0 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 8.8538 12.7706 9.00543 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 13.5349 12.0375 9.00902 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 8.20567 13.6052 8.92577 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 7.3098 5.09688 5.06206 5.65432 8.67615 9.56324 numMergedOcc 0
4 mol 100 unq 2 iso 0 dist 9.90038 9.26343 5.06206 10.4985 13.6052 8.92577 numMergedOcc 0
5 mol 100 unq 3 iso 0 dist 9.90038 9.26343 5.06206 6.03516 8.67615 9.56324 numMergedOcc 0
6 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 8.9635 15.879 6.03557 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.65424 4.93035 4.93029 5.38959 10.4709 7.34465 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 7.65424 9.75558 10.28 5.38959 10.4709 9.47675 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 6.71654 4.93035 4.37081 5.38959 5.43078 7.34465 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 6.71654 9.75558 6.23566 5.38959 5.43078 9.47675 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 6.43416 6.22077 9.70376 4.44409 9.87684 8.2088 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 11.2481 10.8049 5.67917 numMergedOcc 0
13 mol 249 unq 0 iso 0 dist 8.84212 6.93507 5.0425 5.35689 6.23348 7.72708 numMergedOcc 0
14 mol 249 unq 1 iso 0 dist 7.10933 6.93507 6.45919 5.35689 9.00613 7.72708 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 8.40312 7.7309 13.0522 7.13444 14.5611 9.05762 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 9.17848 8.9413 5.3051 numMergedOcc 0
