0 mol 1 unq 0 iso 0 dist 6.04659 5.99543 8.27735 9.35554 5.27206 9.00903 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.8255 9.69326 8.88982 16.7858 13.9585 7.10621 numMergedOcc 0
2 mol 14 unq 0 iso 0 dist 8.60449 5.67022 7.0208 14.735 10.5465 9.58196 numMergedOcc 0
3 mol 14 unq 1 iso 0 dist 6.51872 5.67022 7.28563 14.735 12.3645 9.58196 numMergedOcc 0
4 mol 14 unq 2 iso 0 dist 6.51872 7.5545 8.51112 14.735 12.3645 9.04767 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 5.89962 6.75623 6.31203 7.96299 4.53359 5.83409 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.96762 5.98221 5.11612 13.352 10.3475 9.33865 numMergedOcc 0
7 mol 115 unq 1 iso 0 dist 5.96762 5.98221 5.11612 11.172 6.86762 5.83991 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 6.90325 4.91992 7.94593 11.3307 13.2723 9.0018 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 6.90325 4.91992 7.94593 10.6356 8.63795 7.652 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 9.63592 6.06412 6.04106 10.2757 12.9245 7.26832 numMergedOcc 0
11 mol 205 unq 1 iso 0 dist 5.64116 4.84308 6.04106 11.1839 12.9245 7.26832 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 7.74501 5.14312 8.52933 11.2852 10.568 9.06952 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 6.73161 5.89263 7.17032 10.0158 5.44278 6.56247 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 6.73161 5.89263 7.17032 13.4063 9.25445 9.45496 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 4.80928 5.3674 8.18588 6.90245 10.2076 7.4631 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 8.10349 5.13362 8.69557 11.9467 9.51148 8.23192 numMergedOcc 0
17 mol 243 unq 1 iso 0 dist 6.33501 5.8297 8.69557 10.8689 9.51148 8.23192 numMergedOcc 0
18 mol 243 unq 2 iso 0 dist 6.67803 5.8297 4.89168 10.8689 6.50608 8.23192 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 5.67503 4.05162 6.78702 8.49415 4.75685 8.4218 numMergedOcc 0
20 mol 265 unq 1 iso 0 dist 8.35562 4.05162 8.59825 8.49415 11.5105 8.4218 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 9.63604 4.56991 9.0021 10.8954 12.6862 6.53701 numMergedOcc 0
