0 mol 10 unq 0 iso 0 dist 9.29504 12.2819 5.8369 18.836 12.6548 7.30932 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.78153 12.5246 8.06428 16.1453 9.80689 7.30932 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.33947 6.37369 5.68794 14.3372 6.40908 9.48195 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.33947 6.37369 5.68794 13.3621 9.33491 7.07773 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.34861 6.37369 8.9964 14.3372 9.41024 9.48195 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 9.34861 6.37369 8.9964 13.3621 13.4367 7.07773 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 5.52834 10.1829 9.39402 11.4805 9.38166 9.09778 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.53081 15.1442 7.90416 20.0011 13.3375 7.32699 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.53081 15.1442 7.90416 16.6074 8.95658 6.45933 numMergedOcc 0
9 mol 63 unq 0 iso 0 dist 6.49343 4.44607 6.42443 11.1547 13.3969 9.18651 numMergedOcc 0
10 mol 63 unq 1 iso 0 dist 9.78739 12.0704 6.42443 21.1332 13.3969 9.18651 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.86325 7.38398 7.50229 8.08277 5.42987 4.45433 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 7.1859 4.4529 7.33426 9.78643 8.01024 6.54699 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 9.96635 12.6695 9.98554 16.4482 13.1628 5.78626 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 9.96635 12.6695 9.98554 17.3766 8.64986 9.8417 numMergedOcc 0
15 mol 165 unq 0 iso 0 dist 9.8755 14.2934 8.00005 17.9931 8.39667 7.55302 numMergedOcc 0
16 mol 165 unq 1 iso 0 dist 7.21397 6.22764 8.00005 10.56 8.39667 7.55302 numMergedOcc 0
17 mol 165 unq 2 iso 0 dist 8.46714 7.58478 8.00005 13.4861 8.39667 7.55302 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 8.27913 11.1857 7.52751 18.4847 10.8127 9.91132 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 8.85111 5.07242 7.52751 13.1015 10.8127 9.91132 numMergedOcc 0
20 mol 182 unq 2 iso 0 dist 6.38335 5.36021 7.52751 10.0965 10.8127 9.91132 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 9.52029 16.0878 8.98633 14.5499 7.8719 5.8294 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.26312 10.9985 5.4687 20.1207 13.9377 9.29322 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 7.58554 10.9079 5.4687 19.6097 13.9377 9.29322 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 6.45473 6.51471 9.49634 9.75158 6.06375 8.3597 numMergedOcc 0
25 mol 265 unq 0 iso 0 dist 7.52632 10.5232 6.04835 10.8833 4.85294 7.7096 numMergedOcc 0
26 mol 268 unq 0 iso 0 dist 5.94741 5.39453 5.49906 7.78717 6.12497 5.01283 numMergedOcc 0
