0 mol 61 unq 0 iso 0 dist 6.71467 9.22002 10.8063 7.52103 6.66385 6.86346 numMergedOcc 0
1 mol 61 unq 0 iso 1 dist 6.71467 7.52103 6.66385 9.22002 10.8063 6.86346 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 5.69055 5.47319 7.76775 9.8809 13.1847 8.99811 numMergedOcc 0
3 mol 69 unq 0 iso 1 dist 5.69055 9.8809 13.1847 5.47319 7.76775 8.99811 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 7.86537 12.6939 5.57085 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 5.74637 7.86537 12.6939 7.74197 13.1838 5.57085 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 5.74637 7.74197 13.1838 6.35462 6.63027 9.94966 numMergedOcc 0
7 mol 88 unq 1 iso 1 dist 5.74637 6.35462 6.63027 7.74197 13.1838 9.94966 numMergedOcc 0
8 mol 88 unq 1 iso 0 dist 5.74637 7.86537 12.6939 6.35462 6.63027 10.9968 numMergedOcc 0
9 mol 88 unq 1 iso 1 dist 5.74637 6.35462 6.63027 7.86537 12.6939 10.9968 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.02302 8.69069 5.76815 9.65047 13.209 15.3836 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 9.02302 9.65047 13.209 8.69069 5.76815 15.3836 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 8.78082 7.01358 10.5871 numMergedOcc 0
13 mol 129 unq 0 iso 1 dist 7.13958 8.78082 7.01358 9.28278 4.80675 10.5871 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.75755 8.6537 12.696 8.75374 11.2019 5.1556 numMergedOcc 0
15 mol 229 unq 0 iso 1 dist 5.75755 8.75374 11.2019 8.6537 12.696 5.1556 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 5.75755 8.6537 12.696 7.10634 6.73193 10.6558 numMergedOcc 0
17 mol 229 unq 1 iso 1 dist 5.75755 7.10634 6.73193 8.6537 12.696 10.6558 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 5.75755 8.6537 12.696 5.57702 6.44004 7.0298 numMergedOcc 0
19 mol 229 unq 2 iso 1 dist 5.75755 5.57702 6.44004 8.6537 12.696 7.0298 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 5.75755 8.75374 11.2019 7.10634 6.73193 6.87246 numMergedOcc 0
21 mol 229 unq 1 iso 1 dist 5.75755 7.10634 6.73193 8.75374 11.2019 6.87246 numMergedOcc 0
22 mol 229 unq 2 iso 0 dist 5.75755 8.75374 11.2019 5.57702 6.44004 6.54885 numMergedOcc 0
23 mol 229 unq 2 iso 1 dist 5.75755 5.57702 6.44004 8.75374 11.2019 6.54885 numMergedOcc 0
24 mol 229 unq 2 iso 0 dist 5.75755 7.10634 6.73193 5.57702 6.44004 7.08329 numMergedOcc 0
25 mol 229 unq 2 iso 1 dist 5.75755 5.57702 6.44004 7.10634 6.73193 7.08329 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 5.6568 6.11137 6.49831 7.89744 6.81625 6.59448 numMergedOcc 0
27 mol 236 unq 0 iso 1 dist 5.6568 7.89744 6.81625 6.11137 6.49831 6.59448 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 9.67311 7.36905 11.6328 6.83408 6.28828 8.96144 numMergedOcc 0
29 mol 264 unq 0 iso 1 dist 9.67311 6.83408 6.28828 7.36905 11.6328 8.96144 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 8.49076 7.23876 12.8986 numMergedOcc 0
31 mol 274 unq 0 iso 1 dist 6.28023 8.49076 7.23876 9.09967 5.7574 12.8986 numMergedOcc 0
32 mol 293 unq 0 iso 0 dist 6.97887 9.55282 5.67215 6.27435 11.4201 10.9721 numMergedOcc 0
33 mol 293 unq 0 iso 1 dist 6.97887 6.27435 11.4201 9.55282 5.67215 10.9721 numMergedOcc 0
34 mol 293 unq 1 iso 0 dist 4.66962 9.55282 8.36783 6.27435 9.51167 10.9721 numMergedOcc 0
35 mol 293 unq 1 iso 1 dist 4.66962 6.27435 9.51167 9.55282 8.36783 10.9721 numMergedOcc 0
36 mol 293 unq 2 iso 0 dist 6.04186 9.55282 6.91752 6.27435 5.66805 10.9721 numMergedOcc 0
37 mol 293 unq 2 iso 1 dist 6.04186 6.27435 5.66805 9.55282 6.91752 10.9721 numMergedOcc 0
