0 mol 18 unq 0 iso 0 dist 6.39243 8.95294 7.04695 14.2239 15.3722 8.80193 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 9.1715 7.19022 7.04695 9.66486 15.3722 8.80193 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 7.29857 9.49841 5.55096 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.54183 8.41365 10.1332 5.01159 10.4158 6.30987 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.96238 7.93388 6.28202 4.936 7.16773 5.84875 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 5.90776 7.36397 12.219 4.665 9.71168 6.72712 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 5.47738 5.37007 7.1539 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 5.90776 6.58062 9.97281 4.665 9.71168 5.39745 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.62866 7.81181 6.95201 7.62766 9.39063 5.79343 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 5.16645 11.0224 5.60389 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 5.02458 9.44367 5.81122 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 7.11647 9.40225 8.67156 5.02458 7.90267 5.81122 numMergedOcc 0
12 mol 156 unq 2 iso 0 dist 7.98018 4.94012 4.53931 6.29145 10.3379 5.81122 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 7.47975 6.68441 6.49376 4.02361 9.17787 6.72852 numMergedOcc 0
14 mol 159 unq 1 iso 0 dist 7.47975 6.68441 6.49376 9.90351 8.4858 8.52082 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 6.56225 6.2479 9.06217 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 6.56225 6.2479 7.13252 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 6.56225 6.22122 9.06217 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 6.56225 6.22122 7.13252 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 8.3705 9.75763 6.08211 6.45756 11.9628 9.82588 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.89211 6.37335 8.78722 7.46856 8.50102 7.17337 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 5.67917 7.90344 5.11565 5.11183 7.57812 8.90076 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 5.67917 7.90344 5.11565 6.32646 8.69104 6.62002 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 8.96639 7.90344 10.2681 5.11183 10.1217 8.90076 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 8.96639 7.90344 10.2681 6.32646 13.492 6.62002 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 7.20244 6.19514 7.10564 13.5391 14.4697 8.09718 numMergedOcc 0
26 mol 238 unq 5 iso 0 dist 7.20244 6.19514 7.10564 9.75263 13.6719 6.73446 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.68797 8.50767 7.69081 14.2536 13.337 9.24367 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 5.70546 6.10834 5.34838 4.99186 7.23721 9.24367 numMergedOcc 0
