0 mol 10 unq 0 iso 0 dist 8.99402 8.16906 5.05883 4.22006 9.75001 10.9096 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.99402 8.16906 5.05883 4.87654 9.06457 9.89713 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 7.49794 13.0811 13.0891 9.07969 20.3939 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.04551 7.49794 13.0811 14.1866 9.61448 21.6787 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.01454 5.43913 9.12054 12.665 8.94842 17.3341 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.01454 5.43913 9.12054 14.1985 9.9555 18.737 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.01454 8.26877 13.688 12.665 8.94842 20.6489 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.01454 8.26877 13.688 14.1985 9.9555 22.4406 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.79881 7.21223 7.71448 5.29182 8.80745 10.836 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.41952 6.65972 8.14479 8.12985 8.0318 9.18411 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.41952 4.2253 9.07516 8.12985 8.0318 11.446 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 6.6146 8.63446 3.78122 6.55381 8.48639 7.62463 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 5.78962 8.91998 5.4863 5.09341 7.77953 7.71625 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 8.67865 6.61645 12.6253 5.99325 8.67475 11.5595 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 6.68364 8.10681 9.19685 5.88056 5.44814 11.8292 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 9.668 8.36016 7.72329 5.332 9.35772 7.91458 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 9.45847 8.5544 15.8504 16.6018 9.16535 24.082 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 4.58291 7.94413 6.52619 6.35535 9.12973 13.9691 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 4.51269 5.73198 4.22218 9.15206 9.6093 12.6774 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 6.41444 7.95917 5.30972 4.78349 9.11574 11.7634 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.25293 9.59498 4.99827 4.47554 5.79617 10.1289 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 4.67452 8.58891 5.15128 4.74338 8.38773 10.4363 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 6.51428 9.3491 12.2668 11.8733 8.42464 19.2005 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 7.58833 6.62413 7.19269 6.46469 9.1515 11.0585 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.78017 9.98182 6.3791 4.91802 8.9352 11.6824 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.78203 9.98182 9.86569 4.91802 5.8845 11.6824 numMergedOcc 0
