0 mol 32 unq 0 iso 0 dist 7.6082 9.76176 6.76514 4.71264 6.67704 5.52033 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.24687 8.89775 6.76514 8.5755 6.67704 5.52033 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.34361 8.98505 8.41365 14.9943 9.57335 13.0229 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 8.34361 8.98505 8.41365 11.5332 8.60653 11.0681 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.91313 15.8729 8.68888 11.5851 5.67362 5.11693 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 4.69926 4.9574 6.16039 6.84415 6.87196 6.08911 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 9.14877 10.9006 9.7281 6.78739 5.25309 5.35588 numMergedOcc 0
7 mol 211 unq 0 iso 0 dist 6.42375 5.51063 9.62163 9.59572 8.76958 13.4337 numMergedOcc 0
8 mol 211 unq 1 iso 0 dist 6.42375 5.80968 8.48297 9.59572 8.76958 6.32033 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 6.64341 8.39567 8.45955 4.37504 8.06003 6.25016 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 6.64341 8.58398 7.64168 4.37504 8.06003 5.65118 numMergedOcc 0
11 mol 220 unq 2 iso 0 dist 7.31315 6.65038 8.45955 5.69801 8.06003 6.25016 numMergedOcc 0
12 mol 220 unq 3 iso 0 dist 7.31315 9.86325 7.64168 5.69801 8.06003 5.65118 numMergedOcc 0
13 mol 257 unq 0 iso 0 dist 9.27027 7.37187 7.48361 12.4553 6.8256 9.00137 numMergedOcc 0
14 mol 257 unq 1 iso 0 dist 7.87058 7.91645 7.48361 3.63342 6.8256 9.00137 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 7.91992 4.29127 8.62043 4.60075 7.88238 5.7252 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 7.35799 5.93805 8.46687 8.34527 7.10052 6.06723 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.8643 10.2396 8.50767 12.9629 5.21664 9.09973 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 9.24895 6.13953 6.10834 15.0891 8.6522 9.09973 numMergedOcc 0
19 mol 279 unq 3 iso 0 dist 8.34154 6.7711 6.10834 4.01471 8.6522 9.09973 numMergedOcc 0
20 mol 279 unq 4 iso 0 dist 9.07176 6.7711 8.24233 4.01471 7.31529 9.09973 numMergedOcc 0
21 mol 279 unq 5 iso 0 dist 5.90456 6.7711 8.50767 4.01471 5.21664 9.09973 numMergedOcc 0
