0 mol 21 unq 0 iso 0 dist 6.93185 8.37543 6.61889 4.20216 5.63735 7.86022 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 6.93185 8.37543 6.61889 4.28381 6.28263 4.32991 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.61977 6.02974 8.84113 7.09057 5.96231 4.78497 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 6.05495 11.7663 9.35279 7.2898 5.05893 9.75167 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 6.05495 11.7663 9.35279 4.13305 5.71866 10.8439 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.0652 12.1513 8.95014 4.22932 7.81446 10.3433 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.0652 12.1513 8.95014 6.13211 6.55173 8.59989 numMergedOcc 0
7 mol 105 unq 0 iso 0 dist 5.03173 7.03541 6.50724 4.67929 7.77089 11.1088 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.93279 8.69502 7.20601 5.58312 7.83568 4.20094 numMergedOcc 0
9 mol 135 unq 0 iso 0 dist 7.12936 5.42566 7.83735 7.43379 7.17599 11.796 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 5.97685 5.3049 6.2176 4.48306 8.12266 7.11838 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 5.97685 5.3049 6.2176 10.2172 9.43306 5.42919 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 5.97685 5.3049 6.2176 10.9122 8.59681 6.20414 numMergedOcc 0
13 mol 181 unq 3 iso 0 dist 8.9289 10.8044 6.2176 4.88823 8.12266 7.11838 numMergedOcc 0
14 mol 181 unq 4 iso 0 dist 8.9289 10.8044 6.2176 14.2334 9.43306 5.42919 numMergedOcc 0
15 mol 181 unq 5 iso 0 dist 8.9289 10.8044 6.2176 16.1796 8.59681 6.20414 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.3402 14.2191 5.67863 6.72001 9.00322 14.0502 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 7.43663 10.0213 9.38888 11.8229 7.77911 4.76962 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 7.94068 5.16504 9.38888 6.45373 7.77911 4.76962 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 8.68913 10.5685 6.83684 8.0478 7.85836 6.91408 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 8.68913 10.5685 6.83684 10.9311 6.35532 4.04219 numMergedOcc 0
