0 mol 34 unq 0 iso 0 dist 8.28811 8.6127 3.85603 10.516 9.26362 11.1239 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.28811 8.6127 3.85603 9.16728 7.05327 6.38866 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.28811 9.25005 7.03719 10.516 9.26362 15.2009 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.28811 9.25005 7.03719 9.16728 7.05327 10.7075 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 6.29253 8.6127 4.42374 9.16728 9.29284 6.38866 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 6.29253 9.25005 3.69607 9.16728 9.29284 10.7075 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.71991 7.45026 9.67572 9.22808 6.18681 12.343 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 8.71991 7.45026 9.67572 9.61403 9.33288 15.238 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 9.07528 8.09329 4.12403 7.36026 8.53618 10.7894 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 9.07528 5.80266 8.58632 7.36026 8.53618 5.36214 numMergedOcc 0
10 mol 123 unq 2 iso 0 dist 6.24626 5.18305 4.43225 6.45068 8.53618 5.56127 numMergedOcc 0
11 mol 123 unq 3 iso 0 dist 6.24626 6.13025 4.12403 6.45068 8.53618 10.7894 numMergedOcc 0
12 mol 123 unq 4 iso 0 dist 6.24626 6.78431 8.58632 6.45068 8.53618 5.36214 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 4.86894 7.99127 4.19541 10.7652 8.08798 4.3855 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 5.29147 7.00278 3.99343 6.46602 7.76863 8.32259 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 8.39955 8.5458 8.0396 6.50485 9.39609 13.2445 numMergedOcc 0
16 mol 256 unq 0 iso 0 dist 7.54244 3.62582 8.80744 9.16813 5.85613 11.8183 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 8.47112 9.02882 3.70701 9.75881 8.6262 11.5473 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 6.50648 8.3831 4.58127 8.32685 9.06774 13.2763 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 6.50648 8.3831 4.58127 5.93642 7.83424 7.31132 numMergedOcc 0
20 mol 283 unq 2 iso 0 dist 6.50648 8.44179 3.62402 8.32685 9.06774 9.90287 numMergedOcc 0
21 mol 283 unq 3 iso 0 dist 6.50648 8.44179 3.62402 5.93642 7.83424 10.5454 numMergedOcc 0
22 mol 285 unq 0 iso 0 dist 5.32578 6.94666 6.01515 8.56197 6.01404 5.88958 numMergedOcc 0
