0 mol 7 unq 0 iso 0 dist 7.5706 6.7985 5.82034 8.43473 6.04832 6.14469 9.60499 10.5551 6.55304 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5706 6.7985 5.82034 8.43473 6.04832 6.14469 11.0773 4.87279 6.34041 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.5706 6.44736 5.28462 8.43473 6.04832 9.97009 9.60499 10.5551 12.2869 6.02702 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.5706 6.44736 5.28462 8.43473 6.04832 9.97009 11.0773 4.87279 6.61022 8.72114 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 6.28925 9.68596 5.82034 5.03847 6.04832 6.14469 10.6581 10.5551 6.55304 6.02702 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 6.28925 9.68596 5.82034 5.03847 6.04832 6.14469 10.5461 4.87279 6.34041 8.72114 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 7.47838 9.47063 7.25546 11.8617 7.2707 10.6404 11.938 5.72062 5.80476 7.32257 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 7.47838 9.47063 7.25546 11.8617 7.2707 10.6404 10.069 7.6565 5.60698 6.55811 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 7.47838 9.47063 7.25546 11.8617 7.2707 10.6404 13.6105 12.3746 10.0989 8.64915 numMergedOcc 0
9 mol 9 unq 3 iso 0 dist 7.47838 9.47063 7.25546 9.55673 8.99816 11.7718 10.069 7.6565 5.60698 7.36018 numMergedOcc 0
10 mol 9 unq 4 iso 0 dist 7.47838 9.47063 7.25546 9.55673 8.99816 11.7718 13.6105 12.3746 10.0989 8.17347 numMergedOcc 0
11 mol 9 unq 5 iso 0 dist 7.47838 9.47063 7.25546 6.96891 5.96667 10.9812 10.069 7.6565 5.60698 8.48677 numMergedOcc 0
12 mol 9 unq 6 iso 0 dist 6.79837 6.55811 9.84125 5.60698 9.36902 10.6404 10.069 6.59048 11.8617 9.47063 numMergedOcc 0
13 mol 9 unq 7 iso 0 dist 6.79837 7.36018 6.12805 5.60698 9.36902 11.7718 10.069 6.59048 9.55673 9.47063 numMergedOcc 0
14 mol 9 unq 8 iso 0 dist 6.79837 8.48677 7.26017 5.60698 9.36902 10.9812 10.069 6.59048 6.96891 9.47063 numMergedOcc 0
15 mol 9 unq 9 iso 0 dist 8.07369 8.64915 9.84125 10.0989 9.36902 10.6404 13.6105 6.59048 11.8617 9.47063 numMergedOcc 0
16 mol 9 unq 10 iso 0 dist 8.07369 8.17347 6.12805 10.0989 9.36902 11.7718 13.6105 6.59048 9.55673 9.47063 numMergedOcc 0
17 mol 9 unq 11 iso 0 dist 8.07369 7.83133 6.78475 10.0989 9.36902 14.8539 13.6105 6.59048 12.8812 9.47063 numMergedOcc 0
18 mol 15 unq 0 iso 0 dist 7.876 7.48342 6.25997 4.29582 9.41935 6.03257 9.88835 14.8121 9.75966 5.89412 numMergedOcc 0
19 mol 15 unq 1 iso 0 dist 7.876 7.48342 6.25997 4.29582 9.41935 6.03257 8.38064 5.88545 4.39605 7.07399 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 4.5985 7.80975 4.71426 5.42531 6.84692 9.5057 10.1489 8.07089 10.6848 7.01812 numMergedOcc 0
21 mol 100 unq 1 iso 0 dist 4.5985 7.80975 4.71426 5.42531 6.84692 9.5057 13.2001 12.8256 15.3454 8.30845 numMergedOcc 0
22 mol 100 unq 2 iso 0 dist 8.20656 7.10378 4.71426 8.4128 6.84692 9.5057 7.17106 8.07089 10.6848 7.01812 numMergedOcc 0
23 mol 100 unq 3 iso 0 dist 8.20656 7.10378 4.71426 8.4128 6.84692 9.5057 10.5134 12.8256 15.3454 8.30845 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.64695 9.22232 15.8925 12.538 6.49688 16.4974 13.268 5.47259 16.6599 6.16242 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 9.64695 9.22232 15.8925 12.538 6.49688 16.4974 12.6651 4.70102 19.3488 5.87634 numMergedOcc 0
26 mol 133 unq 2 iso 0 dist 9.64695 9.22661 12.4336 12.538 6.49688 16.5277 13.268 5.47259 17.8146 6.16242 numMergedOcc 0
27 mol 133 unq 3 iso 0 dist 9.64695 9.22661 12.4336 12.538 6.49688 16.5277 12.6651 4.70102 13.262 5.87634 numMergedOcc 0
28 mol 133 unq 4 iso 0 dist 9.64695 7.56378 9.98416 12.538 6.49688 15.724 13.268 5.47259 14.4607 6.16242 numMergedOcc 0
29 mol 133 unq 5 iso 0 dist 9.64695 7.56378 9.98416 12.538 6.49688 15.724 12.6651 4.70102 13.1361 5.87634 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 8.47008 5.94469 11.0205 5.63555 6.2176 10.3104 7.63312 5.83639 12.5387 5.9176 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 7.72403 9.81425 10.8078 13.8349 9.38888 20.0705 13.3467 13.1319 22.1778 7.32499 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 8.8949 7.41478 5.76833 10.6582 8.20201 10.726 18.4477 15.3739 16.4593 9.16003 numMergedOcc 0
33 mol 237 unq 1 iso 0 dist 8.8949 7.41478 5.76833 13.3834 6.21939 10.8855 14.1837 6.64982 12.2098 6.99315 numMergedOcc 0
34 mol 237 unq 2 iso 0 dist 8.8949 7.41478 5.76833 13.3834 6.21939 10.8855 19.1491 12.3471 13.5624 9.60163 numMergedOcc 0
35 mol 237 unq 3 iso 0 dist 8.8949 9.20822 10.9723 10.6582 8.20201 8.10254 18.4477 15.3739 11.1554 9.16003 numMergedOcc 0
36 mol 237 unq 4 iso 0 dist 8.8949 9.20822 10.9723 13.3834 6.21939 12.2998 14.1837 6.64982 17.0369 6.99315 numMergedOcc 0
37 mol 237 unq 5 iso 0 dist 8.8949 9.20822 10.9723 13.3834 6.21939 12.2998 19.1491 12.3471 14.1173 9.60163 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 9.82018 8.49177 5.91142 4.60101 6.83684 7.16346 13.3579 9.75887 12.0136 8.83865 numMergedOcc 0
39 mol 273 unq 1 iso 0 dist 9.82018 8.49177 5.91142 4.60101 6.83684 7.16346 13.4294 7.29345 12.1851 9.18157 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 6.92434 9.85289 4.67674 5.29529 5.0002 6.88827 7.56915 5.87456 6.20558 8.52587 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 6.92434 9.85289 4.67674 5.29529 5.0002 6.88827 11.3168 6.38211 6.16703 6.39866 numMergedOcc 0
