0 mol 20 unq 0 iso 0 dist 9.8099 7.79943 5.06274 16.3456 7.93403 11.8326 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.61656 12.0349 8.54392 7.87571 7.02425 8.37361 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.67487 11.7635 8.54392 6.24924 7.02425 8.37361 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 6.95343 9.86672 8.54392 9.62374 7.02425 8.37361 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.44189 13.7039 5.80973 4.55481 6.74143 11.0471 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 9.44189 13.7039 5.80973 13.4762 7.70274 3.40337 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 7.73058 4.52616 9.68049 9.06034 6.15557 12.2217 numMergedOcc 0
7 mol 86 unq 1 iso 0 dist 6.81209 14.3199 9.68049 5.9022 6.15557 12.2217 numMergedOcc 0
8 mol 86 unq 2 iso 0 dist 8.54122 11.2953 9.68049 4.49936 6.15557 12.2217 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 9.46004 9.0558 9.51967 6.4559 8.92441 12.3212 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 7.74216 4.66975 7.43 4.55687 5.98313 6.11889 numMergedOcc 0
11 mol 157 unq 0 iso 0 dist 6.8364 6.55112 8.07668 10.308 7.30209 9.52742 numMergedOcc 0
12 mol 157 unq 1 iso 0 dist 6.8364 3.8758 7.96098 10.308 7.30209 13.2115 numMergedOcc 0
13 mol 170 unq 0 iso 0 dist 6.36868 4.06625 8.51679 6.86812 6.92359 8.17835 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 5.40597 8.77962 8.25833 9.13819 6.83121 3.38613 numMergedOcc 0
15 mol 219 unq 1 iso 0 dist 7.66784 10.8335 8.25833 11.6561 6.83121 3.38613 numMergedOcc 0
16 mol 219 unq 2 iso 0 dist 8.69579 12.7799 8.25833 11.1178 6.83121 3.38613 numMergedOcc 0
17 mol 219 unq 3 iso 0 dist 6.71733 6.63943 8.25833 4.72332 6.83121 3.38613 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.45139 11.1638 7.95081 10.3 9.50048 9.65133 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 8.10769 6.08056 7.95081 8.7363 9.50048 9.65133 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 7.27258 10.8564 8.9427 9.08418 6.22884 4.27883 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 7.27258 10.8564 8.9427 9.51776 8.69671 17.148 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 7.27258 10.8564 8.9427 11.589 7.67041 10.5518 numMergedOcc 0
23 mol 244 unq 3 iso 0 dist 5.29811 12.506 8.9427 8.57313 6.22884 4.27883 numMergedOcc 0
24 mol 244 unq 4 iso 0 dist 5.29811 12.506 8.9427 6.1597 8.69671 17.148 numMergedOcc 0
25 mol 244 unq 5 iso 0 dist 5.29811 12.506 8.9427 5.8752 7.67041 10.5518 numMergedOcc 0
