 9.53948 10.7435 8.87054 14.064 18.0887 numMergedOcc 0
12 mol 210 unq 2 iso 0 dist 6.41444 7.35484 8.14122 13.3774 9.67457 9.53948 7.26107 8.87054 14.064 18.0887 numMergedOcc 0
13 mol 224 unq 0 iso 0 dist 7.47122 12.0975 8.65729 15.4433 9.75313 6.57808 5.93235 6.48885 8.65179 10.7174 numMergedOcc 0
14 mol 224 unq 1 iso 0 dist 6.6537 3.74681 8.65729 4.55824 9.75313 6.57808 6.66792 6.48885 8.65179 10.7174 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 6.23346 5.70986 8.59955 9.6645 9.54235 13.5892 7.30348 7.48445 6.33966 9.42172 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.07452 9.62798 7.32898 6.11218 7.80446 4.54436 16.1753 8.30714 11.7852 13.0115 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.07452 9.62798 7.32898 11.3921 9.86142 4.84546 16.1753 8.30714 11.7852 11.5044 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 6.44266 8.2168 7.32898 6.98398 7.80446 4.54436 7.28382 8.30714 11.7852 13.0115 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 6.44266 8.2168 7.32898 6.99898 9.86142 4.84546 7.28382 8.30714 11.7852 11.5044 numMergedOcc 0
