0 mol 0 unq 0 iso 0 dist 8.85565 7.79297 7.49611 11.7303 11.0244 7.65806 13.5785 12.1987 6.0225 9.72725 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.05483 6.49709 11.0953 5.51815 12.338 4.61088 5.59847 7.01011 4.10106 6.54358 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 5.5249 9.17086 8.80331 8.74209 4.9903 5.41726 6.6263 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.34858 8.06275 5.90113 10.4413 10.615 6.20293 8.74209 4.9903 5.41726 6.75943 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.82079 7.5055 7.33132 10.9541 9.79004 8.22656 10.7738 5.37122 4.88025 8.26547 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.82079 7.5055 7.33132 5.61003 8.43069 6.82262 10.7738 5.37122 4.88025 9.05342 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 9.16832 5.79157 6.34069 13.0109 13.2555 9.86662 8.8437 6.30946 4.00092 7.21868 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 9.16832 5.79157 6.34069 14.1608 14.0187 9.71307 14.4761 14.6917 10.2026 9.33924 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 9.16832 5.79157 6.34069 14.1608 14.0187 9.71307 8.8437 6.30946 4.00092 7.93372 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 14.4072 17.977 6.69288 10.9114 13.1611 6.42973 7.06025 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.8328 9.74465 5.32859 8.42326 11.0615 8.03334 11.0622 10.3533 6.50233 9.76212 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.23909 9.25882 9.15058 9.40714 13.3872 7.80463 6.32553 7.41929 3.56269 6.52816 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 9.20248 8.82778 4.77446 11.4665 6.83046 6.16342 11.7834 8.15025 10.6736 6.73665 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 7.36479 7.80612 7.95216 9.62983 12.7318 8.23192 12.6512 13.4828 5.71505 8.69318 numMergedOcc 0
