0 mol 18 unq 0 iso 0 dist 7.63261 9.00899 10.8265 5.03451 10.7484 10.3665 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.63261 7.826 13.2709 5.03451 10.7484 3.17053 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 8.91798 7.41235 4.03579 9.75252 7.94369 4.77763 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 8.91798 7.41235 4.03579 5.27118 6.68853 3.21417 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 8.91798 9.00377 10.7986 9.75252 7.94369 7.38657 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 8.91798 9.00377 10.7986 5.27118 6.68853 4.96577 numMergedOcc 0
6 mol 27 unq 4 iso 0 dist 8.67055 9.40953 8.72739 8.16102 10.3125 3.21417 numMergedOcc 0
7 mol 27 unq 5 iso 0 dist 8.67055 9.57896 13.896 8.16102 10.3125 4.96577 numMergedOcc 0
8 mol 27 unq 6 iso 0 dist 8.54422 7.41235 5.02694 9.75252 9.72913 4.77763 numMergedOcc 0
9 mol 27 unq 7 iso 0 dist 8.54422 7.41235 5.02694 5.27118 6.2181 3.21417 numMergedOcc 0
10 mol 27 unq 8 iso 0 dist 8.54422 9.00377 9.03463 9.75252 9.72913 7.38657 numMergedOcc 0
11 mol 27 unq 9 iso 0 dist 8.54422 9.00377 9.03463 5.27118 6.2181 4.96577 numMergedOcc 0
12 mol 27 unq 10 iso 0 dist 6.25236 9.40953 5.02694 8.16102 6.2181 3.21417 numMergedOcc 0
13 mol 27 unq 11 iso 0 dist 6.25236 9.57896 9.03463 8.16102 6.2181 4.96577 numMergedOcc 0
14 mol 46 unq 0 iso 0 dist 8.99557 9.72136 8.55766 9.942 6.54685 3.7765 numMergedOcc 0
15 mol 46 unq 1 iso 0 dist 8.99557 9.72136 8.55766 5.92771 11.9936 13.4768 numMergedOcc 0
16 mol 46 unq 2 iso 0 dist 8.99557 4.61355 5.91159 9.942 6.54685 9.44812 numMergedOcc 0
17 mol 46 unq 3 iso 0 dist 8.99557 4.61355 5.91159 5.92771 11.9936 6.08836 numMergedOcc 0
18 mol 83 unq 0 iso 0 dist 9.56049 6.61587 8.60969 6.72584 9.78009 3.31218 numMergedOcc 0
19 mol 83 unq 1 iso 0 dist 9.56049 6.61587 8.60969 7.25594 4.4399 5.74818 numMergedOcc 0
20 mol 83 unq 2 iso 0 dist 9.56049 8.24464 10.3226 6.72584 9.78009 9.11262 numMergedOcc 0
21 mol 83 unq 3 iso 0 dist 9.56049 8.24464 10.3226 7.25594 4.4399 9.84043 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 8.54807 9.05612 8.55456 9.64287 4.56119 5.38692 numMergedOcc 0
23 mol 103 unq 0 iso 0 dist 8.60361 9.43076 11.4521 7.85115 8.11883 14.3087 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 9.9065 6.93938 3.82552 7.87345 13.5745 12.3755 numMergedOcc 0
25 mol 112 unq 1 iso 0 dist 9.9065 6.93938 3.82552 9.01196 3.79749 5.70307 numMergedOcc 0
26 mol 123 unq 0 iso 0 dist 8.64091 8.18122 7.34791 9.85144 9.99182 3.3389 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 8.75007 7.09831 3.75291 7.84085 8.87194 5.87276 numMergedOcc 0
28 mol 148 unq 0 iso 0 dist 8.6499 9.8506 13.5761 7.91749 15.1552 13.5156 numMergedOcc 0
29 mol 150 unq 0 iso 0 dist 8.75339 9.91991 13.6344 7.96309 15.2935 13.6094 numMergedOcc 0
30 mol 167 unq 0 iso 0 dist 9.8024 5.57495 11.8945 8.87575 3.86842 9.5716 numMergedOcc 0
31 mol 167 unq 1 iso 0 dist 9.8024 9.38297 18.1675 8.87575 3.86842 15.8939 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.99667 8.9694 11.5597 6.03628 6.62122 5.22858 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 6.22499 8.70011 9.75492 7.81831 7.89413 3.64285 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 8.59762 5.92364 5.45153 8.5458 10.8708 6.16586 numMergedOcc 0
35 mol 218 unq 1 iso 0 dist 9.42881 5.92364 11.0607 8.5458 6.75664 6.16586 numMergedOcc 0
36 mol 233 unq 0 iso 0 dist 8.69185 9.28828 6.37079 9.63067 4.45501 3.32222 numMergedOcc 0
37 mol 237 unq 0 iso 0 dist 9.66939 6.16312 12.3906 5.27463 6.51804 5.88058 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.99476 7.18462 9.55943 8.26365 12.4675 3.08474 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 8.99476 6.66342 6.65781 8.26365 12.4675 6.12546 numMergedOcc 0
