0 mol 7 unq 0 iso 0 dist 9.8603 13.8384 5.72491 15.8072 8.72114 10.1959 11.4767 6.34041 11.024 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 9.93406 7.32257 8.88528 13.6879 8.50424 8.076 7.35972 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.11056 5.36722 6.72502 11.095 8.60554 6.99746 16.6031 14.012 11.5841 6.72323 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.40051 13.0772 6.90155 4.32173 6.16347 11.0508 8.78181 6.08585 12.7162 6.25843 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.6396 13.3963 6.6492 4.32173 7.45383 11.7817 8.78181 5.77929 11.4352 6.25843 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.6396 13.3963 6.6492 16.0077 9.01548 9.12941 8.78181 5.77929 11.4352 8.88938 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 9.96265 8.17152 7.52117 12.8967 9.6782 5.1728 12.7039 4.55437 7.03307 7.48846 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 9.70459 10.0357 7.52117 13.4256 9.6782 5.1728 13.31 4.55437 7.03307 7.48846 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 7.78905 7.37043 7.52117 9.64095 9.6782 5.1728 10.53 4.55437 7.03307 7.48846 numMergedOcc 0
9 mol 44 unq 3 iso 0 dist 9.44909 6.36853 7.52117 4.83412 9.6782 5.1728 9.45566 4.55437 7.03307 7.48846 numMergedOcc 0
10 mol 65 unq 0 iso 0 dist 8.76461 9.11969 9.14931 6.59475 6.72639 9.35965 5.83149 5.51708 11.606 5.94206 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 4.00923 7.52354 5.8102 13.887 14.3301 10.9559 9.91054 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.9747 8.89866 7.26086 7.43001 6.65501 11.2092 10.9995 7.06961 8.43352 6.88901 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 4.50572 7.87523 7.26086 9.5305 6.65501 11.2092 11.1541 7.06961 8.43352 6.88901 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 6.40546 6.00304 6.98934 5.73999 8.99399 8.28905 8.4733 7.45148 11.9591 7.20249 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 6.40546 6.64646 7.99623 5.73999 8.99399 4.99495 8.4733 7.45148 9.9151 7.20249 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 8.25167 5.49559 8.00506 4.13881 6.45896 4.56165 12.2828 4.38317 10.5082 9.7361 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 9.90531 7.32981 7.24199 11.0516 8.77999 3.86183 17.1417 12.717 10.3117 6.60053 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 9.90531 7.32981 7.24199 11.0516 8.77999 3.86183 18.5257 14.8459 12.6156 9.36796 numMergedOcc 0
