0 mol 7 unq 0 iso 0 dist 7.5706 6.7985 5.82034 6.44736 5.28462 6.14349 9.0379 6.28925 9.68596 10.7018 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.79837 6.55811 9.84125 7.36018 6.12805 5.43306 6.14147 11.7893 7.32257 11.0167 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.79837 6.55811 9.84125 7.36018 6.12805 5.43306 5.06358 8.07369 8.64915 8.17347 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 6.79837 6.55811 9.84125 8.48677 7.26017 6.17866 6.14147 11.7893 7.32257 10.0547 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 6.79837 6.55811 9.84125 8.48677 7.26017 6.17866 5.06358 8.07369 8.64915 11.3467 numMergedOcc 0
5 mol 9 unq 4 iso 0 dist 6.79837 7.36018 6.12805 6.55811 9.84125 5.43306 5.06358 8.07369 8.17347 8.64915 numMergedOcc 0
6 mol 9 unq 5 iso 0 dist 6.79837 7.36018 6.12805 8.48677 7.26017 4.41171 5.06358 8.07369 8.17347 11.3467 numMergedOcc 0
7 mol 9 unq 6 iso 0 dist 8.07369 8.64915 9.84125 8.17347 6.12805 5.43306 10.5747 11.7893 7.32257 11.0167 numMergedOcc 0
8 mol 9 unq 7 iso 0 dist 8.07369 8.64915 9.84125 8.17347 6.12805 5.43306 5.06358 6.79837 6.55811 7.36018 numMergedOcc 0
9 mol 9 unq 8 iso 0 dist 8.07369 8.64915 9.84125 7.83133 6.78475 11.3401 10.5747 11.7893 7.32257 15.8978 numMergedOcc 0
10 mol 9 unq 9 iso 0 dist 8.07369 8.64915 9.84125 7.83133 6.78475 11.3401 5.06358 6.79837 6.55811 10.2602 numMergedOcc 0
11 mol 9 unq 10 iso 0 dist 8.07369 8.17347 6.12805 8.64915 9.84125 5.43306 5.06358 6.79837 7.36018 6.55811 numMergedOcc 0
12 mol 9 unq 11 iso 0 dist 8.07369 8.17347 6.12805 7.83133 6.78475 6.8386 5.06358 6.79837 7.36018 10.2602 numMergedOcc 0
13 mol 20 unq 0 iso 0 dist 9.8099 7.51452 5.095 6.03547 11.0764 6.92904 16.5895 9.67192 9.20198 15.139 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 9.61998 7.29868 14.5906 7.33768 4.86245 10.2653 15.5315 21.6341 8.4051 16.8439 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 9.61998 7.29868 14.5906 7.33768 4.86245 10.2653 10.0952 15.8896 8.60554 12.9284 numMergedOcc 0
16 mol 24 unq 2 iso 0 dist 9.61998 7.29868 14.5906 9.01567 12.4877 6.16544 15.5315 21.6341 8.4051 9.83002 numMergedOcc 0
17 mol 24 unq 3 iso 0 dist 9.61998 7.29868 14.5906 9.01567 12.4877 6.16544 10.0952 15.8896 8.60554 13.4393 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 7.48658 8.18107 10.5097 5.9465 6.60364 9.38827 5.04493 11.6447 9.8859 6.97962 numMergedOcc 0
19 mol 92 unq 1 iso 0 dist 7.48658 5.9465 6.60364 8.18107 10.5097 9.38827 5.04493 11.6447 6.97962 9.8859 numMergedOcc 0
20 mol 92 unq 2 iso 0 dist 7.48658 5.9465 6.60364 8.18107 10.5097 9.38827 9.35561 7.20279 9.95342 16.0825 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 6.69217 6.52773 7.03042 9.23858 10.0127 12.3703 4.85907 11.3244 9.11344 12.7677 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 9.48574 6.35982 10.5942 7.51126 5.6109 6.24983 6.52462 15.9635 9.10511 13.0689 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 6.42016 7.36683 10.9989 6.95086 6.66806 9.90317 10.7531 16.8879 9.26504 14.0524 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 5.52084 6.16414 9.78738 7.33701 7.21306 6.46458 5.63422 11.0438 7.75885 11.4872 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 5.52084 6.16414 9.78738 8.0871 4.91529 9.9892 5.63422 11.0438 7.75885 13.2041 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 8.29133 7.73322 4.14961 7.37798 14.6555 13.2902 5.45334 8.96646 8.14332 11.8877 numMergedOcc 0
