0 mol 18 unq 0 iso 0 dist 6.39243 8.95294 7.04695 4.95319 5.65084 5.04478 14.2239 15.3722 8.80193 11.0746 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 9.1715 7.19022 7.04695 6.19959 5.65084 5.04478 9.66486 15.3722 8.80193 11.0746 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 9.17045 7.62709 7.39653 6.3858 5.94756 5.81001 7.29857 9.49841 5.55096 4.06745 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.96238 7.93388 6.28202 12.9131 9.03564 13.0532 4.936 7.16773 5.84875 9.76482 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.90776 7.36397 12.219 5.30951 7.13008 12.1198 4.665 9.71168 6.72712 6.83812 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 5.90776 6.58062 9.97281 5.30951 7.13008 10.8197 5.47738 5.37007 7.1539 6.26082 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 5.90776 6.58062 9.97281 5.30951 7.13008 10.8197 4.665 9.71168 5.39745 6.83812 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 9.62866 7.81181 6.95201 6.76872 5.7144 5.51885 7.62766 9.39063 5.79343 4.08391 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.97043 8.77794 10.8292 7.34308 6.39384 12.9982 5.16645 11.0224 5.60389 10.1538 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 7.47975 6.68441 6.49376 7.21999 9.36259 12.0832 4.02361 9.17787 6.72852 7.91903 numMergedOcc 0
10 mol 159 unq 1 iso 0 dist 7.47975 6.68441 6.49376 7.21999 9.36259 12.0832 9.90351 8.4858 8.52082 9.65034 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 11.9701 9.76212 14.5897 6.56225 6.2479 9.06217 6.39406 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 11.9701 9.76212 12.3788 6.56225 6.2479 7.13252 6.39406 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 11.9701 8.59874 14.5897 6.56225 6.22122 9.06217 6.39406 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 11.9701 8.59874 12.3788 6.56225 6.22122 7.13252 6.39406 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 8.3705 9.75763 6.08211 4.29894 9.03441 12.3988 6.45756 11.9628 9.82588 9.83517 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 8.96639 7.90344 10.2681 9.54858 8.82351 15.4301 5.11183 10.1217 8.90076 9.10695 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.96639 7.90344 10.2681 9.54858 8.82351 15.4301 6.32646 13.492 6.62002 14.6929 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 8.68797 8.50767 7.69081 5.03816 6.35028 6.0283 14.2536 13.337 9.24367 9.85432 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 5.70546 6.10834 5.34838 6.39046 7.24366 11.0415 4.99186 7.23721 9.24367 4.05042 numMergedOcc 0
