0 mol 34 unq 0 iso 0 dist 7.87317 6.35997 7.58092 6.66835 11.2523 4.75881 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 7.77714 6.77802 6.38985 3.42062 9.77004 9.05737 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.46118 9.48328 9.12054 8.11968 10.7828 8.65524 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.46118 9.48328 9.12054 12.3188 15.5159 8.96151 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.46118 9.48328 9.12054 9.72788 13.6904 9.02535 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.22956 8.39335 10.0772 11.779 16.2471 9.07629 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.22956 8.39335 10.0772 13.0405 14.3816 8.61143 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 9.51587 8.39335 8.43579 11.779 16.0184 9.07629 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 9.51587 8.39335 8.43579 13.0405 12.1585 8.61143 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.21723 6.29267 8.33013 6.02092 10.738 4.15789 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 7.95205 6.33923 4.58626 3.83194 8.48433 4.91212 numMergedOcc 0
11 mol 111 unq 1 iso 0 dist 7.95205 6.33923 4.58626 5.56913 9.30841 9.34782 numMergedOcc 0
12 mol 111 unq 2 iso 0 dist 7.95205 9.9801 3.78254 3.83194 8.48433 9.74162 numMergedOcc 0
13 mol 111 unq 3 iso 0 dist 8.38367 8.51084 4.21801 7.42165 7.36025 4.91212 numMergedOcc 0
14 mol 111 unq 4 iso 0 dist 8.38367 8.51084 4.21801 7.93667 9.60251 9.74162 numMergedOcc 0
15 mol 111 unq 5 iso 0 dist 8.38367 5.53271 10.0002 7.42165 7.36025 9.34782 numMergedOcc 0
16 mol 111 unq 6 iso 0 dist 5.05141 8.51084 10.3018 7.42165 11.3324 4.91212 numMergedOcc 0
17 mol 111 unq 7 iso 0 dist 5.05141 8.51084 10.3018 7.93667 12.6356 9.74162 numMergedOcc 0
18 mol 111 unq 8 iso 0 dist 5.05141 5.53271 4.88926 7.42165 11.3324 9.34782 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.22039 7.53591 4.45608 4.40012 7.43587 5.60448 numMergedOcc 0
20 mol 151 unq 0 iso 0 dist 8.96469 5.91643 4.17025 6.07474 12.2374 9.37533 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 9.99681 6.45095 12.9722 6.41178 12.233 7.83831 numMergedOcc 0
22 mol 233 unq 1 iso 0 dist 8.31695 8.7499 7.07475 5.97893 12.7737 9.80479 numMergedOcc 0
23 mol 284 unq 0 iso 0 dist 8.45487 5.2862 4.93279 5.88619 10.5318 5.6964 numMergedOcc 0
24 mol 284 unq 1 iso 0 dist 8.72299 5.31097 4.93279 4.57529 10.5318 5.6964 numMergedOcc 0
25 mol 287 unq 0 iso 0 dist 4.28058 8.4625 7.24849 11.4589 11.2301 4.68668 numMergedOcc 0
26 mol 288 unq 0 iso 0 dist 4.28058 8.4625 7.24849 11.4589 11.2301 4.68668 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 4.28058 8.4625 7.24849 11.4589 11.2301 4.68668 numMergedOcc 0
