0 mol 19 unq 0 iso 0 dist 8.96529 8.53244 6.1852 6.1932 5.36258 9.04865 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.68303 8.56621 9.86454 4.55484 8.18002 10.008 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 5.68303 8.56621 9.86454 6.74966 7.07032 14.9178 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 6.76977 6.63403 4.391 8.67697 7.14313 10.0596 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 7.88328 6.00571 11.1968 4.95538 5.45159 8.03243 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 5.33851 6.00571 6.02157 4.95538 4.9835 8.03243 numMergedOcc 0
6 mol 168 unq 0 iso 0 dist 8.66519 6.8754 11.0283 13.7809 9.16691 18.6072 numMergedOcc 0
7 mol 168 unq 1 iso 0 dist 8.35731 9.08545 11.0283 13.8199 9.16691 18.6072 numMergedOcc 0
8 mol 211 unq 0 iso 0 dist 7.49132 7.03051 6.09386 5.21043 9.14958 9.21889 numMergedOcc 0
9 mol 227 unq 0 iso 0 dist 6.86845 9.94444 5.64894 5.38513 6.37369 10.4091 numMergedOcc 0
10 mol 227 unq 1 iso 0 dist 8.97396 9.89515 9.25003 4.78441 6.37369 8.11377 numMergedOcc 0
11 mol 228 unq 0 iso 0 dist 7.24491 9.51962 10.2046 6.67895 9.84486 15.9653 numMergedOcc 0
12 mol 228 unq 1 iso 0 dist 7.24491 9.51962 10.2046 8.00573 7.81837 10.4324 numMergedOcc 0
13 mol 228 unq 2 iso 0 dist 9.21065 9.89425 10.3882 12.8284 7.97746 10.5347 numMergedOcc 0
14 mol 228 unq 3 iso 0 dist 7.65917 9.70807 10.3882 7.6598 7.97746 10.5347 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.73969 5.50501 10.1358 9.3775 5.77356 13.6012 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 7.73969 5.50501 10.1358 4.59056 9.24309 9.96007 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.04478 9.28634 6.54029 7.32002 4.57548 5.73804 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 8.21137 8.36198 9.98606 5.8923 9.02486 12.1951 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 8.22257 6.45323 12.4851 11.1006 8.5372 17.3374 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.27225 9.41308 7.74421 4.7348 6.73928 10.1492 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 5.53313 9.29634 6.32828 4.55784 7.82968 12.9507 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 6.28768 8.7902 8.71302 4.50624 9.54992 11.7317 numMergedOcc 0
23 mol 283 unq 1 iso 0 dist 6.28768 7.61141 5.06928 4.50624 9.54992 8.30268 numMergedOcc 0
