0 mol 20 unq 0 iso 0 dist 9.14371 9.3714 9.20198 13.9972 16.5895 7.51452 16.0712 15.139 6.92904 6.03547 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 13.3998 7.29868 20.1024 15.5315 8.4051 26.9242 20.9738 14.1082 8.23446 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.13365 13.3998 7.29868 20.1024 15.5315 8.4051 22.0257 15.8209 9.62033 8.75662 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.13365 13.3998 7.29868 17.544 10.0952 8.60554 21.5064 16.1126 14.1496 8.44664 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.13365 13.3998 7.29868 17.544 10.0952 8.60554 22.0257 15.8209 9.62033 9.44691 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.80849 14.1707 8.60554 17.5377 14.6259 8.4051 18.9228 17.6854 14.1082 8.23446 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.80849 14.1707 8.60554 17.5377 14.6259 8.4051 9.47767 9.44691 9.62033 8.75662 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.80849 14.1707 8.60554 16.8105 10.0952 7.29868 18.6042 13.4393 6.16544 9.01567 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.80849 14.1707 8.60554 16.8105 10.0952 7.29868 18.2805 12.9284 10.2653 7.33768 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 6.80849 9.47767 9.44691 17.5377 14.6259 8.75662 14.1707 8.60554 9.62033 8.4051 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 6.80849 9.47767 9.44691 17.5377 14.6259 8.75662 18.9228 17.6854 11.342 8.23446 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 6.00307 6.03478 6.16347 13.1745 10.9391 7.45383 15.9213 13.8469 12.6805 9.01548 numMergedOcc 0
12 mol 65 unq 0 iso 0 dist 9.75927 4.37601 6.72639 10.5352 5.48814 6.76508 9.13935 9.34791 5.56801 8.22785 numMergedOcc 0
13 mol 65 unq 1 iso 0 dist 9.75927 9.13935 9.34791 10.5352 5.48814 8.22785 4.37601 6.72639 5.56801 6.76508 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 9.50809 6.27909 7.47069 15.003 9.34412 9.08382 9.80137 11.1764 4.38093 8.76789 numMergedOcc 0
15 mol 125 unq 1 iso 0 dist 9.50809 6.27909 7.47069 15.14 11.8325 9.3778 9.80137 11.1764 4.38093 7.73435 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 7.94863 8.93581 7.96646 15.8208 10.7116 7.90048 19.6714 17.6058 12.2217 9.99802 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.43406 11.4522 9.39829 13.9818 8.85576 6.41453 15.5511 10.4943 9.53592 5.9176 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 7.51923 8.91883 7.75885 7.94694 5.63422 6.16414 8.83227 11.4872 6.46458 7.33701 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 7.51923 8.91883 7.75885 7.94694 5.63422 6.16414 10.6714 13.2041 9.9892 8.0871 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 8.48081 12.2528 8.14332 7.22234 5.45334 7.73322 6.51731 11.8877 13.2902 7.37798 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.84872 9.6662 9.55668 14.8579 9.89669 6.95126 19.7078 16.0017 10.2834 6.21292 numMergedOcc 0
