0 mol 9 unq 0 iso 0 dist 8.77074 11.5622 8.29595 13.5624 8.18219 8.01055 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77074 11.5622 8.29595 15.6834 11.9052 8.61976 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 9.23241 6.76039 8.83047 9.09831 5.75171 6.70095 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.96507 5.54298 8.72552 10.7544 4.44303 8.11345 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.53468 9.70734 8.91206 12.1521 6.88106 7.45777 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.90954 9.93198 8.91206 10.1371 6.88106 7.45777 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.69384 6.05149 6.07578 5.55798 6.15669 8.64686 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.49192 13.907 9.7695 20.3316 12.8915 8.078 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 9.49192 13.907 9.7695 10.8993 6.09055 6.56481 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 7.49224 12.1962 7.73993 9.86795 5.71872 8.53914 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.98999 14.3349 7.35503 12.7328 5.9331 9.3757 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 7.98999 9.87475 6.48223 12.7328 5.9331 9.42014 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 7.68295 5.24208 6.81707 10.0089 5.04086 6.19457 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 8.84125 4.0252 6.76315 7.99897 7.00808 8.29364 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 8.84125 4.0252 6.76315 11.0442 5.9727 8.97652 numMergedOcc 0
15 mol 183 unq 2 iso 0 dist 8.23616 5.66126 6.76315 7.58913 7.00808 8.29364 numMergedOcc 0
16 mol 183 unq 3 iso 0 dist 8.23616 5.66126 6.76315 6.0782 5.9727 8.97652 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 5.66593 5.80426 8.54245 9.58608 6.65791 7.70472 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 5.66593 5.80426 8.54245 11.4335 8.93852 9.16988 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.89698 16.839 9.4626 13.5814 5.53273 9.34051 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 9.2542 5.83603 6.16375 10.4239 4.35814 6.37998 numMergedOcc 0
