0 mol 0 unq 0 iso 0 dist 9.42137 7.31837 5.24778 11.6896 9.6994 11.2072 5.66453 6.26831 6.64713 6.34883 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.42137 7.31837 5.24778 14.5258 7.15528 11.2263 5.66453 6.26831 6.64713 9.19662 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.7522 8.99751 10.797 15.0931 8.34347 18.8417 14.6525 8.44506 11.5353 13.2876 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.7522 9.44507 10.9837 15.0931 8.34347 18.1487 14.6525 8.44506 9.5053 13.2876 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.9747 9.25249 14.3413 4.75138 5.08437 13.8815 8.89866 7.26086 16.0369 7.32662 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.9747 9.25249 14.3413 10.4417 6.48948 17.8091 8.89866 7.26086 16.0369 13.4985 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.9747 9.25249 14.3413 11.3628 6.10456 19.9118 8.89866 7.26086 16.0369 6.934 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.15985 5.42828 5.39346 6.68714 9.60462 10.1861 6.84906 8.729 9.77017 11.0629 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.15985 5.42828 5.39346 6.71889 7.45389 10.15 6.84906 8.729 9.77017 5.48848 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 6.59772 6.11741 11.0224 5.01124 5.74857 8.85881 6.08806 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 4.98864 6.66022 5.22052 10.9437 7.88312 12.13 5.01124 5.74857 8.85881 7.21418 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.44385 9.34823 10.8661 12.1192 9.87172 11.5311 9.79485 7.99857 14.7366 7.61939 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 5.63005 9.34823 12.0175 10.5268 8.73993 17.8739 9.79485 8.56342 14.7366 4.91132 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 5.63005 9.34823 12.0175 10.5268 8.73993 17.8739 6.81112 6.37542 15.9094 6.08167 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 7.04864 8.73484 8.2619 4.5543 8.75408 11.9051 4.63594 8.93905 6.03352 7.27181 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 7.04864 8.73484 8.2619 6.81949 6.44653 13.082 4.63594 8.93905 6.03352 10.5192 numMergedOcc 0
16 mol 126 unq 0 iso 0 dist 8.32241 8.97111 6.0268 4.84035 6.06638 6.30546 5.93497 9.46588 5.94233 5.5703 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 7.15815 9.69704 5.78064 4.93871 9.02271 13.07 9.82329 7.77998 8.15091 13.6942 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.73834 8.63176 5.63675 6.48867 6.60405 7.21311 10.6333 9.53063 12.3072 6.6525 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 5.73834 8.63176 5.63675 7.52881 6.42289 11.2102 10.6333 9.53063 12.3072 5.27959 numMergedOcc 0
