0 mol 27 unq 0 iso 0 dist 9.19658 8.05284 8.11206 7.96851 9.58751 14.0224 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 6.97879 4.67673 8.88479 9.72356 8.52805 9.39437 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 8.56202 5.26288 8.88479 13.0357 8.52805 9.39437 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.39101 5.72925 9.46312 7.43211 6.92381 3.83015 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.57826 6.47992 9.46312 4.81015 6.92381 3.83015 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 6.98838 7.10144 7.71582 3.48087 6.1847 3.99025 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 6.98838 7.10144 7.71582 10.0091 4.70557 6.69123 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 6.98838 9.32959 6.65776 3.48087 6.1847 6.08504 numMergedOcc 0
8 mol 88 unq 3 iso 0 dist 6.98838 9.32959 6.65776 10.0091 4.70557 3.77436 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.78437 12.1715 8.87941 5.40104 5.96977 7.85173 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.00025 6.33235 6.74517 3.47137 7.6077 6.54263 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.41368 7.58472 9.40622 3.55808 7.61421 10.4087 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 7.96182 4.24915 9.40622 6.33098 7.61421 10.4087 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 7.90237 5.70246 9.40622 8.9845 7.61421 10.4087 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 8.26654 5.94354 7.01496 3.86201 9.87719 4.87462 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.86352 8.39208 5.89018 5.97362 7.76863 6.68247 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.42374 5.43506 5.89018 5.8523 4.51124 3.99343 numMergedOcc 0
17 mol 204 unq 2 iso 0 dist 9.42374 5.43506 5.89018 10.6525 8.41517 11.4601 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 7.90156 10.6875 8.57853 9.16208 8.5244 13.6229 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 7.90156 5.85592 6.75035 9.16208 8.5244 6.19774 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.79085 12.48 9.86861 13.7353 8.49913 4.31097 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 6.48753 8.59775 9.86861 10.1969 8.49913 4.31097 numMergedOcc 0
22 mol 232 unq 2 iso 0 dist 7.83802 4.33622 9.86861 6.46773 8.49913 4.31097 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 8.19915 5.85485 7.27958 3.76405 9.11149 9.32678 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 5.648 6.21932 8.53287 9.98527 9.99181 14.8407 numMergedOcc 0
