0 mol 14 unq 0 iso 0 dist 9.42142 8.13983 7.00835 5.63648 8.39221 6.38364 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 5.48395 5.84479 6.31718 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.70814 7.7978 6.34264 6.8958 6.48625 7.17396 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.58384 9.55751 6.34264 5.85228 6.48625 7.17396 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 4.90701 9.62468 6.72123 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 4.69583 6.89722 6.19304 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 4.69583 7.26679 6.19304 numMergedOcc 0
7 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 4.50603 8.77773 6.57035 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 7.66832 8.73648 5.5332 9.47324 8.21889 7.34473 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 7.66832 8.73648 5.5332 4.93112 9.74643 8.58044 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 7.66832 8.73648 5.5332 4.48038 6.86702 9.97763 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 4.84607 8.84018 6.5107 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 6.23615 5.82404 7.96098 4.64588 6.11955 6.80239 numMergedOcc 0
13 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 6.54937 8.44989 9.62337 numMergedOcc 0
14 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 6.91082 8.44989 9.62337 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 12.0816 5.89084 9.45496 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 9.36753 7.86368 6.16697 6.94762 8.47009 6.7625 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.91921 6.2365 6.62361 4.7157 9.31417 5.72887 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 8.20243 6.2365 5.96552 4.7157 5.56719 5.72887 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 8.15897 9.18476 4.86437 9.87799 9.72526 7.4631 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 6.64729 6.77279 8.13497 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 5.98006 8.06771 5.71237 9.79538 9.58006 7.88519 numMergedOcc 0
