0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 20.8715 14.445 9.74445 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.85083 7.35881 7.17396 10.7972 6.34264 6.48625 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 10.0527 11.5608 9.62468 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.99643 8.2572 6.72123 12.5256 10.1513 5.92705 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 14.7682 11.8037 9.514 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 13.3052 10.4589 9.85576 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 6.46753 9.75166 8.40046 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 8.46837 5.0966 7.30021 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 10.6965 11.5099 8.69888 numMergedOcc 0
9 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 12.0647 12.1783 5.08206 numMergedOcc 0
10 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 10.6965 5.50014 8.69888 numMergedOcc 0
11 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 12.0647 7.28617 5.08206 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 11.0304 12.2822 8.0974 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 6.31492 7.48422 9.31746 5.16184 5.40949 7.86625 numMergedOcc 0
14 mol 182 unq 1 iso 0 dist 7.8621 6.98787 9.31746 8.54162 5.40949 7.86625 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 7.19917 9.55205 6.18308 8.87835 5.82028 9.67457 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 21.6232 14.6296 7.31105 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.69537 5.41675 6.61986 13.2281 6.46679 9.75313 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 7.73616 7.85135 6.08709 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 14.2476 16.2594 9.17826 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 9.18218 6.78651 7.56888 14.2476 10.6504 9.17826 numMergedOcc 0
21 mol 227 unq 2 iso 0 dist 6.18486 6.78651 7.55216 14.2476 11.4528 9.17826 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 8.17766 11.3675 7.37839 9.16488 5.3251 7.79865 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 8.17766 12.5238 8.40182 9.16488 5.3251 6.14348 numMergedOcc 0
24 mol 231 unq 2 iso 0 dist 9.84965 14.0116 7.37839 14.1681 5.3251 7.79865 numMergedOcc 0
25 mol 231 unq 3 iso 0 dist 9.84965 16.7305 8.40182 14.1681 5.3251 6.14348 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 11.5665 10.8336 6.83152 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 9.2521 10.1821 7.31233 11.5665 12.1448 5.24313 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 8.62971 4.99503 7.4631 8.99792 4.86437 9.72526 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 14.594 11.762 8.71859 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 14.6706 10.221 8.58088 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 10.3275 5.71237 6.77279 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 10.3275 5.71237 9.58006 numMergedOcc 0
33 mol 259 unq 2 iso 0 dist 9.34738 13.8605 7.84554 10.3275 9.10984 9.58006 numMergedOcc 0
34 mol 259 unq 3 iso 0 dist 9.47382 13.8605 7.46176 10.3275 11.8501 9.58006 numMergedOcc 0
35 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 13.5901 8.86096 9.05218 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 9.40138 4.58403 5.67266 numMergedOcc 0
37 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 13.9846 10.5698 5.80981 numMergedOcc 0
38 mol 282 unq 2 iso 0 dist 7.70229 8.93697 8.76532 10.9385 13.108 9.63346 numMergedOcc 0
39 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 9.40138 5.04235 5.67266 numMergedOcc 0
40 mol 282 unq 4 iso 0 dist 7.90792 8.93697 6.33524 13.9846 8.37652 5.80981 numMergedOcc 0
41 mol 282 unq 5 iso 0 dist 7.90792 8.93697 6.33524 10.9385 8.85797 9.63346 numMergedOcc 0
