0 mol 62 unq 0 iso 0 dist 8.30291 6.0827 6.8858 5.4275 9.81276 4.46067 5.48283 5.68906 3.73834 7.16844 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.74289 6.82511 10.6721 3.97203 13.5465 7.7485 10.1526 15.5174 7.18877 8.71074 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.36475 5.61831 3.69293 5.5308 10.985 7.66068 5.65006 6.77898 3.35924 5.45099 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.36475 5.61831 3.69293 10.5881 12.8435 9.5043 5.65006 6.77898 3.35924 8.44765 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 7.36475 5.61831 3.69293 9.74852 10.6942 8.34132 5.65006 6.77898 3.35924 9.06643 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.14057 7.30934 10.6242 4.3421 11.3564 5.24346 7.15918 6.49362 5.4118 7.62463 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.34456 9.27028 5.37655 16.2029 9.59585 7.02358 12.1666 5.70579 3.52445 4.30875 numMergedOcc 0
7 mol 123 unq 0 iso 0 dist 7.89237 7.04627 7.75915 8.90549 11.214 8.03692 12.0877 15.0899 10.3919 4.14492 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 9.03233 5.24882 10.9086 6.03327 14.0526 4.3855 10.8829 15.9747 5.94217 6.60366 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 7.53748 8.47439 4.07587 4.18108 5.6125 5.28353 8.65328 9.87321 10.919 7.0961 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 7.53748 8.47439 4.07587 4.18108 5.6125 5.28353 11.2284 10.7557 6.91388 8.21227 numMergedOcc 0
11 mol 168 unq 2 iso 0 dist 7.53748 8.47439 4.07587 4.18108 5.6125 5.28353 5.69346 5.16335 6.65321 6.53038 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 8.19458 8.35328 15.2258 6.56644 14.4361 4.55853 7.42359 11.8376 7.66826 9.53137 numMergedOcc 0
13 mol 243 unq 1 iso 0 dist 9.45133 8.35328 13.9912 6.56644 14.2282 4.55853 7.42359 12.0468 7.66826 9.53137 numMergedOcc 0
14 mol 277 unq 0 iso 0 dist 6.86014 7.34927 7.75371 9.69757 4.9764 7.98956 8.20902 3.97543 10.5214 5.13533 numMergedOcc 0
15 mol 277 unq 1 iso 0 dist 5.97073 7.54315 7.75371 7.55695 4.9764 7.98956 9.55813 3.97543 10.5214 5.13533 numMergedOcc 0
