0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 4.30555 8.25818 13.5399 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 5.58102 13.4875 7.92856 4.77009 6.5816 13.6536 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 7.09988 12.8769 9.45682 7.96442 8.88124 17.9917 numMergedOcc 0
3 mol 107 unq 1 iso 0 dist 7.09988 12.8769 9.45682 14.3565 8.19484 11.8593 numMergedOcc 0
4 mol 107 unq 2 iso 0 dist 7.73898 14.6256 9.45682 6.37998 8.88124 17.9917 numMergedOcc 0
5 mol 107 unq 3 iso 0 dist 7.73898 14.6256 9.45682 11.5335 8.19484 11.8593 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.25771 13.2553 9.30832 6.90365 9.14336 10.2689 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 9.60192 5.0535 4.76974 7.33656 5.86379 3.98154 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 9.60192 5.0535 4.76974 10.5073 6.21029 6.61688 numMergedOcc 0
9 mol 115 unq 2 iso 0 dist 9.82655 6.47836 5.93278 10.5817 5.86379 4.18693 numMergedOcc 0
10 mol 115 unq 3 iso 0 dist 9.82655 6.47836 5.93278 13.8778 8.64686 7.41059 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.0889 5.61914 7.53694 8.14689 7.84207 3.824 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 8.0889 5.61914 7.53694 5.74365 8.56947 4.96885 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 9.32969 10.5763 9.52922 7.35757 5.10542 12.8006 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 9.84293 7.74458 8.08471 6.88195 7.38825 4.27652 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 5.84588 5.21925 8.08471 5.73959 7.38825 4.27652 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 8.42431 9.48802 4.51255 11.9686 6.80296 4.46135 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 8.42431 13.5013 6.23183 11.9686 6.80296 3.56132 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 8.70774 5.90394 7.42932 14.9564 7.98956 14.2348 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 8.70774 9.57081 4.9764 14.9564 7.98956 7.75371 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 7.73997 12.7143 7.2091 9.39306 6.53598 5.09884 numMergedOcc 0
21 mol 281 unq 0 iso 0 dist 7.5689 12.4759 7.33334 6.06807 5.33372 11.0049 numMergedOcc 0
22 mol 281 unq 1 iso 0 dist 7.5689 12.4759 7.33334 9.10512 6.56886 5.19196 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 8.06614 5.0721 4.49592 7.34358 8.07775 7.22011 numMergedOcc 0
