0 mol 66 unq 0 iso 0 dist 9.03383 6.85819 5.49864 8.31793 10.8925 5.57361 6.43842 10.0378 9.37957 12.4286 numMergedOcc 0
1 mol 119 unq 0 iso 0 dist 8.64438 8.24549 10.9345 6.85677 5.81718 5.19198 4.99061 9.85387 6.49205 6.18601 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 8.54607 9.6582 7.72261 5.97805 7.50335 12.6081 16.3678 12.3165 9.48243 18.8285 numMergedOcc 0
3 mol 175 unq 0 iso 0 dist 9.30469 6.21546 10.7476 6.73365 12.0877 5.50014 5.73338 9.09725 8.69888 5.6234 numMergedOcc 0
4 mol 175 unq 1 iso 0 dist 9.30469 6.21546 10.7476 9.45659 9.79219 7.39186 5.73338 9.09725 8.69888 6.57069 numMergedOcc 0
5 mol 175 unq 2 iso 0 dist 9.30469 6.21546 10.7476 9.44856 5.94412 7.05768 5.73338 9.09725 8.69888 9.7158 numMergedOcc 0
6 mol 175 unq 3 iso 0 dist 9.30469 6.03184 4.81365 6.73365 12.0877 7.28617 5.52686 10.6016 9.57611 12.0591 numMergedOcc 0
7 mol 175 unq 4 iso 0 dist 9.30469 6.03184 4.81365 6.73365 12.0877 7.28617 5.73338 9.09725 5.08206 5.6234 numMergedOcc 0
8 mol 175 unq 5 iso 0 dist 9.30469 6.03184 4.81365 9.45659 9.79219 5.77256 5.52686 10.6016 9.57611 14.3157 numMergedOcc 0
9 mol 175 unq 6 iso 0 dist 9.30469 6.03184 4.81365 9.45659 9.79219 5.77256 5.73338 9.09725 5.08206 6.57069 numMergedOcc 0
10 mol 175 unq 7 iso 0 dist 9.30469 6.03184 4.81365 9.44856 5.94412 4.96871 5.52686 10.6016 9.57611 13.1497 numMergedOcc 0
11 mol 175 unq 8 iso 0 dist 9.30469 6.03184 4.81365 9.44856 5.94412 4.96871 5.73338 9.09725 5.08206 9.7158 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 8.21649 7.65323 4.85877 9.19263 8.21044 7.40413 6.68626 10.8385 9.99185 14.9092 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.21649 7.65323 4.85877 9.19263 8.21044 7.40413 7.20088 7.0119 8.31638 13.4144 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 8.07523 6.36047 5.82028 13.3929 11.965 9.67457 6.18308 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 9.58979 9.00343 6.24537 7.56882 6.36047 5.82028 12.3088 11.965 9.67457 6.18308 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.37469 7.86207 15.7127 8.9077 16.7786 4.90657 10.6943 18.2396 9.8711 9.23153 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.31156 7.62593 12.0777 4.79841 6.87755 5.41021 11.4653 12.2287 9.33771 8.95269 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.31156 7.62593 12.0777 4.79841 6.87755 5.41021 12.5358 15.1247 7.39839 9.99123 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 9.26431 6.23346 4.32804 8.56954 5.56464 5.53578 9.6645 9.10813 9.54235 13.1006 numMergedOcc 0
20 mol 230 unq 1 iso 0 dist 9.26431 6.23346 4.32804 9.23938 10.1392 7.7551 9.6645 9.10813 9.54235 16.6739 numMergedOcc 0
21 mol 282 unq 0 iso 0 dist 9.06244 7.93511 10.499 6.84554 6.17747 4.58403 9.67023 12.9555 5.67266 8.76532 numMergedOcc 0
22 mol 282 unq 1 iso 0 dist 9.06244 7.93511 10.499 9.51581 7.94567 5.04235 9.67023 12.9555 5.67266 6.33524 numMergedOcc 0
