0 mol 25 unq 0 iso 0 dist 7.63928 9.78075 6.85556 14.5752 11.8565 6.69002 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.96265 12.8967 9.6782 13.222 6.07691 7.42925 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.70459 13.4256 9.6782 11.4967 6.07691 7.42925 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 7.78905 9.64095 9.6782 7.85573 6.07691 7.42925 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 9.44909 4.83412 9.6782 6.21423 6.07691 7.42925 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.20538 3.63144 7.16773 9.52763 7.91078 9.78973 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.06168 4.53047 6.02816 9.87177 4.49951 7.45801 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.67532 7.05537 6.02816 6.70925 4.49951 7.45801 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 6.18763 6.49348 8.00003 9.44788 6.83988 5.58734 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 11.6486 12.2044 9.86237 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.50322 16.7326 9.22232 15.3661 6.80292 5.80404 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 15.8299 11.2897 5.75595 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 8.25167 4.13881 6.45896 8.77869 6.71523 9.25835 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 8.79558 11.4857 6.86319 20.0057 14.9157 9.47404 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.07872 4.21811 6.02296 6.14732 13.552 8.61546 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 9.11256 3.93066 9.55668 10.1095 12.3562 6.20377 numMergedOcc 0
16 mol 235 unq 1 iso 0 dist 7.08539 13.0408 9.55668 13.871 12.3562 6.20377 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 6.37672 4.20164 5.48118 7.279 9.82483 4.68783 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 8.94023 5.93404 5.48118 8.43448 9.82483 4.68783 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.06771 5.61261 7.98231 5.98006 5.71237 9.69025 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.54857 8.74892 7.08526 17.6082 11.8501 9.69025 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 8.43858 4.29482 7.16853 13.3031 10.0289 9.14393 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 7.04833 10.7881 6.71375 6.98812 5.56416 7.49913 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 6.55855 6.70266 9.45514 13.604 12.3018 8.30714 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 6.55855 5.15747 6.39866 8.14634 10.2307 9.02661 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 9.52894 6.70266 7.1729 13.604 5.7745 8.30714 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 9.71801 4.36131 8.52587 10.9157 17.306 9.02661 numMergedOcc 0
