0 mol 17 unq 0 iso 0 dist 6.89863 9.54285 5.21083 9.81441 7.96836 7.34681 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.89863 9.54285 5.21083 12.5373 8.49309 12.5763 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 5.09936 5.72494 6.35861 5.40051 7.68908 7.66418 numMergedOcc 0
3 mol 103 unq 1 iso 0 dist 5.09936 5.72494 6.35861 4.90013 7.95587 9.97835 numMergedOcc 0
4 mol 103 unq 2 iso 0 dist 5.09936 8.70106 5.56761 5.40051 7.68908 8.078 numMergedOcc 0
5 mol 103 unq 3 iso 0 dist 5.09936 8.70106 5.56761 4.90013 7.95587 10.844 numMergedOcc 0
6 mol 132 unq 0 iso 0 dist 9.51094 9.10144 8.84157 5.36829 8.58873 6.94745 numMergedOcc 0
7 mol 167 unq 0 iso 0 dist 5.78397 6.6514 10.8251 6.73015 8.68179 12.2548 numMergedOcc 0
8 mol 167 unq 1 iso 0 dist 5.78397 6.6514 10.8251 6.63124 5.32056 12.8904 numMergedOcc 0
9 mol 167 unq 2 iso 0 dist 5.78397 6.6514 10.8251 12.0166 9.52659 18.0442 numMergedOcc 0
10 mol 167 unq 3 iso 0 dist 5.36359 6.6514 4.72853 8.3419 6.26373 7.20545 numMergedOcc 0
11 mol 167 unq 4 iso 0 dist 5.36359 6.6514 4.72853 6.73015 8.94308 12.2548 numMergedOcc 0
12 mol 167 unq 5 iso 0 dist 5.36359 6.6514 4.72853 6.63124 9.74227 12.8904 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.32543 7.5696 5.5367 9.55695 7.52692 6.20044 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.89136 7.66083 11.12 6.48083 9.92349 5.25149 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.89136 7.66083 11.12 6.54824 9.70779 8.6368 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 5.52789 9.10712 4.36153 7.57685 8.19595 7.90763 numMergedOcc 0
17 mol 276 unq 0 iso 0 dist 8.02433 5.71066 7.74891 13.3593 8.63212 11.7609 numMergedOcc 0
18 mol 276 unq 1 iso 0 dist 8.02433 8.0652 4.13053 6.40983 7.86619 7.60807 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.39418 9.11602 9.16384 8.63632 9.71269 16.6513 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 7.39418 9.11602 9.16384 7.31462 9.40407 8.40726 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 7.39418 9.11602 9.16384 8.63632 9.71269 16.6513 numMergedOcc 0
22 mol 288 unq 1 iso 0 dist 7.39418 9.11602 9.16384 7.31462 9.40407 8.40726 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.39418 9.11602 9.16384 8.63632 9.71269 16.6513 numMergedOcc 0
24 mol 289 unq 1 iso 0 dist 7.39418 9.11602 9.16384 7.31462 9.40407 8.40726 numMergedOcc 0
