0 mol 25 unq 0 iso 0 dist 7.0928 6.32132 5.04899 6.98291 9.20601 6.6492 8.01293 9.43699 4.70708 8.5404 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 16.1511 10.6756 5.69955 23.5525 17.2621 9.87119 7.61055 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 18.7941 10.6756 5.69955 24.1909 17.2621 9.87119 7.61055 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.65229 5.43987 9.60462 12.1921 17.3924 9.92283 13.4138 17.7547 8.57646 7.82011 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.32004 6.92096 9.87172 11.0439 7.61939 7.99857 4.91188 6.19042 6.35763 9.87025 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 8.32004 6.92096 9.87172 11.0439 7.61939 7.99857 7.01214 7.44174 7.36192 5.85818 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 11.6102 10.1489 4.92088 10.9826 10.5498 5.25267 5.98771 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 7.36642 4.87114 6.03031 8.01082 5.28092 8.44861 7.13867 9.19704 8.66809 5.42696 numMergedOcc 0
8 mol 205 unq 1 iso 0 dist 7.36642 9.43922 7.26832 8.01082 5.28092 5.60393 7.13867 9.19704 6.23291 5.42696 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 8.3035 6.23589 8.82096 13.0019 10.2399 8.46327 12.6724 12.3623 10.7373 7.2498 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 9.01896 7.3913 8.82096 8.45863 10.2399 8.46327 5.23668 12.3623 10.7373 7.2498 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 13.1731 10.2525 8.03442 13.1968 12.4085 6.43754 7.1372 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 9.18218 6.78651 7.56888 13.1731 6.10296 8.03442 13.1968 11.004 6.43754 7.1372 numMergedOcc 0
13 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 13.1731 9.69537 8.03442 13.1968 12.8864 6.43754 7.1372 numMergedOcc 0
14 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 12.1047 8.7909 8.46061 8.13036 10.1966 8.52877 7.55161 numMergedOcc 0
15 mol 272 unq 1 iso 0 dist 7.66615 11.4664 9.97651 12.1047 4.86504 9.64269 8.13036 6.16449 4.72202 7.55161 numMergedOcc 0
16 mol 272 unq 2 iso 0 dist 7.66615 10.3544 8.46116 12.1047 4.86504 8.46061 8.13036 6.16449 8.52877 7.55161 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 7.1984 6.23921 8.15665 10.1937 5.25615 9.13907 6.28374 9.03492 6.17102 8.32473 numMergedOcc 0
