0 mol 12 unq 0 iso 0 dist 5.76006 5.25583 4.86727 6.62201 11.4552 8.18139 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.75901 9.41816 4.46139 4.02928 5.36413 7.6477 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 9.69775 8.5865 17.0629 13.5924 21.1899 8.32902 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 9.01202 8.5865 15.3286 13.5924 20.9354 8.32902 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.77714 7.99735 5.41488 5.41436 8.94842 7.34325 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.77714 7.99735 5.41488 6.53592 9.9555 6.42037 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.46118 9.7516 5.41488 9.58119 8.94842 7.34325 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 6.46118 9.7516 5.41488 12.1293 9.9555 6.42037 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.65519 7.85826 5.88036 4.08338 8.13162 7.11238 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.21723 6.00684 9.59932 5.22146 12.6565 8.4416 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 8.21723 6.00684 9.59932 9.79892 15.9756 7.79538 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 9.62606 6.10085 11.0189 3.64097 12.8776 7.00456 numMergedOcc 0
12 mol 217 unq 1 iso 0 dist 9.62606 6.10085 11.0189 8.43469 14.6994 8.99484 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 9.3888 9.85507 5.82963 4.00152 9.21416 9.5745 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 5.1498 5.77947 5.31074 4.48277 9.03056 7.03532 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 6.02845 7.61854 8.84253 14.3613 15.867 8.75172 numMergedOcc 0
16 mol 236 unq 1 iso 0 dist 9.35599 7.61854 14.1956 14.3613 20.6484 8.75172 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 9.69819 9.1776 6.27569 16.3156 7.95874 9.07781 numMergedOcc 0
18 mol 251 unq 0 iso 0 dist 5.63943 8.08045 5.16386 4.66779 9.31313 9.65275 numMergedOcc 0
