0 mol 4 unq 0 iso 0 dist 4.88114 6.12485 9.84838 6.50919 8.35272 11.6742 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 4.88114 9.04027 7.03689 6.50919 8.35272 14.7891 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 7.15734 8.88048 13.8842 10.5844 8.19185 19.1045 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 8.99402 9.78153 17.1926 4.84364 6.68744 13.783 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 9.79426 8.75001 12.053 10.2789 8.92491 17.4083 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 6.72231 8.6232 5.10048 5.25936 9.23319 12.9338 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.01454 9.53081 5.41488 15.1442 9.77004 7.90416 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.01454 9.53081 5.41488 4.89976 8.36323 9.74553 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 4.77556 5.28331 7.01987 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.72803 8.2575 5.87382 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.6582 9.23104 12.4825 14.8338 6.30568 15.6275 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 5.12189 9.2759 10.8516 4.70163 8.65133 12.5973 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 8.2197 7.21397 10.5947 4.89071 5.03758 10.5145 numMergedOcc 0
13 mol 165 unq 1 iso 0 dist 8.2197 7.21397 10.5947 6.22764 4.63353 8.00005 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.94142 8.46819 8.05438 8.10448 6.7279 10.1341 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 8.71944 8.82663 5.45067 4.93894 8.32306 5.95109 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 8.32339 7.80866 9.04147 numMergedOcc 0
17 mol 249 unq 1 iso 0 dist 7.58833 8.00386 10.9665 8.32339 7.80866 15.1455 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.57305 6.33567 5.00751 9.52365 9.30975 12.0601 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.91916 8.54422 6.40534 15.0418 8.75224 13.5114 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 8.91916 7.67473 9.57286 15.0418 8.75224 14.9515 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 8.61786 8.8646 9.94141 6.09382 9.92035 12.4167 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 13.6904 9.48076 14.9391 numMergedOcc 0
