0 mol 10 unq 0 iso 0 dist 5.99743 8.98746 7.60549 9.94602 13.3419 8.7908 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 9.86409 5.75809 7.57437 13.5265 13.7206 8.53424 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 9.86409 5.75809 7.57437 12.1819 10.7742 7.08766 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 9.86409 5.75809 7.57437 9.28235 9.90073 4.82199 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.9575 9.22398 8.16155 8.51521 9.24302 5.86379 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.9575 9.22398 8.16155 11.3635 10.7582 6.21029 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 8.89769 6.82267 7.93893 10.1108 11.9578 6.55227 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.38183 4.93944 3.80763 4.49266 8.38715 4.88514 numMergedOcc 0
8 mol 193 unq 0 iso 0 dist 6.28889 6.10013 6.18551 4.40965 10.5666 8.30069 numMergedOcc 0
9 mol 193 unq 1 iso 0 dist 6.28889 6.10013 6.18551 6.04442 11.2244 8.83551 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 9.819 7.26295 3.7326 3.64489 8.43182 5.10542 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 9.819 7.31316 7.29209 3.64489 8.43182 4.68722 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 9.819 7.31316 7.29209 9.00349 11.0347 5.18325 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.06003 5.04072 8.44353 7.27943 13.8906 7.83056 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 8.76329 5.22629 5.24709 6.44449 11.1329 7.83831 numMergedOcc 0
15 mol 233 unq 1 iso 0 dist 9.91906 5.22629 6.28883 6.44449 13.8553 7.83831 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.25097 7.99963 12.3078 9.04752 15.8342 6.09626 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.80499 4.20369 5.30506 5.76999 12.1908 7.04263 numMergedOcc 0
18 mol 284 unq 0 iso 0 dist 5.24993 6.61811 3.57807 7.60413 7.74874 5.6964 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 9.23037 8.38399 8.78384 12.0007 8.79261 5.88958 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 9.23037 8.38399 8.78384 15.0759 9.99125 7.78121 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 6.68183 8.27039 5.06937 3.77627 5.91617 8.07775 numMergedOcc 0
