0 mol 13 unq 0 iso 0 dist 9.71115 7.0868 5.4424 12.0795 14.2898 9.57675 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 8.72535 12.7874 7.85573 10.1339 9.64095 7.42925 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.99557 9.89704 8.55031 6.19084 5.65462 9.81193 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.27499 12.4095 9.67403 21.7065 17.1697 9.32664 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.23036 9.04451 6.98121 13.4627 5.93743 9.50228 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 7.87915 4.37097 6.98121 12.4299 5.93743 9.50228 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.16537 8.22734 6.71671 6.87901 4.1431 9.5002 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.52227 5.49686 6.95914 9.45931 13.2639 7.35385 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.52227 5.49686 6.95914 6.35397 10.9097 8.35864 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 8.6499 12.5069 5.55129 13.2226 5.03347 7.32163 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 8.75339 12.4366 5.53778 13.0594 4.80033 7.42372 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.67838 6.18164 4.96259 10.1056 3.97538 5.67112 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 6.00351 5.51329 5.89788 12.7109 7.32888 9.37899 numMergedOcc 0
13 mol 217 unq 1 iso 0 dist 6.00351 5.51329 5.89788 11.5098 10.7793 6.14304 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 7.49227 9.22288 6.14732 5.87056 4.21811 8.61546 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 7.49227 9.22288 6.14732 8.85568 11.032 7.17024 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 8.09975 10.3528 6.14732 9.55881 4.21811 8.61546 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 8.09975 10.3528 6.14732 13.3633 11.032 7.17024 numMergedOcc 0
