0 mol 2 unq 0 iso 0 dist 7.68325 4.27932 6.47123 6.35824 8.3726 4.00237 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 7.95007 4.20667 6.3896 5.22923 8.90155 5.09467 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.5865 4.33242 6.42569 14.3321 5.98867 11.3102 numMergedOcc 0
3 mol 33 unq 1 iso 0 dist 8.5865 7.39517 9.13872 14.3321 5.98867 12.71 numMergedOcc 0
4 mol 33 unq 2 iso 0 dist 8.5865 8.75964 7.27307 14.3321 5.98867 9.65713 numMergedOcc 0
5 mol 33 unq 3 iso 0 dist 8.5865 12.4737 5.73206 14.3321 5.98867 3.93232 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 7.63813 5.19612 8.92491 14.0039 9.50939 13.3471 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 7.63813 9.45571 7.41861 14.0039 9.50939 9.68005 numMergedOcc 0
8 mol 81 unq 0 iso 0 dist 8.78612 8.96662 9.80754 5.53904 8.57764 5.82911 numMergedOcc 0
9 mol 83 unq 0 iso 0 dist 9.90769 10.6504 6.77845 12.4567 5.13041 5.31562 numMergedOcc 0
10 mol 83 unq 1 iso 0 dist 9.90769 6.65429 5.48555 12.4567 5.13041 8.56578 numMergedOcc 0
11 mol 83 unq 2 iso 0 dist 9.90769 9.4696 5.39805 12.4567 5.13041 3.7497 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 7.78572 3.84554 8.17814 10.1353 9.58166 8.48716 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.78572 7.90816 9.14434 10.1353 9.58166 16.3356 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.61918 7.49664 6.9268 14.4611 8.98028 8.4707 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.61918 14.1334 8.19166 14.4611 8.98028 6.42838 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 9.46764 13.6517 8.78412 14.5881 9.46735 6.11737 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 6.33118 3.39334 8.80952 4.67886 7.76952 3.72916 numMergedOcc 0
18 mol 158 unq 1 iso 0 dist 6.33118 3.39334 8.80952 14.6154 9.98554 17.8569 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 9.23587 6.21824 9.1056 6.97922 8.82481 5.58661 numMergedOcc 0
20 mol 183 unq 0 iso 0 dist 6.23903 5.27994 6.0782 9.09406 8.69656 9.03854 numMergedOcc 0
21 mol 183 unq 1 iso 0 dist 8.39603 5.50571 6.0782 9.29513 8.69656 9.03854 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 8.27545 11.9796 9.78743 12.6116 7.97601 16.7863 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 5.77947 8.12353 8.12934 3.95521 8.06847 6.43635 numMergedOcc 0
24 mol 233 unq 0 iso 0 dist 7.91999 13.0673 7.21531 10.0567 8.70416 7.70097 numMergedOcc 0
25 mol 233 unq 1 iso 0 dist 7.91999 13.0673 7.21531 5.97893 8.18379 10.2345 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 6.77267 7.74816 4.53228 9.24382 5.4687 6.29809 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 6.77267 6.45423 8.54078 9.24382 5.4687 8.19053 numMergedOcc 0
28 mol 239 unq 2 iso 0 dist 6.70738 10.9426 7.15878 3.65952 4.37138 9.98527 numMergedOcc 0
29 mol 239 unq 3 iso 0 dist 8.55314 12.2142 7.15878 7.05149 4.37138 9.98527 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 6.64109 11.3601 8.5774 3.42654 6.04835 8.80592 numMergedOcc 0
31 mol 265 unq 1 iso 0 dist 6.64109 14.6525 9.94957 3.42654 6.04835 14.366 numMergedOcc 0
32 mol 265 unq 2 iso 0 dist 6.64109 13.3527 8.01664 3.42654 6.04835 11.7178 numMergedOcc 0
33 mol 265 unq 3 iso 0 dist 8.57593 10.9464 8.5774 5.12694 6.04835 8.80592 numMergedOcc 0
34 mol 265 unq 4 iso 0 dist 8.57593 14.3021 9.94957 5.12694 6.04835 14.366 numMergedOcc 0
35 mol 265 unq 5 iso 0 dist 8.57593 13.514 8.01664 5.12694 6.04835 11.7178 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 8.02607 8.13064 9.80006 9.23405 9.03341 3.87565 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 8.08235 4.78661 7.98183 3.63631 8.88483 5.43113 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 7.1255 12.4201 7.98183 10.8022 8.88483 5.43113 numMergedOcc 0
39 mol 280 unq 0 iso 0 dist 7.03817 4.79056 6.16854 3.53168 8.7752 3.65986 numMergedOcc 0
