0 mol 30 unq 0 iso 0 dist 7.81535 6.40398 9.88348 10.9094 17.5945 8.7817 11.8694 17.2521 7.55415 5.26258 numMergedOcc 0
1 mol 30 unq 0 iso 1 dist 7.81535 6.40398 9.88348 11.8694 17.2521 7.55415 10.9094 17.5945 8.7817 5.26258 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.00504 9.17687 12.291 14.4151 18.8032 9.93832 10.3283 12.5807 8.60739 8.13395 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 6.00504 9.17687 12.291 10.3283 12.5807 8.60739 14.4151 18.8032 9.93832 8.13395 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 7.82362 9.17687 4.91809 14.4151 13.3752 9.93832 10.3283 12.2944 8.60739 8.13395 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 7.82362 9.17687 4.91809 10.3283 12.2944 8.60739 14.4151 13.3752 9.93832 8.13395 numMergedOcc 0
6 mol 94 unq 0 iso 0 dist 8.32077 7.63006 13.9748 10.119 18.1362 8.16733 6.26149 12.5665 9.97569 7.49897 numMergedOcc 0
7 mol 94 unq 0 iso 1 dist 8.32077 7.63006 13.9748 6.26149 12.5665 9.97569 10.119 18.1362 8.16733 7.49897 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.35267 9.9387 5.70461 10.4339 6.31633 8.67766 4.91393 7.21115 8.0831 6.48636 numMergedOcc 0
9 mol 109 unq 0 iso 1 dist 8.35267 9.9387 5.70461 4.91393 7.21115 8.0831 10.4339 6.31633 8.67766 6.48636 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 8.25764 5.93793 11.2791 8.07661 16.1545 8.97264 8.29712 14.5971 8.80896 5.59807 numMergedOcc 0
11 mol 124 unq 0 iso 1 dist 8.25764 5.93793 11.2791 8.29712 14.5971 8.80896 8.07661 16.1545 8.97264 5.59807 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 4.99993 5.33789 10.1932 9.81415 13.6688 9.18635 5.21925 6.47339 8.10985 11.6493 numMergedOcc 0
13 mol 198 unq 0 iso 1 dist 4.99993 5.33789 10.1932 5.21925 6.47339 8.10985 9.81415 13.6688 9.18635 11.6493 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 7.35566 8.69109 11.3479 15.4506 18.5883 8.92743 10.808 16.2201 8.08082 6.94172 numMergedOcc 0
15 mol 229 unq 0 iso 1 dist 7.35566 8.69109 11.3479 10.808 16.2201 8.08082 15.4506 18.5883 8.92743 6.94172 numMergedOcc 0
16 mol 229 unq 1 iso 0 dist 7.35566 8.69109 11.3479 15.4506 18.5883 8.92743 11.9018 16.5752 5.77318 7.0298 numMergedOcc 0
17 mol 229 unq 1 iso 1 dist 7.35566 8.69109 11.3479 11.9018 16.5752 5.77318 15.4506 18.5883 8.92743 7.0298 numMergedOcc 0
18 mol 229 unq 2 iso 0 dist 7.35566 8.69109 11.3479 15.4506 18.5883 8.92743 5.93705 11.3014 8.19603 15.7694 numMergedOcc 0
19 mol 229 unq 2 iso 1 dist 7.35566 8.69109 11.3479 5.93705 11.3014 8.19603 15.4506 18.5883 8.92743 15.7694 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 7.35566 8.69109 11.3479 10.808 16.2201 8.08082 11.9018 16.5752 5.77318 5.5729 numMergedOcc 0
21 mol 229 unq 1 iso 1 dist 7.35566 8.69109 11.3479 11.9018 16.5752 5.77318 10.808 16.2201 8.08082 5.5729 numMergedOcc 0
22 mol 229 unq 2 iso 0 dist 7.35566 8.69109 11.3479 10.808 16.2201 8.08082 5.93705 11.3014 8.19603 11.3041 numMergedOcc 0
23 mol 229 unq 2 iso 1 dist 7.35566 8.69109 11.3479 5.93705 11.3014 8.19603 10.808 16.2201 8.08082 11.3041 numMergedOcc 0
24 mol 229 unq 2 iso 0 dist 7.35566 8.69109 11.3479 11.9018 16.5752 5.77318 5.93705 11.3014 8.19603 9.96077 numMergedOcc 0
25 mol 229 unq 2 iso 1 dist 7.35566 8.69109 11.3479 5.93705 11.3014 8.19603 11.9018 16.5752 5.77318 9.96077 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 8.2419 6.47064 9.94195 10.7614 17.8637 9.09271 11.777 17.2773 7.44838 5.53477 numMergedOcc 0
27 mol 230 unq 0 iso 1 dist 8.2419 6.47064 9.94195 11.777 17.2773 7.44838 10.7614 17.8637 9.09271 5.53477 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.53411 5.5826 5.87397 11.1632 12.2928 6.66971 11.0996 11.0733 6.4398 5.40359 numMergedOcc 0
29 mol 238 unq 0 iso 1 dist 6.53411 5.5826 5.87397 11.0996 11.0733 6.4398 11.1632 12.2928 6.66971 5.40359 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 6.53411 5.5826 5.87397 11.1632 12.2928 6.66971 5.18833 10.9477 7.32982 10.0191 numMergedOcc 0
31 mol 238 unq 1 iso 1 dist 6.53411 5.5826 5.87397 5.18833 10.9477 7.32982 11.1632 12.2928 6.66971 10.0191 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 6.53411 5.5826 5.87397 11.0996 11.0733 6.4398 5.18833 10.9477 7.32982 10.1648 numMergedOcc 0
33 mol 238 unq 1 iso 1 dist 6.53411 5.5826 5.87397 5.18833 10.9477 7.32982 11.0996 11.0733 6.4398 10.1648 numMergedOcc 0
34 mol 264 unq 0 iso 0 dist 7.97228 9.91954 15.3921 15.213 22.0744 7.52281 7.50444 14.3599 6.42588 8.96144 numMergedOcc 0
35 mol 264 unq 0 iso 1 dist 7.97228 9.91954 15.3921 7.50444 14.3599 6.42588 15.213 22.0744 7.52281 8.96144 numMergedOcc 0
