0 mol 24 unq 0 iso 0 dist 8.21811 7.43716 8.24948 11.3314 5.80953 6.99746 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70016 8.74779 7.96195 12.6622 4.44526 9.22115 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.70016 8.74779 7.96195 7.63657 9.586 9.15493 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.13078 6.79243 8.24948 3.4435 5.80953 6.99746 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.15382 10.6773 7.96195 4.21221 4.44526 9.22115 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.15382 10.6773 7.96195 14.8922 9.586 9.15493 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.63216 7.38627 7.96195 3.72191 4.44526 9.22115 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.63216 7.38627 7.96195 10.7324 9.586 9.15493 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.13863 5.22495 6.38243 5.60677 6.81793 5.66783 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.806 12.323 6.9223 4.2144 6.87506 8.67827 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.806 15.2237 7.0561 4.2144 6.87506 13.0818 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 5.64143 5.47302 7.34602 9.55341 8.06134 12.2538 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 5.64143 5.47302 7.34602 8.7368 5.36587 8.49846 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 4.22806 8.58511 9.57341 6.65893 8.67537 14.8901 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.16332 5.45107 6.11331 11.4872 9.97968 10.8263 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 9.16901 9.7379 7.8744 7.66364 6.94762 8.98957 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 9.16901 9.7379 7.8744 3.7016 7.7086 6.59663 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.60053 15.8396 9.43618 5.78036 9.18728 12.8075 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.60053 15.8396 9.43618 14.7628 8.91971 4.59123 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 9.24224 15.7372 8.88763 3.88767 8.95511 16.7674 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 9.24224 15.7372 8.88763 14.3169 5.85002 9.48848 numMergedOcc 0
21 mol 239 unq 2 iso 0 dist 9.24224 11.866 6.43209 3.88767 8.95511 13.3917 numMergedOcc 0
22 mol 239 unq 3 iso 0 dist 9.24224 11.866 6.43209 14.3169 5.85002 6.77384 numMergedOcc 0
23 mol 239 unq 4 iso 0 dist 9.24224 6.327 8.48769 3.88767 8.95511 9.38172 numMergedOcc 0
24 mol 239 unq 5 iso 0 dist 9.24224 6.327 8.48769 14.3169 5.85002 11.9537 numMergedOcc 0
25 mol 252 unq 0 iso 0 dist 9.03266 13.2367 9.39658 9.96528 8.09509 17.2823 numMergedOcc 0
26 mol 252 unq 1 iso 0 dist 9.03266 7.10224 5.9974 9.96528 8.09509 12.0545 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 5.3725 5.23774 5.4307 9.23974 5.61969 9.76492 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 5.3725 5.23774 5.4307 10.9233 9.0277 11.5256 numMergedOcc 0
