0 mol 63 unq 0 iso 0 dist 9.3844 7.76044 4.26696 6.11728 11.511 7.89201 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.79412 6.98876 9.41527 6.08419 14.2839 6.97361 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 8.65822 6.98876 8.14333 6.08419 13.1405 6.97361 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 8.69068 8.84888 14.2308 15.0248 22.5467 9.82453 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 8.89997 8.49918 5.53105 7.15661 9.62124 6.46069 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 8.36172 7.67702 11.3462 9.62408 15.8989 6.70591 numMergedOcc 0
6 mol 110 unq 1 iso 0 dist 8.36172 7.67702 11.3462 10.5488 16.3799 5.43052 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 7.25497 6.36344 4.10446 4.99882 8.71274 7.97266 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.03774 6.77889 6.87651 4.26345 10.8305 8.89412 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.59311 9.18505 13.9116 6.45157 11.6694 8.63817 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.22456 9.18505 15.5016 6.45157 15.667 8.63817 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.7232 9.18505 4.70999 6.45157 7.12336 8.63817 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 7.09776 9.20848 3.75614 6.34974 7.50665 6.56262 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.61428 5.59164 4.34203 6.16765 13.3705 9.46728 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 8.92585 6.86905 14.946 8.46302 16.4855 8.20243 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 8.93002 8.87598 5.30516 6.00285 9.05363 5.45793 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 6.83706 8.13376 4.77489 11.3955 5.30455 7.97113 numMergedOcc 0
17 mol 259 unq 2 iso 0 dist 6.83706 8.13376 4.77489 9.8442 6.8184 8.38479 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 6.98451 5.14122 4.86847 9.76011 11.4903 6.98812 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 8.74181 5.02677 8.04862 8.9836 12.3722 6.42303 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 8.74181 7.6859 14.4859 11.4279 19.1865 5.27236 numMergedOcc 0
21 mol 294 unq 2 iso 0 dist 8.96987 5.02677 11.4159 8.9836 15.7257 6.42303 numMergedOcc 0
22 mol 294 unq 3 iso 0 dist 8.96987 7.6859 11.2968 11.4279 16.5245 5.27236 numMergedOcc 0
