0 mol 18 unq 0 iso 0 dist 7.23594 9.00899 4.59668 6.05493 9.1397 12.7664 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.23594 7.826 13.2203 6.05493 9.1397 12.8484 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.61029 7.54282 7.11305 5.34406 7.98005 8.97754 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.61029 7.54282 7.11305 11.3355 8.31381 13.5629 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 8.2513 9.72136 14.5035 4.38299 9.45756 13.6147 numMergedOcc 0
5 mol 46 unq 1 iso 0 dist 8.2513 4.61355 12.3186 4.38299 9.45756 5.4713 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.6606 4.88863 5.74372 7.39492 8.06267 9.63906 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.6606 4.88863 5.74372 4.89623 5.88334 7.71872 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 6.27528 6.22498 5.10993 4.29847 9.83836 10.4042 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 6.27528 6.22498 5.10993 8.0664 9.58351 9.14801 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 5.02591 8.06358 6.9648 11.1086 7.91148 13.3278 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 5.02591 8.06358 6.9648 10.2834 6.59794 12.9105 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 5.02591 8.06358 6.9648 10.0935 8.34957 12.0144 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 6.59361 8.27843 8.4494 3.32173 9.10911 9.25023 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 5.09114 7.34585 6.9791 4.92712 4.42563 10.2878 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 8.87148 8.18122 4.1335 8.75597 8.111 4.14492 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 9.26057 6.70684 4.1335 6.36283 8.111 4.14492 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 5.80867 8.37455 6.0599 6.36333 6.77156 12.3339 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 5.80867 8.37455 6.0599 3.69483 7.97894 11.6674 numMergedOcc 0
19 mol 198 unq 2 iso 0 dist 5.80867 8.37455 6.0599 9.0575 8.08471 10.6821 numMergedOcc 0
20 mol 198 unq 3 iso 0 dist 9.4363 8.80827 15.1173 13.9439 6.77156 18.8765 numMergedOcc 0
21 mol 198 unq 4 iso 0 dist 9.4363 8.80827 15.1173 11.1303 7.97894 14.5924 numMergedOcc 0
22 mol 198 unq 5 iso 0 dist 9.4363 8.80827 15.1173 5.89703 8.08471 13.8404 numMergedOcc 0
23 mol 198 unq 6 iso 0 dist 9.4363 8.17562 6.0599 13.9439 6.77156 12.3339 numMergedOcc 0
24 mol 198 unq 7 iso 0 dist 9.4363 8.17562 6.0599 11.1303 7.97894 11.6674 numMergedOcc 0
25 mol 198 unq 8 iso 0 dist 9.4363 8.17562 6.0599 5.89703 8.08471 10.6821 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 5.52981 5.92364 6.04002 8.95992 6.1896 10.7766 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 5.52981 5.92364 6.04002 6.50485 6.09255 10.9502 numMergedOcc 0
