0 mol 48 unq 0 iso 0 dist 5.36645 5.43913 3.63758 5.39197 7.15542 8.65524 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.36645 5.43913 3.63758 9.53255 8.89047 8.96151 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 5.36645 5.43913 3.63758 7.75132 8.89003 9.02535 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 5.36645 8.26877 6.88863 5.39197 7.15542 8.22812 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 5.36645 8.26877 6.88863 9.53255 8.89047 4.22002 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 5.36645 8.26877 6.88863 7.75132 8.89003 5.77855 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.49623 7.75543 3.83059 6.51961 5.25027 4.15789 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 5.49623 7.75543 3.83059 4.08459 4.37025 4.808 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 5.30872 8.10681 7.20921 7.33175 8.64905 10.8164 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 7.5984 5.33772 6.75249 5.08025 8.99891 4.3855 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 9.89142 9.88912 4.51281 7.86779 7.93088 10.7246 numMergedOcc 0
11 mol 162 unq 1 iso 0 dist 9.89142 9.46218 15.4787 7.86779 7.93088 16.8281 numMergedOcc 0
12 mol 162 unq 2 iso 0 dist 8.06091 9.88912 9.2459 10.5848 8.94224 15.9243 numMergedOcc 0
13 mol 162 unq 3 iso 0 dist 8.06091 9.46218 8.29751 10.5848 8.94224 14.8826 numMergedOcc 0
14 mol 163 unq 0 iso 0 dist 6.56115 9.69093 4.2768 6.99664 9.90947 13.9273 numMergedOcc 0
15 mol 163 unq 1 iso 0 dist 6.56115 9.69093 4.2768 4.09125 8.16252 12.1476 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 8.58946 8.43955 6.13061 11.6251 9.86868 11.9339 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 8.58946 8.43955 6.13061 6.39898 6.83528 10.9057 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 6.27396 6.46946 8.62057 7.73767 7.16758 12.8048 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.10166 9.58346 3.56132 8.44261 6.23183 6.80296 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 9.66896 9.60549 3.56132 13.8891 6.23183 6.80296 numMergedOcc 0
21 mol 219 unq 0 iso 0 dist 8.09769 8.58891 10.0702 12.3063 9.64116 17.4341 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 9.98232 8.37596 8.58535 13.2586 9.9868 11.5899 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 9.98232 8.37596 8.58535 12.8691 7.3268 15.2817 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.89538 8.62485 5.7648 7.54878 6.46771 10.6732 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 8.89538 9.37688 9.56124 7.54878 6.46771 13.5213 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 7.72749 9.32456 7.64118 6.91113 8.97531 13.3421 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 9.84188 4.1545 13.7583 5.11865 9.54359 7.98956 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 9.84188 4.25172 13.6433 5.11865 9.54359 5.86185 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.35794 4.1545 11.8607 5.11865 5.69112 7.98956 numMergedOcc 0
30 mol 277 unq 3 iso 0 dist 8.35794 4.1545 11.8607 8.46455 7.2091 11.2004 numMergedOcc 0
31 mol 277 unq 4 iso 0 dist 8.35794 4.25172 10.9137 5.11865 5.69112 5.86185 numMergedOcc 0
32 mol 277 unq 5 iso 0 dist 8.35794 4.25172 10.9137 8.46455 7.2091 8.41856 numMergedOcc 0
33 mol 294 unq 0 iso 0 dist 8.52208 8.32582 5.58675 5.13965 7.56669 10.4035 numMergedOcc 0
