0 mol 83 unq 0 iso 0 dist 6.69262 8.5715 7.09118 10.6239 5.9281 10.3761 numMergedOcc 0
1 mol 111 unq 0 iso 0 dist 8.52122 11.508 6.63857 9.37497 4.72339 5.39108 numMergedOcc 0
2 mol 111 unq 1 iso 0 dist 8.52122 11.508 6.63857 4.38642 6.48902 7.4253 numMergedOcc 0
3 mol 111 unq 2 iso 0 dist 8.52122 11.508 6.63857 9.20246 7.21505 13.201 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.2746 10.9551 8.81779 6.94754 7.62197 13.139 numMergedOcc 0
5 mol 158 unq 0 iso 0 dist 8.15524 8.44698 9.38045 10.7405 8.06621 10.2577 numMergedOcc 0
6 mol 159 unq 0 iso 0 dist 9.81782 7.16321 9.37298 4.86107 8.12238 4.31404 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 8.76723 5.10615 6.08508 8.08252 7.61231 4.12949 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 7.60057 12.6293 9.04642 9.03379 9.19506 16.5799 numMergedOcc 0
9 mol 182 unq 1 iso 0 dist 7.60057 12.6293 9.04642 10.1184 9.94904 11.3731 numMergedOcc 0
10 mol 182 unq 2 iso 0 dist 7.60057 12.6293 9.04642 9.8017 9.30893 5.85967 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.84316 8.78411 7.9637 4.52436 7.88501 5.18849 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 6.84316 8.78411 7.9637 5.94727 9.09585 10.0163 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.01082 9.78143 6.61806 9.97098 5.19567 5.73483 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 8.01082 6.68457 7.85966 9.97098 5.19567 12.2139 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 9.03723 7.37963 7.74885 10.7675 7.83105 9.09582 numMergedOcc 0
16 mol 230 unq 1 iso 0 dist 9.03723 7.37963 7.74885 5.25305 5.63025 3.83847 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 9.3946 5.73912 8.48604 3.83464 6.19029 4.62296 numMergedOcc 0
