0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 20.8715 14.445 9.74445 19.687 15.8918 9.69698 8.58709 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 20.8715 14.445 9.74445 14.2982 10.615 5.90113 7.53564 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 10.0527 11.5608 9.62468 14.9406 19.7171 18.7183 9.94756 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.99643 8.2572 6.72123 12.5256 10.1513 5.92705 13.2197 13.6393 7.15161 6.85094 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 14.7682 11.8037 9.514 14.4846 11.1915 11.1785 4.85152 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 13.3052 10.4589 9.85576 5.53825 7.0318 5.21051 8.30003 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 8.46837 5.0966 7.30021 11.1371 9.19499 5.66289 6.67598 numMergedOcc 0
7 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 8.46837 5.0966 7.30021 8.68948 9.97623 12.7636 8.34508 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 21.6232 14.6296 7.31105 23.8917 17.1012 9.20027 4.3362 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 7.69537 5.41675 6.61986 13.2281 6.46679 9.75313 15.6001 10.6043 13.1803 7.46044 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 14.2476 16.2594 9.17826 7.61598 14.1483 5.841 7.99145 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 9.18218 6.78651 7.56888 14.2476 10.6504 9.17826 7.61598 9.8971 5.841 7.99145 numMergedOcc 0
12 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 14.2476 11.4528 9.17826 7.61598 7.71761 5.841 7.99145 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 14.6706 10.221 8.58088 11.78 10.7821 5.13233 6.59521 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.3275 5.71237 6.77279 16.0551 13.8844 12.4673 9.16791 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.3275 5.71237 9.58006 16.0551 13.8844 16.6792 9.16791 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 9.34738 13.8605 7.84554 10.3275 9.10984 9.58006 16.0551 18.1068 16.6792 9.16791 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 9.47382 13.8605 7.46176 10.3275 11.8501 9.58006 16.0551 18.6945 16.6792 9.16791 numMergedOcc 0
18 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 13.5901 8.86096 9.05218 15.3184 13.4249 9.58401 7.35537 numMergedOcc 0
19 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 9.40138 4.58403 5.67266 10.8179 10.161 4.89059 6.40686 numMergedOcc 0
20 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 13.9846 10.5698 5.80981 10.8179 10.161 4.89059 7.14443 numMergedOcc 0
21 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 9.40138 5.04235 5.67266 10.8179 9.83042 4.89059 6.40686 numMergedOcc 0
22 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 13.9846 8.37652 5.80981 10.8179 9.83042 4.89059 7.14443 numMergedOcc 0
