0 mol 45 unq 0 iso 0 dist 4.5673 6.87036 3.61653 4.44247 7.97558 8.98789 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.3768 4.8983 4.39723 7.78899 9.30305 6.8173 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.13535 4.8983 4.1846 7.78899 5.30477 6.8173 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.31426 6.34669 3.77771 7.30364 7.2131 9.22123 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.15654 6.61645 3.87825 10.9929 7.44343 7.36335 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.89887 6.61645 8.8033 10.9929 13.7462 7.36335 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 7.13064 7.44027 4.76749 5.40647 5.76109 9.15802 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 7.8962 7.44027 5.73248 5.40647 8.0955 9.15802 numMergedOcc 0
8 mol 102 unq 0 iso 0 dist 8.62829 9.51771 7.06835 6.43211 12.6609 9.61193 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 4.86767 7.4113 3.67473 3.97585 7.78223 9.00059 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 4.86767 7.4113 3.67473 14.7066 12.2512 9.87517 numMergedOcc 0
11 mol 114 unq 2 iso 0 dist 4.86767 7.4113 3.67473 10.8705 10.0602 7.90713 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 6.62527 5.78493 7.72948 6.26197 11.0514 9.67741 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 8.46376 8.12558 10.3222 7.38452 14.3082 7.53168 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.49831 8.09561 5.83776 5.79944 5.11444 8.78397 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 5.79029 5.93144 6.57937 9.78341 9.85755 5.03758 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 8.09776 9.81055 15.4151 11.9612 17.2622 9.60788 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 5.4455 9.81055 7.29209 11.9612 13.5935 9.60788 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 9.97458 9.3491 11.7712 6.33602 11.642 9.32492 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 7.60896 9.09279 10.3958 12.4893 16.2499 6.71152 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.29788 6.93942 5.68255 8.79627 9.6479 9.137 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 9.29788 9.05161 5.57952 8.79627 9.6479 8.0127 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 9.50983 9.31626 5.68255 5.05272 9.6479 9.137 numMergedOcc 0
23 mol 253 unq 3 iso 0 dist 9.50983 9.77366 5.57952 5.05272 9.6479 8.0127 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 7.00841 5.83039 4.4384 8.16645 11.0121 9.70628 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 7.00841 6.74364 6.09569 8.16645 11.0121 7.98511 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 6.77259 4.95415 5.26919 9.62862 12.8347 7.66814 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 4.87349 8.2236 9.94624 15.479 17.8119 8.2474 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 8.67838 9.29687 4.30125 16.1645 9.78409 7.89784 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 8.67838 9.29687 4.30125 6.27756 9.46421 7.83983 numMergedOcc 0
