0 mol 27 unq 0 iso 0 dist 7.96312 15.4799 7.60283 20.5695 13.3658 7.56229 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.96312 15.4799 7.60283 8.57551 5.92112 9.94082 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 7.67129 14.1714 7.60283 20.6901 13.3658 7.56229 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 7.67129 14.1714 7.60283 9.32506 5.92112 9.94082 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.18097 12.8729 6.05495 15.3689 6.64001 9.03785 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.18097 12.8729 6.05495 12.0044 4.58085 8.97148 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 8.83135 3.97167 6.05495 8.96872 6.64001 9.03785 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 8.83135 3.97167 6.05495 10.1106 4.58085 8.97148 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.12854 6.34223 5.60389 10.0178 5.3899 9.82136 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 7.81731 5.80806 7.70313 9.20544 11.2619 9.79579 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.36723 5.73251 6.71555 7.15255 5.51374 7.26577 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 10.5532 6.05109 8.60089 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 7.46919 6.43817 9.73927 10.5532 9.44448 8.60089 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 10.6047 6.21463 8.54995 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 7.36989 6.48058 9.66129 10.6047 9.57325 8.54995 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 7.90789 9.00139 6.21271 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 9.31172 8.94838 6.64779 4.13397 7.55884 8.94895 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 5.07761 6.26251 7.47932 4.97597 6.19344 6.29723 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 4.88303 8.2618 6.44904 9.92583 5.55241 9.22794 numMergedOcc 0
19 mol 184 unq 1 iso 0 dist 4.88303 8.2618 6.44904 13.1024 13.3066 9.39586 numMergedOcc 0
20 mol 184 unq 2 iso 0 dist 4.88303 8.2618 6.44904 5.67457 4.53585 6.96132 numMergedOcc 0
21 mol 254 unq 0 iso 0 dist 7.28781 6.69832 8.94909 12.7212 12.3017 7.49277 numMergedOcc 0
22 mol 254 unq 1 iso 0 dist 7.00841 9.65183 8.94909 16.1155 12.3017 7.49277 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 9.38952 9.6632 5.80452 7.15389 3.84243 7.06977 numMergedOcc 0
24 mol 280 unq 1 iso 0 dist 7.42529 5.97333 5.80452 7.70759 3.84243 7.06977 numMergedOcc 0
