0 mol 25 unq 0 iso 0 dist 8.83402 8.46842 5.59268 10.5274 13.0464 8.40051 13.3513 10.5993 7.57578 13.466 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.83402 8.46842 5.59268 10.5274 13.0464 8.40051 14.4516 8.88413 7.17969 14.4191 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.58806 9.07927 12.1122 12.3669 19.1791 9.87281 6.44262 13.3292 7.31767 6.17631 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 8.58806 8.50987 14.3338 12.3669 19.1791 7.63928 6.44262 13.3292 6.03987 6.17631 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 9.35529 9.41521 5.89379 9.0362 8.43293 7.04864 11.2541 12.2464 8.75408 4.5543 numMergedOcc 0
5 mol 120 unq 1 iso 0 dist 9.35529 9.41521 5.89379 9.0362 8.43293 7.04864 8.90504 11.2107 6.44653 6.81949 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 4.76012 6.1421 6.43966 12.3343 14.5797 9.28278 7.86921 10.2333 8.54584 14.5776 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 11.2112 12.2899 7.81337 7.69184 6.31125 6.85062 11.4498 numMergedOcc 0
8 mol 180 unq 0 iso 0 dist 9.13402 7.24785 10.2567 16.5686 19.3627 9.88732 14.0966 19.2043 9.62337 6.54937 numMergedOcc 0
9 mol 180 unq 1 iso 0 dist 9.13402 7.24785 10.2567 11.9699 15.84 5.77949 14.0966 19.2043 9.62337 6.91082 numMergedOcc 0
10 mol 180 unq 2 iso 0 dist 9.13402 7.24785 10.2567 14.8912 17.779 8.68403 14.0966 19.2043 9.62337 10.1423 numMergedOcc 0
11 mol 180 unq 3 iso 0 dist 9.13402 7.24785 10.2567 4.80648 12.7198 5.80441 14.0966 19.2043 9.62337 9.82186 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.22999 5.07968 5.38988 6.85536 11.3595 7.16386 4.58603 12.5997 9.41367 9.02283 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 9.27187 10.9808 9.55777 9.75789 10.8522 8.01589 6.54251 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 6.17749 8.81925 4.82768 9.27187 10.9808 9.55777 12.7799 10.0664 7.7699 15.3892 numMergedOcc 0
15 mol 222 unq 2 iso 0 dist 6.17749 8.81925 4.82768 9.27187 10.9808 9.55777 12.5625 7.85877 7.21333 16.4881 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 5.67249 7.17987 6.50055 14.3029 10.7133 7.86368 14.7629 15.2381 9.45496 12.0816 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 5.67249 7.17987 6.50055 14.3029 10.7133 7.86368 13.5847 12.803 6.7625 6.94762 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.40329 6.0087 4.38595 13.2917 11.1162 8.90987 11.2678 11.3361 8.03456 5.26654 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 5.40329 6.0087 4.38595 13.2917 11.1162 8.90987 12.338 9.89665 6.84306 3.82437 numMergedOcc 0
20 mol 236 unq 2 iso 0 dist 5.40329 6.0087 4.38595 13.2917 11.1162 8.90987 12.431 14.0991 9.99038 13.8124 numMergedOcc 0
21 mol 236 unq 3 iso 0 dist 5.40329 6.0087 4.38595 13.2917 11.1162 8.90987 8.71933 11.8422 9.78037 11.2846 numMergedOcc 0
22 mol 236 unq 4 iso 0 dist 5.40329 6.0087 4.38595 13.2917 11.1162 8.90987 5.81354 9.05929 8.35971 16.8883 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 6.84909 6.87804 8.04474 12.1872 12.7106 9.20416 11.634 9.30668 8.2734 5.26243 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 6.84909 6.87804 8.04474 12.2904 8.35169 7.53641 11.634 9.30668 8.2734 5.58251 numMergedOcc 0
25 mol 292 unq 2 iso 0 dist 6.38051 6.07571 9.00118 11.4534 16.3449 9.20416 8.66797 12.6526 8.2734 5.26243 numMergedOcc 0
26 mol 292 unq 3 iso 0 dist 6.38051 6.07571 9.00118 4.49811 7.7557 7.53641 8.66797 12.6526 8.2734 5.58251 numMergedOcc 0
