0 mol 18 unq 0 iso 0 dist 7.63261 5.94326 10.0434 5.03451 10.7484 6.16971 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.99557 7.06922 14.0277 9.942 6.54685 11.8315 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.99557 7.06922 14.0277 5.92771 11.9936 9.41508 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.67331 8.74807 11.9655 8.77395 3.56868 9.17803 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 8.67331 8.74807 11.9655 6.91288 3.53986 11.7107 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 8.67331 8.74807 11.9655 8.60087 7.94035 4.98995 numMergedOcc 0
6 mol 55 unq 3 iso 0 dist 8.67331 8.05456 11.2759 8.77395 3.56868 13.5038 numMergedOcc 0
7 mol 55 unq 4 iso 0 dist 8.67331 8.05456 11.2759 6.91288 3.53986 10.1196 numMergedOcc 0
8 mol 55 unq 5 iso 0 dist 8.67331 8.05456 11.2759 8.60087 7.94035 15.0174 numMergedOcc 0
9 mol 55 unq 6 iso 0 dist 8.50163 8.74807 15.6064 8.77395 10.8666 9.17803 numMergedOcc 0
10 mol 55 unq 7 iso 0 dist 8.50163 8.74807 15.6064 6.91288 5.44338 11.7107 numMergedOcc 0
11 mol 55 unq 8 iso 0 dist 8.50163 8.74807 15.6064 8.60087 13.8903 4.98995 numMergedOcc 0
12 mol 55 unq 9 iso 0 dist 8.50163 8.05456 8.71074 8.77395 10.8666 13.5038 numMergedOcc 0
13 mol 55 unq 10 iso 0 dist 8.50163 8.05456 8.71074 6.91288 5.44338 10.1196 numMergedOcc 0
14 mol 55 unq 11 iso 0 dist 8.50163 8.05456 8.71074 8.60087 13.8903 15.0174 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 9.56049 6.21251 9.89759 6.72584 9.78009 11.2465 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 9.56049 6.21251 9.89759 7.25594 4.4399 10.2227 numMergedOcc 0
17 mol 103 unq 0 iso 0 dist 8.60361 6.13194 5.29056 7.85115 8.11883 5.59536 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 8.75007 4.84604 8.58899 7.84085 8.87194 3.75786 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 7.6395 7.76167 6.71172 8.99827 9.13918 3.56704 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 7.6395 8.63766 9.35622 8.99827 9.13918 5.6048 numMergedOcc 0
21 mol 148 unq 2 iso 0 dist 7.6395 8.42082 10.2818 8.99827 9.13918 8.33576 numMergedOcc 0
22 mol 148 unq 3 iso 0 dist 8.6499 6.81055 5.13979 7.91749 15.1552 13.2009 numMergedOcc 0
23 mol 150 unq 0 iso 0 dist 7.67343 7.83202 6.72413 8.97634 9.12533 3.56413 numMergedOcc 0
24 mol 150 unq 1 iso 0 dist 7.67343 8.7107 9.42084 8.97634 9.12533 5.53516 numMergedOcc 0
25 mol 150 unq 2 iso 0 dist 7.67343 8.47493 10.2642 8.97634 9.12533 8.23832 numMergedOcc 0
26 mol 150 unq 3 iso 0 dist 8.75339 6.77966 5.23046 7.96309 15.2935 13.2057 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.83021 9.11273 12.1018 7.93815 5.18174 10.8619 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 9.66909 7.00749 9.6545 7.20524 9.94695 4.51504 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 9.66939 8.81333 4.68717 5.27463 6.51804 6.50729 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 8.21225 8.95513 9.21639 8.45998 3.59127 10.8577 numMergedOcc 0
