0 mol 20 unq 0 iso 0 dist 9.37411 9.00405 7.47395 12.5983 5.47538 6.09002 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.85325 10.2533 6.79423 14.5784 6.78054 8.26541 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.85325 10.2533 6.79423 9.43143 4.7874 4.86198 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 9.85325 10.2533 6.79423 16.5383 10.3016 6.62699 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 9.85325 10.2533 6.79423 17.9461 9.35725 8.98867 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 9.83758 11.2375 4.91212 6.34542 6.34994 9.06601 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 9.83758 6.87591 9.34782 6.34542 6.34994 5.98809 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.36631 4.8668 4.49669 7.2443 6.54263 8.99912 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.24308 4.8668 5.88896 7.2443 3.92558 8.99912 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.60192 7.33656 5.86379 10.1873 4.18693 5.93278 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.60192 10.5073 6.21029 10.1873 4.18693 6.19918 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 9.82655 10.5817 5.86379 9.62812 3.98154 4.76974 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 9.82655 13.8778 8.64686 9.62812 3.98154 8.0336 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 8.83566 6.28158 6.55227 11.5792 5.49724 8.51123 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 8.0889 8.14689 7.84207 5.06555 5.61274 6.42623 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 8.0889 5.74365 8.56947 5.06555 5.61274 8.95899 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 5.96324 6.34139 5.60448 11.4846 6.80544 9.3273 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 7.07933 12.9917 6.96715 6.28961 5.38859 9.37946 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.84293 6.88195 7.38825 12.8635 10.4312 9.76973 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 5.84588 5.73959 7.38825 12.0717 10.4312 9.76973 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.0495 10.7268 6.09626 8.82778 4.61469 4.43499 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 7.96613 4.5731 7.80711 6.95233 14.5358 9.29666 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 8.70774 14.9564 7.98956 15.6716 13.7583 9.54359 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 8.70774 14.9564 7.98956 16.2514 11.8607 5.69112 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 9.73306 12.2582 7.90368 14.5778 12.8596 5.50053 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 7.8046 7.60311 7.90368 9.27716 12.8596 5.50053 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 5.80835 9.50643 8.07775 10.8963 7.22011 4.49592 numMergedOcc 0
