0 mol 28 unq 0 iso 0 dist 9.04621 7.88348 7.43758 11.7895 9.86409 4.141 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.44081 8.72422 7.43758 11.4343 9.86409 4.141 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 6.32082 7.74348 7.6082 5.49317 6.67704 4.71264 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 6.32082 12.3417 9.24687 5.49317 6.67704 8.5755 numMergedOcc 0
4 mol 32 unq 2 iso 0 dist 6.93878 7.74348 4.09276 5.49317 6.67079 4.71264 numMergedOcc 0
5 mol 32 unq 3 iso 0 dist 5.73722 5.78755 7.65602 4.14768 6.19304 5.98304 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.36132 5.92597 9.91313 9.29368 5.67362 11.5851 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 7.41265 4.76152 9.66589 6.20826 7.28599 3.96462 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 8.14767 12.4087 9.25466 5.77655 8.9536 13.2865 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 5.29346 4.62381 8.27253 4.91693 8.05937 4.09788 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.91629 11.2112 7.46875 12.0238 5.43662 4.34786 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 7.11542 4.80648 9.19555 8.09502 9.59587 4.11186 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 6.43834 5.28726 9.19555 5.6141 9.59587 4.11186 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.34778 3.93387 6.64749 5.80123 5.77158 4.11297 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.03801 6.59916 6.64749 8.69113 5.77158 4.11297 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 7.10956 4.21724 8.54588 7.32033 7.59836 4.29967 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 7.10956 4.21724 8.54588 6.52597 9.94274 6.48822 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 6.74945 7.21778 6.64341 7.82886 8.06003 4.37504 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 6.74945 4.35022 7.31315 7.82886 8.06003 5.69801 numMergedOcc 0
19 mol 220 unq 2 iso 0 dist 5.15585 9.58458 6.64341 8.41585 8.06003 4.37504 numMergedOcc 0
20 mol 220 unq 3 iso 0 dist 5.15585 9.67051 7.31315 8.41585 8.06003 5.69801 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.94974 16.1108 7.35799 9.86876 7.10052 8.34527 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 4.54596 3.82462 7.35799 5.02303 7.10052 8.34527 numMergedOcc 0
23 mol 279 unq 2 iso 0 dist 8.32942 6.05145 7.35799 12.4162 7.10052 8.34527 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.85233 4.49811 7.40069 13.1961 9.55425 9.58852 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 7.06322 10.841 9.2899 4.59906 6.68183 7.1944 numMergedOcc 0
