0 mol 54 unq 0 iso 0 dist 8.16246 9.48823 5.58256 10.4221 6.29755 7.4038 numMergedOcc 0
1 mol 54 unq 0 iso 1 dist 9.48823 8.16246 5.58256 10.4221 7.4038 6.29755 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 numMergedOcc 0
3 mol 64 unq 0 iso 1 dist 9.75299 8.52643 4.78627 7.59945 7.66372 5.45684 numMergedOcc 0
4 mol 64 unq 1 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 numMergedOcc 0
5 mol 64 unq 1 iso 1 dist 9.75299 8.52643 4.78627 13.3239 9.99743 7.76644 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 numMergedOcc 0
7 mol 64 unq 2 iso 1 dist 9.30042 5.41357 4.78627 5.65551 7.66372 5.45684 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 numMergedOcc 0
9 mol 64 unq 3 iso 1 dist 9.30042 5.41357 4.78627 9.81422 9.99743 7.76644 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 7.51967 6.04303 4.29326 6.72978 9.25638 8.01856 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 6.04303 7.51967 4.29326 6.72978 8.01856 9.25638 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 7.60956 9.9171 5.17212 5.00766 6.55217 7.21686 numMergedOcc 0
13 mol 140 unq 0 iso 1 dist 9.9171 7.60956 5.17212 5.00766 7.21686 6.55217 numMergedOcc 0
14 mol 174 unq 0 iso 0 dist 8.16228 8.57467 5.33032 5.38744 9.56869 7.37131 numMergedOcc 0
15 mol 174 unq 0 iso 1 dist 8.57467 8.16228 5.33032 5.38744 7.37131 9.56869 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 5.25149 8.6368 11.0459 8.17619 9.57625 8.08702 numMergedOcc 0
17 mol 220 unq 0 iso 1 dist 8.6368 5.25149 11.0459 8.17619 8.08702 9.57625 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 6.97426 8.87456 4.71901 4.68566 7.96628 7.76053 numMergedOcc 0
19 mol 223 unq 0 iso 1 dist 8.87456 6.97426 4.71901 4.68566 7.76053 7.96628 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 3.92881 8.96263 7.35677 numMergedOcc 0
21 mol 224 unq 0 iso 1 dist 7.96226 7.31608 5.19836 3.92881 7.35677 8.96263 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.10903 7.25618 5.31174 5.79358 8.73425 9.65711 numMergedOcc 0
23 mol 258 unq 0 iso 1 dist 7.25618 8.10903 5.31174 5.79358 9.65711 8.73425 numMergedOcc 0
24 mol 261 unq 0 iso 0 dist 7.58385 6.0437 5.29945 6.29331 8.25759 6.99444 numMergedOcc 0
25 mol 261 unq 0 iso 1 dist 6.0437 7.58385 5.29945 6.29331 6.99444 8.25759 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 8.54984 6.04225 5.72971 6.0405 8.30313 6.51248 numMergedOcc 0
27 mol 282 unq 0 iso 1 dist 6.04225 8.54984 5.72971 6.0405 6.51248 8.30313 numMergedOcc 0
