0 mol 10 unq 0 iso 0 dist 5.66059 6.77258 5.59965 7.62587 9.43029 4.99208 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.99743 5.16967 5.59965 4.75564 6.18431 3.92592 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 5.99743 5.16967 5.59965 4.53345 9.07726 5.53712 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7004 6.81961 6.56527 5.21951 6.81793 4.76998 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.67118 9.54097 6.74766 12.0125 7.98985 12.5617 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 4.73362 4.72225 8.95905 6.65453 7.46095 6.6642 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.3795 8.81518 8.95905 7.15288 7.46095 6.6642 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.09041 12.4018 8.03296 9.32786 8.02443 3.81317 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 9.09041 5.71329 5.82754 9.32786 8.02443 4.08868 numMergedOcc 0
9 mol 79 unq 2 iso 0 dist 9.09041 10.427 8.87742 9.32786 8.02443 6.06691 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.03339 5.54999 7.80873 8.58795 9.26353 10.4943 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 7.38183 14.0112 6.75376 14.7556 9.27009 6.93828 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.50938 12.7855 7.32087 11.1674 9.06571 5.3698 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.50938 12.7855 7.32087 10.3533 7.35884 6.39406 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 5.25309 5.1007 9.92471 4.9387 8.06308 5.42414 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 6.65725 4.84884 7.54099 9.35176 7.81263 7.81466 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.819 14.3175 6.1886 11.023 4.19371 4.002 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 9.819 14.3175 6.1886 12.3736 9.71015 7.09553 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 5.60146 6.44798 7.95359 4.69103 6.53416 3.92686 numMergedOcc 0
19 mol 244 unq 1 iso 0 dist 5.60146 11.4169 6.22122 4.69103 6.53416 10.3324 numMergedOcc 0
20 mol 244 unq 2 iso 0 dist 9.80249 13.543 7.95359 14.2772 6.53416 3.92686 numMergedOcc 0
21 mol 244 unq 3 iso 0 dist 9.80249 12.7037 6.22122 14.2772 6.53416 10.3324 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.18174 7.37725 8.25485 4.30667 7.83214 6.56416 numMergedOcc 0
