0 mol 28 unq 0 iso 0 dist 7.66985 9.17482 8.67111 6.33375 9.89219 11.286 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 5.70238 8.75468 10.5327 5.51163 9.89219 13.3428 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.70238 7.62989 8.14155 5.51163 9.89219 12.0072 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.47728 5.39651 3.0988 5.7604 7.08766 4.82199 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 5.39651 5.47728 3.0988 5.7604 4.82199 7.08766 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.31883 9.475 3.56021 5.9339 9.48125 11.1667 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 9.31883 8.34011 5.8452 5.9339 9.48125 11.4447 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 9.31883 6.29842 14.6218 5.9339 9.48125 10.7075 numMergedOcc 0
8 mol 34 unq 3 iso 0 dist 6.29842 9.31883 14.6218 4.06864 6.38866 11.9917 numMergedOcc 0
9 mol 34 unq 4 iso 0 dist 6.29842 9.475 14.7594 4.06864 6.38866 12.9247 numMergedOcc 0
10 mol 34 unq 5 iso 0 dist 6.29842 8.34011 11.4891 4.06864 6.38866 11.6522 numMergedOcc 0
11 mol 48 unq 0 iso 0 dist 6.84514 5.54554 8.33924 5.15398 5.54472 9.93675 numMergedOcc 0
12 mol 48 unq 1 iso 0 dist 6.84514 5.54554 8.33924 8.66294 8.62369 13.7233 numMergedOcc 0
13 mol 48 unq 2 iso 0 dist 6.84514 5.54554 8.33924 12.5266 6.5241 14.8399 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 6.84514 8.95402 10.0905 5.15398 5.54472 12.0538 numMergedOcc 0
15 mol 48 unq 4 iso 0 dist 6.84514 8.95402 10.0905 8.66294 8.62369 15.6455 numMergedOcc 0
16 mol 48 unq 5 iso 0 dist 6.84514 8.95402 10.0905 12.5266 6.5241 15.8172 numMergedOcc 0
17 mol 48 unq 6 iso 0 dist 7.05619 5.5232 8.45701 5.15603 5.37439 9.764 numMergedOcc 0
18 mol 48 unq 7 iso 0 dist 7.05619 5.5232 8.45701 8.37489 8.3714 13.3555 numMergedOcc 0
19 mol 48 unq 8 iso 0 dist 7.05619 5.5232 8.45701 12.6408 6.36817 14.8013 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 7.87145 6.25522 5.02964 10.2139 9.66837 11.5475 numMergedOcc 0
21 mol 93 unq 1 iso 0 dist 7.87145 9.30914 5.30633 10.2139 9.66837 12.6171 numMergedOcc 0
22 mol 111 unq 0 iso 0 dist 4.72339 6.48902 6.94371 4.26808 4.91212 9.896 numMergedOcc 0
23 mol 111 unq 1 iso 0 dist 4.72339 6.48902 6.94371 10.1254 9.74162 15.8726 numMergedOcc 0
24 mol 111 unq 2 iso 0 dist 4.72339 7.21505 8.72808 4.26808 4.91212 9.34782 numMergedOcc 0
25 mol 111 unq 3 iso 0 dist 4.72339 7.21505 8.72808 10.1254 9.74162 12.5922 numMergedOcc 0
26 mol 111 unq 4 iso 0 dist 7.21505 4.72339 8.72808 4.26808 9.34782 4.91212 numMergedOcc 0
27 mol 111 unq 5 iso 0 dist 7.21505 6.48902 10.4972 4.26808 9.34782 9.896 numMergedOcc 0
28 mol 128 unq 0 iso 0 dist 7.12765 6.28471 4.97239 4.21194 7.76123 6.08651 numMergedOcc 0
29 mol 128 unq 1 iso 0 dist 6.28471 7.12765 4.97239 4.21194 6.08651 7.76123 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 5.66207 8.56866 10.0717 5.42311 4.3855 11.4225 numMergedOcc 0
31 mol 147 unq 0 iso 0 dist 7.19893 6.37938 5.61172 7.88487 5.19116 8.45156 numMergedOcc 0
32 mol 147 unq 1 iso 0 dist 7.19893 6.37938 5.61172 8.40786 8.71702 11.7923 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 5.13892 5.78717 3.78714 8.68259 5.10542 4.68722 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 5.78717 5.13892 3.78714 8.68259 4.68722 5.10542 numMergedOcc 0
35 mol 194 unq 2 iso 0 dist 5.78717 5.13892 3.78714 7.43058 5.18325 7.52366 numMergedOcc 0
36 mol 250 unq 0 iso 0 dist 7.5999 9.50976 8.07034 6.28121 9.81716 13.0167 numMergedOcc 0
37 mol 253 unq 0 iso 0 dist 6.3738 9.86765 5.35859 4.30218 8.66299 10.9358 numMergedOcc 0
