0 mol 69 unq 0 iso 0 dist 9.60879 4.46517 9.83836 4.5904 9.58351 8.81968 numMergedOcc 0
1 mol 69 unq 0 iso 1 dist 9.60879 4.5904 9.58351 4.46517 9.83836 8.81968 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 9.61096 7.79723 9.83836 4.63088 9.58351 8.81968 numMergedOcc 0
3 mol 69 unq 1 iso 1 dist 9.61096 4.63088 9.58351 7.79723 9.83836 8.81968 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.40871 7.4829 7.91148 8.47947 6.59794 3.24688 numMergedOcc 0
5 mol 78 unq 0 iso 1 dist 8.40871 8.47947 6.59794 7.4829 7.91148 3.24688 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 8.40871 7.4829 7.91148 5.63389 8.34957 4.60796 numMergedOcc 0
7 mol 78 unq 1 iso 1 dist 8.40871 5.63389 8.34957 7.4829 7.91148 4.60796 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 8.40871 8.47947 6.59794 5.63389 8.34957 7.19832 numMergedOcc 0
9 mol 78 unq 1 iso 1 dist 8.40871 5.63389 8.34957 8.47947 6.59794 7.19832 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.34456 16.2029 9.59585 17.3247 9.7073 9.78508 numMergedOcc 0
11 mol 113 unq 0 iso 1 dist 9.34456 17.3247 9.7073 16.2029 9.59585 9.78508 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.97244 11.3762 7.78789 10.2106 7.42146 9.77711 numMergedOcc 0
13 mol 117 unq 0 iso 1 dist 6.97244 10.2106 7.42146 11.3762 7.78789 9.77711 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 9.41521 5.79975 6.42623 12.8646 8.95899 8.68088 numMergedOcc 0
15 mol 120 unq 0 iso 1 dist 9.41521 12.8646 8.95899 5.79975 6.42623 8.68088 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 6.1421 12.077 7.97548 10.5094 9.64164 5.83342 numMergedOcc 0
17 mol 129 unq 0 iso 1 dist 6.1421 10.5094 9.64164 12.077 7.97548 5.83342 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.54663 9.45041 7.97548 5.50122 9.64164 5.83342 numMergedOcc 0
19 mol 129 unq 1 iso 1 dist 9.54663 5.50122 9.64164 9.45041 7.97548 5.83342 numMergedOcc 0
20 mol 147 unq 0 iso 0 dist 9.11046 5.76262 6.73617 4.09924 9.03544 3.6066 numMergedOcc 0
21 mol 147 unq 0 iso 1 dist 9.11046 4.09924 9.03544 5.76262 6.73617 3.6066 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 6.94983 8.26136 8.25985 4.7723 9.27788 6.61868 numMergedOcc 0
23 mol 232 unq 0 iso 1 dist 6.94983 4.7723 9.27788 8.26136 8.25985 6.61868 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 6.86014 9.69757 4.9764 10.2113 6.36559 3.41319 numMergedOcc 0
25 mol 277 unq 0 iso 1 dist 6.86014 10.2113 6.36559 9.69757 4.9764 3.41319 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 5.97073 7.55695 4.9764 6.26644 6.36559 3.41319 numMergedOcc 0
27 mol 277 unq 1 iso 1 dist 5.97073 6.26644 6.36559 7.55695 4.9764 3.41319 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 6.49176 5.00704 4.9764 5.23954 6.36559 3.41319 numMergedOcc 0
29 mol 277 unq 2 iso 1 dist 6.49176 5.23954 6.36559 5.00704 4.9764 3.41319 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 6.87804 11.4406 6.69619 10.8521 4.49592 3.75963 numMergedOcc 0
31 mol 292 unq 0 iso 1 dist 6.87804 10.8521 4.49592 11.4406 6.69619 3.75963 numMergedOcc 0
32 mol 292 unq 1 iso 0 dist 8.54692 9.43281 9.96374 5.01465 5.41432 8.12358 numMergedOcc 0
33 mol 292 unq 1 iso 1 dist 8.54692 5.01465 5.41432 9.43281 9.96374 8.12358 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 6.07571 7.86088 6.69619 4.34603 4.49592 3.75963 numMergedOcc 0
35 mol 292 unq 2 iso 1 dist 6.07571 4.34603 4.49592 7.86088 6.69619 3.75963 numMergedOcc 0
