0 mol 133 unq 0 iso 0 dist 6.26722 8.58727 14.3686 9.59447 6.34149 15.9179 16.0319 14.5572 18.3205 9.45717 numMergedOcc 0
1 mol 133 unq 1 iso 0 dist 6.26722 8.61597 6.37933 9.59447 6.34149 12.6436 16.0319 14.5572 19.9179 9.45717 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 8.49649 8.11189 9.69206 5.84146 8.22824 7.0128 5.50687 5.73965 5.57177 7.31419 numMergedOcc 0
3 mol 171 unq 0 iso 0 dist 9.53702 8.31358 4.78402 15.5015 8.30819 13.0914 20.0619 10.5731 13.9157 8.68992 numMergedOcc 0
4 mol 173 unq 0 iso 0 dist 6.46871 7.76428 5.07225 13.656 8.91036 10.1001 17.2077 10.8336 11.5034 9.72828 numMergedOcc 0
5 mol 229 unq 0 iso 0 dist 4.38586 7.06416 3.99138 11.2221 8.17234 10.5789 12.3584 9.29848 10.7013 9.48923 numMergedOcc 0
6 mol 229 unq 1 iso 0 dist 4.38586 7.06416 3.99138 11.2221 8.17234 10.5789 9.97251 6.21233 5.78907 9.67544 numMergedOcc 0
7 mol 233 unq 0 iso 0 dist 7.55878 9.85333 11.8011 15.4291 8.73545 20.2671 13.2954 6.52848 16.9731 4.94074 numMergedOcc 0
8 mol 233 unq 1 iso 0 dist 4.91191 8.08374 5.89828 5.36235 8.73545 12.4549 6.48196 6.52848 11.2631 4.94074 numMergedOcc 0
9 mol 233 unq 2 iso 0 dist 4.91191 8.2689 8.98176 5.36235 8.73545 5.9677 6.48196 6.52848 4.80704 4.94074 numMergedOcc 0
10 mol 234 unq 0 iso 0 dist 5.65943 6.99317 4.99837 6.00606 5.67249 10.0758 13.8384 10.3064 15.1207 8.58958 numMergedOcc 0
11 mol 234 unq 1 iso 0 dist 5.65943 6.99317 4.99837 6.00606 5.67249 10.0758 11.234 6.50055 10.6113 7.17987 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 6.79115 8.74211 4.93347 5.70162 5.40329 9.68784 10.4879 4.32403 7.99081 6.67907 numMergedOcc 0
13 mol 236 unq 1 iso 0 dist 6.79115 8.74211 4.93347 5.70162 5.40329 9.68784 5.77925 4.38595 5.03564 6.0087 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 6.58667 4.66834 4.80425 7.48053 5.83023 5.37738 9.38793 4.84657 8.31543 5.37894 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 6.58667 8.90911 10.0416 7.48053 5.83023 12.8572 9.38793 4.84657 10.6013 5.37894 numMergedOcc 0
16 mol 292 unq 0 iso 0 dist 8.99187 9.89794 11.7378 14.1982 6.84909 18.3546 18.6434 9.83514 20.2235 6.02089 numMergedOcc 0
17 mol 292 unq 1 iso 0 dist 8.99187 9.89794 11.7378 14.1982 6.84909 18.3546 11.5946 8.04474 18.536 6.87804 numMergedOcc 0
18 mol 292 unq 2 iso 0 dist 6.76034 9.93846 5.48602 8.10426 6.38051 10.4053 13.5278 9.00118 12.229 6.07571 numMergedOcc 0
