0 mol 1 unq 0 iso 0 dist 7.68779 6.41817 11.8728 7.49891 15.1834 7.83632 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 9.41745 7.4036 10.9547 11.6972 17.5245 6.96422 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 7.02884 4.03817 12.5119 10.0032 9.877 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.80499 7.02884 5.12703 12.5119 14.4501 9.877 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 5.19563 12.0096 7.22361 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.15677 9.53735 10.797 14.2716 13.2086 6.15893 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.61029 9.34599 10.797 14.7857 12.0096 7.22361 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 9.61029 9.34599 10.797 7.23962 13.2086 6.15893 numMergedOcc 0
8 mol 26 unq 4 iso 0 dist 9.61029 6.32127 10.9837 7.23962 13.2086 5.497 numMergedOcc 0
9 mol 27 unq 0 iso 0 dist 8.28463 6.75307 6.65855 3.71754 9.77484 8.71752 numMergedOcc 0
10 mol 27 unq 1 iso 0 dist 8.28463 7.24775 14.3929 3.71754 9.77484 7.60283 numMergedOcc 0
11 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 5.59128 5.02241 6.30987 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 8.60577 5.39827 9.23414 6.35361 12.7769 7.46994 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 12.1174 14.448 7.09065 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.91446 6.6157 7.16919 7.39527 4.76815 7.09065 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 7.39527 14.448 7.09065 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 4.93035 9.14007 7.42649 6.70767 6.93652 5.26989 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 9.75558 9.14007 9.43674 6.70767 11.8898 5.26989 numMergedOcc 0
18 mol 153 unq 0 iso 0 dist 9.79001 5.87327 6.65991 5.6219 10.7323 9.75856 numMergedOcc 0
19 mol 189 unq 0 iso 0 dist 9.58744 7.45329 10.1941 5.79318 14.8522 9.33695 numMergedOcc 0
20 mol 189 unq 1 iso 0 dist 9.58744 7.45329 10.1941 4.88868 13.0754 6.31466 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 9.93154 9.84311 10.7656 13.1968 12.4085 7.57454 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.93154 8.85568 10.3825 5.31715 14.4583 9.28891 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 9.18218 9.84311 5.10635 13.1968 11.004 7.57454 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 9.18218 8.85568 8.86483 5.31715 12.9801 9.28891 numMergedOcc 0
25 mol 227 unq 4 iso 0 dist 6.18486 9.84311 6.48027 13.1968 12.8864 7.57454 numMergedOcc 0
26 mol 227 unq 5 iso 0 dist 6.18486 8.85568 6.67321 5.31715 8.83563 9.28891 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 6.92778 11.0437 6.28538 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 10.6548 7.19465 9.58354 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 3.494 7.19465 9.58354 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 9.54236 9.17894 8.52496 11.7057 16.5522 9.24417 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 7.70229 5.94224 8.2662 6.63358 10.4802 6.8972 numMergedOcc 0
32 mol 282 unq 1 iso 0 dist 7.90792 5.94224 6.6348 6.63358 7.32347 6.8972 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 9.22576 9.52718 4.9628 9.81184 9.85934 5.59555 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 9.22576 9.52718 4.9628 9.81184 9.85934 5.59555 numMergedOcc 0
35 mol 289 unq 0 iso 0 dist 9.22576 9.52718 4.9628 9.81184 9.85934 5.59555 numMergedOcc 0
