0 mol 28 unq 0 iso 0 dist 5.87633 7.09381 9.40652 8.42277 6.77926 6.25611 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 7.09381 5.87633 9.40652 8.42277 6.25611 6.77926 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.87633 7.09381 9.40652 8.46493 3.85555 9.06695 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 7.09381 5.87633 9.40652 8.46493 9.06695 3.85555 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 5.87633 7.09381 9.40652 9.70547 9.20102 4.52079 numMergedOcc 0
5 mol 28 unq 2 iso 1 dist 7.09381 5.87633 9.40652 9.70547 4.52079 9.20102 numMergedOcc 0
6 mol 28 unq 3 iso 0 dist 8.24422 8.99724 5.89728 5.75809 8.89273 8.10455 numMergedOcc 0
7 mol 28 unq 3 iso 1 dist 8.99724 8.24422 5.89728 5.75809 8.10455 8.89273 numMergedOcc 0
8 mol 37 unq 0 iso 0 dist 9.21102 6.84257 8.58626 8.5893 12.5114 6.15909 numMergedOcc 0
9 mol 37 unq 0 iso 1 dist 6.84257 9.21102 8.58626 8.5893 6.15909 12.5114 numMergedOcc 0
10 mol 39 unq 0 iso 0 dist 8.86053 8.76925 10.2931 8.82943 10.8914 13.1234 numMergedOcc 0
11 mol 39 unq 0 iso 1 dist 8.76925 8.86053 10.2931 8.82943 13.1234 10.8914 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.29755 7.4038 5.58256 9.63616 15.2635 16.9039 numMergedOcc 0
13 mol 54 unq 0 iso 1 dist 7.4038 6.29755 5.58256 9.63616 16.9039 15.2635 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 5.45684 7.66372 4.78627 9.05343 7.81738 5.92555 numMergedOcc 0
15 mol 64 unq 0 iso 1 dist 7.66372 5.45684 4.78627 9.05343 5.92555 7.81738 numMergedOcc 0
16 mol 64 unq 1 iso 0 dist 7.76644 9.99743 4.78627 7.71528 7.81738 5.92555 numMergedOcc 0
17 mol 64 unq 1 iso 1 dist 9.99743 7.76644 4.78627 7.71528 5.92555 7.81738 numMergedOcc 0
18 mol 96 unq 0 iso 0 dist 9.06717 9.579 6.20878 7.68964 9.28941 9.9118 numMergedOcc 0
19 mol 96 unq 0 iso 1 dist 9.579 9.06717 6.20878 7.68964 9.9118 9.28941 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 7.88143 6.62952 8.21408 8.73798 13.2666 8.734 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 6.62952 7.88143 8.21408 8.73798 8.734 13.2666 numMergedOcc 0
22 mol 151 unq 0 iso 0 dist 7.93343 5.89468 4.78271 8.16646 8.30893 10.4799 numMergedOcc 0
23 mol 151 unq 0 iso 1 dist 5.89468 7.93343 4.78271 8.16646 10.4799 8.30893 numMergedOcc 0
24 mol 172 unq 0 iso 0 dist 5.28889 4.90175 10.1227 7.3485 9.6831 7.16279 numMergedOcc 0
25 mol 172 unq 0 iso 1 dist 4.90175 5.28889 10.1227 7.3485 7.16279 9.6831 numMergedOcc 0
26 mol 209 unq 0 iso 0 dist 6.74526 8.12326 5.00665 9.81506 4.19179 6.28791 numMergedOcc 0
27 mol 209 unq 0 iso 1 dist 8.12326 6.74526 5.00665 9.81506 6.28791 4.19179 numMergedOcc 0
28 mol 254 unq 0 iso 0 dist 5.73448 9.54526 7.61007 9.47133 5.9731 11.7647 numMergedOcc 0
29 mol 254 unq 0 iso 1 dist 9.54526 5.73448 7.61007 9.47133 11.7647 5.9731 numMergedOcc 0
30 mol 254 unq 1 iso 0 dist 5.73448 9.54526 7.61007 7.61537 3.69576 9.17109 numMergedOcc 0
31 mol 254 unq 1 iso 1 dist 9.54526 5.73448 7.61007 7.61537 9.17109 3.69576 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 6.53354 6.93798 8.33312 9.33601 9.76279 7.97597 numMergedOcc 0
33 mol 283 unq 0 iso 1 dist 6.93798 6.53354 8.33312 9.33601 7.97597 9.76279 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 5.84467 8.56533 8.60638 8.09613 4.11753 12.5011 numMergedOcc 0
35 mol 287 unq 0 iso 1 dist 8.56533 5.84467 8.60638 8.09613 12.5011 4.11753 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 5.84467 8.56533 8.60638 8.09613 4.11753 12.5011 numMergedOcc 0
37 mol 288 unq 0 iso 1 dist 8.56533 5.84467 8.60638 8.09613 12.5011 4.11753 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 5.84467 8.56533 8.60638 8.09613 4.11753 12.5011 numMergedOcc 0
39 mol 289 unq 0 iso 1 dist 8.56533 5.84467 8.60638 8.09613 12.5011 4.11753 numMergedOcc 0
