0 mol 5 unq 0 iso 0 dist 9.58876 9.69354 4.55639 9.05086 8.68577 5.8674 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.58876 9.69354 4.55639 4.32004 8.13672 6.88126 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 5.42968 5.09348 7.18124 4.30555 8.25818 7.19357 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 5.42968 12.7612 8.10168 4.30555 8.25818 13.7061 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.51631 3.89292 8.32093 8.24064 7.7485 5.29172 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.85325 6.34787 6.48394 10.2533 6.79423 3.93249 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 9.83758 13.2471 6.34004 11.2375 4.91212 5.39108 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 9.83758 13.2471 6.34004 6.87591 9.34782 13.201 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 6.61697 9.94078 8.46167 5.70681 5.31126 4.62493 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 6.61697 9.94078 8.46167 5.08157 7.16619 6.47997 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.83566 11.0898 7.39112 6.28158 6.55227 4.89202 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.0889 14.6635 9.8098 8.14689 7.84207 11.5289 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 8.0889 14.6635 9.8098 5.74365 8.56947 10.6796 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 6.85177 5.00783 9.39809 5.73931 5.10589 6.05322 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 8.88729 5.00783 8.38775 5.73931 4.63336 6.05322 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 6.83662 6.37166 8.50251 12.1616 9.81716 8.03648 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 8.26189 8.25455 5.44351 12.399 7.85841 5.14008 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 7.57834 10.4418 6.34051 12.6878 9.20109 5.14008 numMergedOcc 0
18 mol 254 unq 2 iso 0 dist 5.75348 8.25455 6.34051 12.399 9.20109 5.14008 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.54064 7.54263 9.68243 8.11438 7.04263 7.79959 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 4.54064 7.54263 9.68243 3.43932 6.48099 9.44591 numMergedOcc 0
