0 mol 52 unq 0 iso 0 dist 7.68916 13.3091 7.34143 11.9986 9.80098 9.162 20.1728 13.9113 7.70026 16.3413 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 7.47417 13.0115 7.34143 8.90624 9.80098 9.162 20.5151 13.9113 7.70026 16.3413 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.51978 11.7347 8.10861 10.6355 9.5589 16.3192 7.34695 5.65405 6.54183 14.4402 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 7.51978 11.7347 8.10861 6.43082 6.83299 14.2075 7.34695 5.65405 6.54183 10.5929 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 12.2879 7.47343 5.33144 10.6298 5.92158 8.96916 5.70279 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 10.2364 8.86688 9.71151 10.6298 5.92158 8.96916 9.71692 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 10.6298 5.92158 5.70279 8.96916 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 10.6298 5.92158 5.70279 9.71692 numMergedOcc 0
8 mol 100 unq 4 iso 0 dist 9.26343 13.666 6.45675 16.4386 7.47343 5.33144 14.516 5.92158 8.96916 5.70279 numMergedOcc 0
9 mol 100 unq 5 iso 0 dist 9.26343 13.666 6.45675 15.5646 8.86688 9.71151 14.516 5.92158 8.96916 9.71692 numMergedOcc 0
10 mol 100 unq 6 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 14.516 5.92158 5.70279 8.96916 numMergedOcc 0
11 mol 100 unq 7 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 14.516 5.92158 5.70279 9.71692 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 9.41387 6.54872 9.84395 9.3855 7.90328 13.1058 11.6976 5.34484 8.81172 11.6152 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 11.4901 5.98885 8.88798 12.9113 5.114 8.90247 10.3907 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.25528 18.2027 9.1374 11.9545 9.15386 12.1628 12.9113 5.114 8.90247 13.7299 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.36642 9.43922 7.26832 4.87114 6.03031 7.38516 13.4086 10.6362 6.15806 12.9169 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 6.98312 7.80463 13.8543 13.4086 10.6362 6.15806 17.5925 numMergedOcc 0
17 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 12.5238 8.40182 4.06055 16.1172 10.613 8.91036 12.2364 numMergedOcc 0
18 mol 231 unq 1 iso 0 dist 9.84965 14.0116 7.37839 16.7305 8.40182 4.06055 13.6002 10.613 8.91036 12.2364 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.2521 12.8083 6.22714 10.1821 7.31233 5.34096 15.5462 7.45873 4.87108 7.64276 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 9.2521 12.8083 6.22714 10.1821 7.31233 5.34096 14.3634 5.17954 6.54455 10.2875 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 15.5462 7.45873 7.64276 4.87108 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 16.8096 9.2288 8.41807 18.515 9.76823 7.93609 13.7964 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 6.79692 7.19638 14.9102 18.515 9.76823 7.93609 16.2688 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 4.95196 7.73141 10.1239 14.7497 9.27298 8.17205 15.127 numMergedOcc 0
