0 mol 58 unq 0 iso 0 dist 9.56737 7.84983 4.81926 13.6875 7.17488 9.9105 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.68526 7.26679 15.7123 8.0072 6.23522 11.3218 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.68526 9.30776 13.7412 8.0072 6.23522 12.8353 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.72442 9.02288 17.8791 9.61302 6.23522 17.5741 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 9.80678 9.43411 9.15076 6.94341 5.54256 10.6142 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 5.25492 7.21229 4.56913 7.32685 9.10911 12.7232 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.42445 7.25166 11.6284 13.1958 9.93438 18.3279 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 7.11388 8.83131 9.97817 4.32945 8.2777 13.0071 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.54461 7.83619 8.38345 4.81304 8.81797 5.92733 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 7.83619 8.54461 8.38345 4.81304 5.92733 8.81797 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 9.18866 9.84695 15.2746 6.99467 6.73617 16.3808 numMergedOcc 0
11 mol 147 unq 1 iso 0 dist 9.18866 9.84695 15.2746 4.53687 9.03544 14.3777 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 9.57611 5.08206 9.24932 9.57126 9.32259 12.7901 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 8.31638 9.99185 5.18293 3.57449 9.4629 10.3147 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 9.72979 6.97859 7.08143 13.6373 9.4629 15.3729 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 5.36776 4.97263 5.6276 12.8843 9.6834 14.1413 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 5.81927 6.09782 4.26007 4.87461 7.12221 9.60414 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 5.81927 6.09782 4.26007 9.93118 5.4557 9.62202 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.02749 7.79904 12.8986 12.2201 8.12739 13.0817 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.02749 7.79904 12.8986 12.2802 6.09853 16.0111 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.02914 8.57532 9.50605 11.5613 7.42932 15.8144 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.02914 6.90434 7.08227 11.5613 7.42932 4.9764 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 6.90434 8.57532 12.7728 11.5613 4.9764 15.8144 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 6.90434 8.57532 12.7728 13.0566 6.36559 18.5766 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 6.90434 9.02914 7.08227 11.5613 4.9764 7.42932 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 6.90434 9.02914 7.08227 13.0566 6.36559 10.5562 numMergedOcc 0
