0 mol 33 unq 0 iso 0 dist 8.70164 8.35897 4.20737 9.05783 9.76851 7.54108 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.77145 5.99879 8.52308 9.96747 15.7847 9.51017 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.77145 5.99879 8.52308 4.23367 10.6906 8.47212 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 4.87397 5.99879 7.47787 9.96747 14.3662 9.51017 numMergedOcc 0
4 mol 54 unq 3 iso 0 dist 4.87397 5.99879 7.47787 4.23367 8.87476 8.47212 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.89076 8.78612 8.00722 8.96662 5.96486 9.80754 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.04648 9.90769 16.3222 10.6504 18.0525 6.77845 numMergedOcc 0
7 mol 83 unq 1 iso 0 dist 9.04648 9.90769 16.3222 6.65429 12.4418 5.48555 numMergedOcc 0
8 mol 83 unq 2 iso 0 dist 9.04648 9.90769 16.3222 9.4696 17.9288 5.39805 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.42444 9.42064 10.7349 5.34511 10.5781 8.75165 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 9.64736 9.42064 4.45483 5.34511 10.429 8.75165 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 5.70772 9.89646 14.7037 10.7499 15.5896 5.47265 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 8.53483 6.23903 3.94874 5.27994 8.15747 6.0782 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 8.58404 8.22495 8.4495 10.7207 14.4372 7.99897 numMergedOcc 0
14 mol 183 unq 2 iso 0 dist 8.58404 8.22495 8.4495 5.50571 8.15747 7.58913 numMergedOcc 0
15 mol 183 unq 3 iso 0 dist 8.58404 8.22495 8.4495 7.86281 13.8859 7.67623 numMergedOcc 0
16 mol 183 unq 4 iso 0 dist 8.58404 8.39603 3.94874 5.50571 8.15747 6.0782 numMergedOcc 0
17 mol 183 unq 5 iso 0 dist 8.1126 8.22495 5.86369 10.7207 13.1649 7.99897 numMergedOcc 0
18 mol 183 unq 6 iso 0 dist 8.1126 8.22495 5.86369 5.50571 8.74903 7.58913 numMergedOcc 0
19 mol 183 unq 7 iso 0 dist 8.1126 8.22495 5.86369 7.86281 11.3961 7.67623 numMergedOcc 0
20 mol 183 unq 8 iso 0 dist 8.1126 8.39603 4.44329 5.50571 8.74903 6.0782 numMergedOcc 0
21 mol 233 unq 0 iso 0 dist 9.49046 7.91999 5.89828 13.0673 7.74693 7.21531 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 8.93292 8.60091 6.42012 4.32107 5.86679 8.6336 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 7.54613 9.63091 4.47286 9.58759 7.14598 9.99628 numMergedOcc 0
24 mol 265 unq 0 iso 0 dist 9.83854 8.57593 10.531 10.9464 15.8929 8.5774 numMergedOcc 0
25 mol 265 unq 1 iso 0 dist 9.83854 8.57593 10.531 14.3021 11.4903 9.94957 numMergedOcc 0
26 mol 265 unq 2 iso 0 dist 9.83854 8.57593 10.531 13.514 14.6106 8.01664 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.96682 7.1255 10.1758 12.4201 18.1554 7.98183 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 8.28068 8.57375 4.01355 5.70683 8.36393 5.90728 numMergedOcc 0
