0 mol 26 unq 0 iso 0 dist 6.42206 9.43688 4.54484 9.08976 6.66387 9.20028 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.42206 8.64424 5.29322 9.08976 6.66387 10.851 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 8.84466 9.27407 12.7083 5.77804 12.5605 11.2152 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.2948 9.27407 7.44572 5.77804 10.878 11.2152 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 7.28774 8.6659 5.36117 9.74768 4.42043 7.52543 numMergedOcc 0
5 mol 99 unq 1 iso 0 dist 7.28774 8.4731 7.21001 9.74768 4.42043 6.93979 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.87505 7.50959 5.76927 9.02079 4.72188 6.1956 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 5.70772 7.52211 6.97601 7.9061 4.10092 10.4043 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 5.70772 7.52211 6.97601 4.48898 4.47436 5.16833 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 5.03663 7.90441 4.59451 6.36426 4.10092 6.33611 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 5.03663 7.90441 4.59451 7.06711 4.47436 8.80049 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.94464 8.99149 15.6006 7.82604 6.39513 11.4557 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.94464 8.99149 15.6006 8.22583 6.24616 15.7228 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 8.63713 8.99149 6.84793 7.82604 5.70246 11.4557 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 8.63713 8.99149 6.84793 8.22583 14.1913 15.7228 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 5.30132 8.52655 8.34289 8.2841 4.55808 10.3806 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 7.9801 9.82279 11.495 6.86439 9.92842 7.43237 numMergedOcc 0
17 mol 226 unq 1 iso 0 dist 6.17825 9.82279 10.0578 6.86439 6.25647 7.43237 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.61428 9.27557 6.21166 9.13022 8.59287 13.2336 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 8.09021 8.9413 10.5191 7.74463 5.55314 6.10503 numMergedOcc 0
