0 mol 8 unq 0 iso 0 dist 4.92734 7.77271 4.85329 7.97177 8.53529 11.4415 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.57999 7.77271 12.9498 7.97177 7.18019 11.4415 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 8.96238 7.93388 6.28202 4.936 7.16773 5.84875 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 9.00902 9.44676 13.4281 8.07487 5.73743 14.547 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.90776 7.36397 12.219 5.47738 5.37007 10.8245 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 5.47738 5.37007 7.1539 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.05602 9.56188 15.8667 11.0132 6.65501 18.7525 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 9.19499 9.40225 7.29758 5.02458 9.44367 5.81122 numMergedOcc 0
8 mol 156 unq 1 iso 0 dist 9.19499 9.40225 7.29758 15.8724 9.47433 13.7525 numMergedOcc 0
9 mol 156 unq 2 iso 0 dist 7.11647 9.40225 8.67156 5.02458 7.90267 5.81122 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 7.47975 6.68441 6.49376 4.02361 9.17787 6.72852 numMergedOcc 0
11 mol 159 unq 1 iso 0 dist 7.47975 6.68441 6.49376 9.90351 8.4858 8.52082 numMergedOcc 0
12 mol 159 unq 2 iso 0 dist 7.47975 8.0059 6.21916 4.02361 9.17787 10.1431 numMergedOcc 0
13 mol 159 unq 3 iso 0 dist 7.47975 8.0059 6.21916 9.90351 8.4858 12.312 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 6.56225 6.2479 9.06217 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 6.56225 6.2479 7.13252 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 6.56225 6.22122 9.06217 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 6.56225 6.22122 7.13252 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.3705 9.75763 6.08211 11.3703 9.26504 14.0228 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.15806 7.70781 6.23291 5.07333 5.44002 10.5073 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 279 unq 0 iso 0 dist 5.70546 6.10834 5.34838 4.99186 7.23721 9.24367 numMergedOcc 0
