0 mol 26 unq 0 iso 0 dist 9.43688 7.34549 6.4487 4.76147 7.51406 8.34347 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.97337 8.09068 6.4487 6.30129 7.51406 8.34347 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 7.04006 9.72289 6.4487 5.93227 7.51406 8.34347 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 4.22514 6.13476 5.65405 5.77448 6.54183 8.10861 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 4.69247 7.59073 5.29763 4.53858 6.56728 5.73196 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.04064 9.89618 16.1433 14.0721 8.44515 23.5989 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 7.52211 9.23551 13.5764 6.97147 6.87299 14.5625 numMergedOcc 0
7 mol 217 unq 0 iso 0 dist 6.60582 7.52229 4.92005 7.93016 6.74267 11.1669 numMergedOcc 0
8 mol 238 unq 0 iso 0 dist 9.42047 8.39522 17.8038 5.74685 6.54455 13.1053 numMergedOcc 0
9 mol 238 unq 1 iso 0 dist 9.42047 5.99187 5.17954 5.74685 6.54455 6.22714 numMergedOcc 0
10 mol 238 unq 2 iso 0 dist 9.42047 9.93378 10.061 5.74685 6.54455 12.6642 numMergedOcc 0
11 mol 241 unq 0 iso 0 dist 4.66398 8.18588 9.64766 7.9304 8.98668 15.9786 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 5.80603 5.29682 5.20592 5.48552 5.75874 8.53687 numMergedOcc 0
13 mol 259 unq 1 iso 0 dist 5.80603 6.20344 6.80302 5.48552 5.75874 10.5767 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 8.9413 6.78702 11.4819 4.75685 5.3051 8.4218 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 7.11605 7.1704 10.9032 14.3313 8.80588 19.6048 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 7.11605 9.63837 12.5962 14.3313 8.80588 19.2466 numMergedOcc 0
