0 mol 20 unq 0 iso 0 dist 5.06274 6.85224 4.6621 4.53009 6.29711 4.74809 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.06274 6.85224 4.6621 5.095 6.19906 5.86181 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 5.06274 8.04657 11.5288 4.53009 6.29711 7.43882 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 5.06274 8.04657 11.5288 5.095 6.19906 6.3253 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 5.88119 6.70097 3.61632 10.3521 9.39331 5.86181 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 5.88119 6.70097 3.61632 8.19819 6.86736 6.3253 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 5.88119 6.70097 3.61632 6.11738 8.17383 5.80568 numMergedOcc 0
7 mol 21 unq 0 iso 0 dist 8.82563 6.61889 9.81757 5.1525 12.4296 8.60289 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 7.93966 6.23824 3.4435 6.39466 10.0903 6.72323 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.63893 9.35279 6.64001 18.1901 14.6126 9.66222 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 8.82789 7.03303 9.23265 7.23254 6.73995 5.25109 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 8.82789 7.03303 9.23265 8.97143 9.84348 8.21618 numMergedOcc 0
12 mol 171 unq 2 iso 0 dist 5.09456 7.03303 7.86006 7.23254 8.619 5.25109 numMergedOcc 0
13 mol 171 unq 3 iso 0 dist 5.09456 7.03303 7.86006 8.97143 11.7943 8.21618 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 8.67824 9.02735 3.72014 9.68794 5.47004 8.26288 numMergedOcc 0
15 mol 244 unq 0 iso 0 dist 8.9427 6.61951 12.139 5.01275 13.6824 6.22122 numMergedOcc 0
16 mol 280 unq 0 iso 0 dist 8.67308 8.64557 3.84243 7.52635 5.85236 6.73712 numMergedOcc 0
17 mol 280 unq 1 iso 0 dist 8.67308 8.64557 3.84243 4.71359 11.118 9.35704 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 4.5423 5.38333 5.41757 4.84387 8.88015 6.95912 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 4.5423 5.38333 5.41757 4.84387 8.88015 6.95912 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 4.5423 5.38333 5.41757 4.84387 8.88015 6.95912 numMergedOcc 0
