0 mol 8 unq 0 iso 0 dist 6.4754 4.67793 9.01112 12.6147 13.7837 9.08552 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.57999 11.5556 9.01112 18.0925 13.7837 9.08552 numMergedOcc 0
2 mol 8 unq 2 iso 0 dist 7.3795 4.67793 7.62333 12.6147 8.69443 9.08552 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 9.16444 6.92407 8.30653 14.1387 7.50668 9.47528 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 6.28033 6.64634 7.65889 9.15653 5.70228 6.21616 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.77018 12.6833 9.2898 12.3579 5.02731 5.62688 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 6.68311 8.89611 7.12321 15.3732 11.6369 8.16985 numMergedOcc 0
7 mol 72 unq 1 iso 0 dist 9.96602 9.64805 9.56773 15.3732 11.4334 7.81344 numMergedOcc 0
8 mol 72 unq 2 iso 0 dist 9.96602 9.64805 9.56773 14.3291 7.58401 7.49245 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 8.41567 6.65453 6.72869 8.24753 5.49132 8.96039 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 5.56964 6.65453 9.85905 8.24753 6.71804 8.96039 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 6.62246 7.15288 6.72869 11.0857 5.49132 8.96039 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.92577 11.1947 5.35782 14.1085 5.92158 5.30117 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 9.56324 12.9628 5.35782 13.638 5.92158 5.30117 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 7.51061 6.98893 6.29161 9.7137 5.25186 9.05604 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 7.51061 11.231 7.86666 9.7137 5.25186 5.58623 numMergedOcc 0
16 mol 117 unq 0 iso 0 dist 7.0318 7.5937 6.10127 9.14994 5.34484 8.54233 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 9.14908 9.15345 6.14151 13.0533 5.50176 5.90339 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 6.85672 4.97003 5.90058 11.2345 9.80039 7.05095 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 5.70546 6.39046 7.24366 10.8823 5.85038 8.76604 numMergedOcc 0
