0 mol 17 unq 0 iso 0 dist 7.30541 8.58468 5.67737 5.22923 8.55161 6.64199 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.30541 9.83791 8.56005 5.22923 8.55161 13.1606 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.30541 7.95007 8.04504 5.22923 8.55161 8.90155 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.88399 9.08536 6.08168 3.94196 5.65754 7.61183 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.22704 6.00684 10.1574 6.02092 7.75543 6.64921 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.27877 9.37034 4.74629 3.81285 7.51319 8.67342 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.27877 9.37034 4.74629 6.17121 8.49887 8.60062 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.27877 6.60091 7.39588 3.81285 7.51319 5.73739 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 6.27877 6.60091 7.39588 6.17121 8.49887 5.16225 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 6.74185 9.05572 5.94269 11.1744 8.79752 12.0308 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 6.74185 9.05572 5.94269 3.52268 7.29985 9.84239 numMergedOcc 0
11 mol 176 unq 2 iso 0 dist 6.74185 9.05572 5.94269 7.39809 7.58281 9.1728 numMergedOcc 0
12 mol 176 unq 3 iso 0 dist 6.74185 9.05572 5.94269 8.44347 8.8756 8.0255 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.50096 9.46821 9.40355 6.41178 8.2484 14.3949 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 9.91416 8.52401 9.40355 9.33444 8.2484 14.3949 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.17408 6.70738 10.3685 3.65952 8.99104 4.37138 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 6.17602 8.55314 10.3685 7.05149 8.99104 4.37138 numMergedOcc 0
17 mol 251 unq 0 iso 0 dist 7.73217 8.08045 4.72905 3.46172 8.15014 7.90148 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.08479 9.87436 16.661 9.42852 7.36137 19.1777 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.08479 9.87436 16.661 9.63536 4.95415 19.2877 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 8.08479 7.27283 9.91179 9.42852 7.36137 12.0394 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 8.08479 7.27283 9.91179 9.63536 4.95415 11.6448 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.60635 8.17727 6.5975 6.85091 9.29687 12.1831 numMergedOcc 0
