0 mol 7 unq 0 iso 0 dist 7.12105 8.48947 8.0744 5.35168 8.15894 12.8006 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.98267 6.74143 12.3532 4.38777 9.58596 4.58552 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 5.98267 7.70274 6.34254 4.38777 9.58596 11.2418 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 9.69257 6.16682 11.6348 17.1914 9.6121 20.8548 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 9.69257 6.16682 11.6348 10.9729 9.57341 14.339 numMergedOcc 0
5 mol 170 unq 0 iso 0 dist 6.79696 6.92359 8.5768 5.40635 5.13268 8.75024 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 6.03843 9.40866 13.0558 8.11114 8.999 16.6872 numMergedOcc 0
7 mol 171 unq 1 iso 0 dist 6.03843 5.27971 9.69361 8.11114 8.999 9.80507 numMergedOcc 0
8 mol 196 unq 0 iso 0 dist 6.42817 8.71679 13.1455 3.99067 6.25813 11.6793 numMergedOcc 0
9 mol 196 unq 1 iso 0 dist 6.42817 8.16443 9.75704 3.99067 6.25813 11.6267 numMergedOcc 0
10 mol 207 unq 0 iso 0 dist 7.28811 8.98469 5.47626 10.8036 8.78061 4.76113 numMergedOcc 0
11 mol 207 unq 1 iso 0 dist 7.28811 6.26371 7.64813 10.8036 8.78061 9.29133 numMergedOcc 0
12 mol 207 unq 2 iso 0 dist 7.28811 7.81976 11.9725 10.8036 8.78061 12.1046 numMergedOcc 0
13 mol 207 unq 3 iso 0 dist 7.28811 6.88283 9.68499 10.8036 8.78061 13.8723 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 4.96527 7.8168 6.93188 6.87483 6.42694 12.4584 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 4.96527 7.8168 6.93188 9.79153 7.63917 11.5308 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.06516 9.50048 7.2178 7.77371 8.48769 13.6263 numMergedOcc 0
17 mol 270 unq 0 iso 0 dist 9.88151 7.9119 8.99387 13.6695 7.39185 15.8998 numMergedOcc 0
18 mol 270 unq 1 iso 0 dist 9.88151 7.9119 8.99387 11.1738 8.20158 14.6571 numMergedOcc 0
