0 mol 11 unq 0 iso 0 dist 6.49709 13.2938 6.84216 17.0802 11.0597 6.83186 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 10.2533 4.86198 9.85325 4.7874 6.79423 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.29446 13.5358 7.69072 14.0524 5.34874 8.42738 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.29446 13.5358 7.69072 10.9234 3.68023 8.79979 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.83528 11.4714 7.92856 16.7704 13.6536 6.5816 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 7.54969 12.9689 7.92856 18.2105 13.6536 6.5816 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 6.34542 11.2375 9.06601 9.83758 6.34994 4.91212 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 6.34542 11.2375 9.06601 13.9689 8.26306 9.74162 numMergedOcc 0
8 mol 111 unq 2 iso 0 dist 6.34542 6.87591 5.98809 9.83758 6.34994 9.34782 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 7.2443 4.8668 8.99912 6.36631 6.54263 4.49669 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 7.2443 4.8668 8.99912 6.24308 3.92558 5.88896 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 9.70016 13.586 9.59585 13.8486 5.37655 7.02358 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 5.06555 8.14689 6.42623 8.0889 5.61274 7.84207 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 5.06555 8.14689 6.42623 8.34958 3.35803 6.98791 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 5.06555 5.74365 8.95899 8.0889 5.61274 8.56947 numMergedOcc 0
15 mol 122 unq 0 iso 0 dist 8.47907 12.1473 4.42563 11.5231 6.34716 8.565 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 7.73769 11.099 8.64905 14.1304 9.14188 4.3855 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 6.28961 12.9917 9.37946 7.07933 5.38859 6.96715 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 9.73691 6.56215 9.09354 10.8894 3.62097 7.93317 numMergedOcc 0
19 mol 213 unq 1 iso 0 dist 9.73691 9.18934 4.66576 15.5597 7.49785 9.71831 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.82778 10.7268 4.43499 9.0495 4.61469 6.09626 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 6.95233 4.5731 9.29666 7.96613 14.5358 7.80711 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 6.95233 4.5731 9.29666 14.3456 18.7228 9.9965 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.53324 9.7252 7.42932 13.087 14.2348 7.98956 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 7.23956 9.7252 4.9764 13.087 7.75371 7.98956 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 7.23956 10.5201 6.36559 13.087 7.75371 5.86185 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 8.66941 10.3675 7.42932 17.8142 14.2348 7.98956 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 9.27716 7.60311 5.50053 7.8046 12.8596 7.90368 numMergedOcc 0
28 mol 281 unq 1 iso 0 dist 9.27716 7.60311 5.50053 11.1901 5.19196 6.69267 numMergedOcc 0
29 mol 281 unq 2 iso 0 dist 9.27716 11.1675 7.33334 16.2764 11.0049 5.33372 numMergedOcc 0
30 mol 281 unq 3 iso 0 dist 9.27716 11.1675 7.33334 11.1901 5.19196 6.56886 numMergedOcc 0
