0 mol 16 unq 0 iso 0 dist 6.04965 6.20183 6.29703 10.7158 5.39064 7.65729 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.75381 5.48497 8.47315 9.51752 5.40044 7.72142 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 5.79411 6.82817 9.01767 15.2753 13.9809 9.61113 numMergedOcc 0
3 mol 102 unq 1 iso 0 dist 5.79411 6.82817 9.01767 7.58293 5.09542 7.73836 numMergedOcc 0
4 mol 102 unq 2 iso 0 dist 5.79411 10.6581 9.80678 15.2753 13.9809 7.59973 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.91231 12.5962 7.25166 5.09285 4.24853 8.592 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.98848 14.6332 9.85576 13.9732 5.21051 8.30003 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 6.44766 9.91056 8.97145 8.91629 5.29825 5.50364 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 6.44766 4.56884 6.5874 8.91629 5.29825 8.7301 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 9.33638 13.5629 8.49704 11.6107 5.68711 5.69733 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 6.9028 10.0531 8.48112 15.8702 16.2851 7.96759 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 6.9028 10.0531 8.48112 14.1652 10.3576 8.94384 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 7.23901 5.63117 8.48112 10.9987 16.2851 7.96759 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 7.23901 5.63117 8.48112 13.2164 10.3576 8.94384 numMergedOcc 0
14 mol 220 unq 4 iso 0 dist 9.05754 11.6352 7.31105 13.6501 9.20027 4.3362 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.94587 15.1802 9.75174 15.5262 6.53984 6.32593 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.73858 11.2409 6.37342 12.9987 4.77446 4.21935 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.0157 10.0482 5.78121 14.0205 6.47697 5.66519 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 9.14351 10.0482 7.29898 14.0205 8.68833 5.66519 numMergedOcc 0
19 mol 249 unq 2 iso 0 dist 9.14351 14.5045 8.91685 14.0205 8.68833 6.50067 numMergedOcc 0
20 mol 257 unq 0 iso 0 dist 8.99981 5.42185 4.97263 9.72106 6.75122 5.65496 numMergedOcc 0
21 mol 257 unq 1 iso 0 dist 6.50405 5.42185 5.36776 9.72106 5.99362 5.65496 numMergedOcc 0
22 mol 276 unq 0 iso 0 dist 6.97104 12.6916 9.05218 14.6903 9.58401 7.35537 numMergedOcc 0
23 mol 276 unq 1 iso 0 dist 8.63281 11.5683 9.05218 13.4701 9.58401 7.35537 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 6.86014 9.93994 6.90434 17.4444 16.2915 9.42812 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 5.97073 9.83255 6.90434 18.3037 16.2915 9.42812 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 8.23147 11.3539 9.02914 20.3254 17.0927 9.42812 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 6.49176 11.3539 6.90434 20.3254 16.2915 9.42812 numMergedOcc 0
28 mol 277 unq 4 iso 0 dist 5.22392 14.247 9.98528 11.7544 7.0797 7.98871 numMergedOcc 0
29 mol 277 unq 5 iso 0 dist 8.20217 13.4481 9.02914 20.7562 17.0927 9.42812 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 9.60619 6.56932 8.13489 9.65416 5.31331 8.66917 numMergedOcc 0
31 mol 294 unq 0 iso 0 dist 8.86937 8.7019 9.37818 14.2432 8.71227 7.86768 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 8.98536 10.8231 9.37818 15.4049 8.71227 7.86768 numMergedOcc 0
