0 mol 34 unq 0 iso 0 dist 7.59131 9.19223 4.74094 11.891 6.38866 10.7075 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.19223 7.59131 4.74094 17.8253 9.48125 11.9917 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 8.28997 8.54311 2.75715 9.40786 5.31126 7.16619 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 8.28997 8.54311 2.75715 4.37694 4.49669 5.88896 numMergedOcc 0
4 mol 113 unq 2 iso 0 dist 8.28997 8.54311 2.75715 6.31995 6.00221 7.84239 numMergedOcc 0
5 mol 113 unq 3 iso 0 dist 8.54311 8.28997 2.75715 9.40786 7.16619 5.31126 numMergedOcc 0
6 mol 113 unq 4 iso 0 dist 8.54311 8.28997 2.75715 4.37694 5.88896 4.49669 numMergedOcc 0
7 mol 113 unq 5 iso 0 dist 7.98399 9.72242 11.0417 9.26558 5.31126 9.75234 numMergedOcc 0
8 mol 113 unq 6 iso 0 dist 7.98399 9.72242 11.0417 10.9453 4.49669 14.4753 numMergedOcc 0
9 mol 113 unq 7 iso 0 dist 7.98399 9.72242 11.0417 10.0348 6.00221 16.0495 numMergedOcc 0
10 mol 113 unq 8 iso 0 dist 9.72242 7.98399 11.0417 11.6507 7.02358 11.772 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.7638 8.47667 6.78199 8.42353 7.53342 12.0386 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 9.57261 8.89619 10.9743 9.32731 9.21536 16.5939 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.99201 8.37864 14.5502 7.8793 7.25595 15.9889 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.99201 8.37864 14.5502 11.482 9.94825 16.652 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 6.99201 8.35757 15.0775 7.8793 7.25595 12.8994 numMergedOcc 0
16 mol 186 unq 3 iso 0 dist 6.99201 8.35757 15.0775 11.482 9.94825 18.4363 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 9.39466 8.14718 4.67219 9.00401 9.80479 12.0817 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.59154 8.54753 5.76129 15.6368 6.96692 8.25286 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.54753 9.59154 5.76129 11.3236 7.8598 10.9313 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 8.54753 9.59154 5.76129 15.6368 8.25286 6.96692 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 5.99705 5.04543 3.75238 10.9076 7.98956 11.2004 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 5.99705 5.04543 3.75238 7.81318 5.86185 8.41856 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 5.99705 5.04543 3.75238 8.19724 6.79748 6.53598 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 5.04543 5.99705 3.75238 8.19724 6.53598 6.79748 numMergedOcc 0
25 mol 281 unq 0 iso 0 dist 6.50041 5.70591 3.77058 6.21647 7.90368 9.46544 numMergedOcc 0
26 mol 281 unq 1 iso 0 dist 6.50041 5.70591 3.77058 8.67682 6.69267 6.56886 numMergedOcc 0
27 mol 281 unq 2 iso 0 dist 5.70591 6.50041 3.77058 9.7837 5.33372 8.70938 numMergedOcc 0
28 mol 281 unq 3 iso 0 dist 5.70591 6.50041 3.77058 8.67682 6.56886 6.69267 numMergedOcc 0
29 mol 287 unq 0 iso 0 dist 8.42001 8.75812 14.8735 4.0634 4.68668 11.2546 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 8.42001 8.75812 14.8735 4.0634 4.68668 11.2546 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.42001 8.75812 14.8735 4.0634 4.68668 11.2546 numMergedOcc 0
