0 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 10.1933 9.16962 5.69955 12.8678 11.887 10.6756 8.34347 numMergedOcc 0
1 mol 70 unq 0 iso 0 dist 8.06918 4.67358 11.6542 5.33532 7.92394 6.54023 6.77833 6.65811 9.03317 9.65964 numMergedOcc 0
2 mol 70 unq 1 iso 0 dist 7.52623 4.67358 11.7156 5.33532 9.93423 6.54023 6.77833 5.47516 9.03317 9.65964 numMergedOcc 0
3 mol 70 unq 2 iso 0 dist 5.62294 4.67358 4.95817 5.33532 9.34122 6.54023 6.77833 11.0952 9.03317 9.65964 numMergedOcc 0
4 mol 94 unq 0 iso 0 dist 6.64613 7.63006 5.64735 6.26149 12.0145 9.97569 6.31237 7.39788 5.60279 7.89459 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.85365 5.9819 9.06991 4.9102 11.6045 6.43433 8.86938 12.8768 8.56707 7.71338 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 6.85365 5.9819 9.06991 6.84034 13.0457 9.92283 12.6327 15.4658 17.3924 9.60462 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 4.95674 8.37793 7.68389 13.2145 11.3058 6.76699 9.00172 9.53782 5.74088 6.29155 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.98435 5.8367 8.05714 13.0109 11.2292 8.20836 9.87619 5.3585 9.4027 8.94367 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 5.98435 5.8367 8.05714 13.0109 11.2292 8.20836 5.79157 6.74887 5.12325 9.86662 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 8.80672 5.8367 13.6926 13.0109 21.5049 8.20836 9.87619 17.5151 9.4027 8.94367 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 8.80672 5.8367 13.6926 13.0109 21.5049 8.20836 5.79157 12.6989 5.12325 9.86662 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 5.20111 6.43914 9.02883 5.35615 9.52027 8.41195 5.92907 6.43758 4.90038 7.56373 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 9.81585 7.09453 13.48 9.84917 17.6932 8.92743 15.4353 20.212 11.6847 8.22528 numMergedOcc 0
14 mol 229 unq 1 iso 0 dist 9.81585 7.09453 13.48 9.84917 17.6932 8.92743 11.2852 15.0535 9.62106 7.03423 numMergedOcc 0
15 mol 229 unq 2 iso 0 dist 9.81585 7.09453 13.48 9.68525 18.3525 5.77318 14.261 18.3235 7.7339 9.87838 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 6.50118 5.5826 6.48619 5.18833 9.29858 7.32982 10.5161 13.069 12.3808 5.72887 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 9.3099 5.5826 5.8333 5.18833 10.7386 7.32982 10.5161 14.2103 12.3808 5.72887 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 8.39127 9.97871 6.53154 5.8982 8.50864 6.17052 10.1466 10.1857 5.99459 7.69895 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 8.39127 9.97871 6.53154 6.17735 11.9152 9.77666 10.1466 10.1857 5.99459 7.21521 numMergedOcc 0
20 mol 248 unq 2 iso 0 dist 7.96942 9.08064 6.53154 7.63032 8.50864 6.17052 7.40475 10.1857 5.99459 7.69895 numMergedOcc 0
21 mol 248 unq 3 iso 0 dist 7.96942 9.08064 6.53154 6.42334 11.9152 9.77666 7.40475 10.1857 5.99459 7.21521 numMergedOcc 0
22 mol 272 unq 0 iso 0 dist 6.27189 9.00781 6.3139 9.92738 7.67853 9.05222 12.454 6.64985 6.59863 8.48753 numMergedOcc 0
