0 mol 28 unq 0 iso 0 dist 9.32784 8.06843 8.04432 10.9344 5.75809 12.052 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 6.9327 7.61615 5.48014 9.16104 9.80946 11.743 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 6.9327 7.0851 4.83794 9.16104 9.80946 13.1502 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.1517 8.83919 7.08162 6.74214 7.55443 13.5451 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.06519 6.77802 9.58381 3.42062 7.32699 9.05737 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 7.54027 6.77802 7.61744 3.42062 6.45933 9.05737 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.12546 9.90731 12.5303 3.47529 7.05964 11.928 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 8.06502 9.06839 12.1419 9.26191 6.50622 15.6608 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.06502 9.06839 12.1419 6.42604 4.45433 13.3838 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 5.09725 6.29267 4.91617 6.02092 7.60619 4.15789 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 5.09725 9.64361 5.11766 6.02092 7.60619 12.5014 numMergedOcc 0
11 mol 96 unq 0 iso 0 dist 9.63062 9.49229 6.61961 6.0108 7.68964 11.489 numMergedOcc 0
12 mol 176 unq 0 iso 0 dist 8.36606 8.00223 6.27598 3.84631 9.95907 6.85902 numMergedOcc 0
13 mol 176 unq 1 iso 0 dist 8.36606 9.60695 4.60306 3.84631 9.95907 10.081 numMergedOcc 0
14 mol 233 unq 0 iso 0 dist 8.25961 6.45095 6.44449 6.41178 5.22629 7.83831 numMergedOcc 0
15 mol 284 unq 0 iso 0 dist 9.91812 5.2862 7.60413 5.88619 6.61811 5.6964 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 8.85872 8.15636 16.6514 3.76412 9.2144 10.5724 numMergedOcc 0
17 mol 287 unq 1 iso 0 dist 8.85872 8.15636 16.6514 5.39384 8.36585 11.983 numMergedOcc 0
18 mol 287 unq 2 iso 0 dist 8.85872 7.86292 14.7215 3.76412 9.2144 9.98932 numMergedOcc 0
19 mol 287 unq 3 iso 0 dist 8.85872 7.86292 14.7215 5.39384 8.36585 13.1856 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.85872 8.15636 16.6514 3.76412 9.2144 10.5724 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 8.85872 8.15636 16.6514 5.39384 8.36585 11.983 numMergedOcc 0
22 mol 288 unq 2 iso 0 dist 8.85872 7.86292 14.7215 3.76412 9.2144 9.98932 numMergedOcc 0
23 mol 288 unq 3 iso 0 dist 8.85872 7.86292 14.7215 5.39384 8.36585 13.1856 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.85872 8.15636 16.6514 3.76412 9.2144 10.5724 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 8.85872 8.15636 16.6514 5.39384 8.36585 11.983 numMergedOcc 0
26 mol 289 unq 2 iso 0 dist 8.85872 7.86292 14.7215 3.76412 9.2144 9.98932 numMergedOcc 0
27 mol 289 unq 3 iso 0 dist 8.85872 7.86292 14.7215 5.39384 8.36585 13.1856 numMergedOcc 0
