0 mol 78 unq 0 iso 0 dist 9.00045 16.177 8.13368 10.6426 4.4651 8.40871 numMergedOcc 0
1 mol 133 unq 0 iso 0 dist 6.26722 9.59447 6.34149 16.0319 14.5572 9.45717 numMergedOcc 0
2 mol 133 unq 1 iso 0 dist 8.78 12.9102 6.34149 22.2417 14.5572 9.45717 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 8.49649 5.84146 8.22824 5.50687 5.73965 7.31419 numMergedOcc 0
4 mol 171 unq 0 iso 0 dist 9.53702 15.5015 8.30819 20.0619 10.5731 8.68992 numMergedOcc 0
5 mol 173 unq 0 iso 0 dist 6.46871 13.656 8.91036 17.2077 10.8336 9.72828 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 8.22331 7.6839 8.05227 6.18446 7.56497 7.18765 numMergedOcc 0
7 mol 197 unq 1 iso 0 dist 8.22331 7.6839 8.05227 9.96544 5.66137 7.41091 numMergedOcc 0
8 mol 229 unq 0 iso 0 dist 4.38586 11.2221 8.17234 12.3584 9.29848 9.48923 numMergedOcc 0
9 mol 229 unq 1 iso 0 dist 4.38586 11.2221 8.17234 9.97251 6.21233 9.67544 numMergedOcc 0
10 mol 229 unq 2 iso 0 dist 9.40399 7.36484 8.17234 15.5225 9.29848 9.48923 numMergedOcc 0
11 mol 229 unq 3 iso 0 dist 9.40399 7.36484 8.17234 14.2678 6.21233 9.67544 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 7.55878 15.4291 8.73545 13.2954 6.52848 4.94074 numMergedOcc 0
13 mol 233 unq 1 iso 0 dist 4.91191 5.36235 8.73545 6.48196 6.52848 4.94074 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 5.65943 6.00606 5.67249 13.8384 10.3064 8.58958 numMergedOcc 0
15 mol 234 unq 1 iso 0 dist 5.65943 6.00606 5.67249 11.234 6.50055 7.17987 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 6.79115 5.70162 5.40329 10.4879 4.32403 6.67907 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 6.79115 5.70162 5.40329 5.77925 4.38595 6.0087 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.58667 7.48053 5.83023 9.38793 4.84657 5.37894 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.99187 14.1982 6.84909 18.6434 9.83514 6.02089 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 8.99187 14.1982 6.84909 11.5946 8.04474 6.87804 numMergedOcc 0
21 mol 292 unq 2 iso 0 dist 6.76034 8.10426 6.38051 13.5278 9.00118 6.07571 numMergedOcc 0
