0 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 13.2938 6.84216 9.68636 17.0802 11.0597 14.9214 6.83186 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 10.2533 4.86198 5.21565 9.85325 4.7874 11.4964 6.79423 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 10.2533 4.86198 10.7434 9.85325 4.7874 14.6356 6.79423 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.29446 11.2307 7.9245 13.5358 7.69072 3.46486 14.0524 5.34874 9.85512 8.42738 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.29446 11.2307 7.9245 13.5358 7.69072 3.46486 10.9234 3.68023 8.97888 8.79979 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 11.4714 7.92856 8.29813 16.7704 13.6536 14.3025 6.5816 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 11.4714 7.92856 13.2057 16.7704 13.6536 17.4636 6.5816 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 9.83528 8.06684 6.10456 11.4714 7.92856 12.7473 16.7704 13.6536 18.9347 6.5816 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 12.9689 7.92856 8.29813 18.2105 13.6536 14.3025 6.5816 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 7.54969 10.3366 6.48948 12.9689 7.92856 13.2057 18.2105 13.6536 17.4636 6.5816 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 7.54969 5.15322 6.10456 12.9689 7.92856 12.7473 18.2105 13.6536 18.9347 6.5816 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 13.586 9.59585 13.0914 13.8486 5.37655 7.02367 7.02358 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 8.14689 6.42623 5.6295 8.0889 5.61274 12.0528 7.84207 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 5.06555 7.75534 8.75408 8.14689 6.42623 5.6295 8.34958 3.35803 10.8176 6.98791 numMergedOcc 0
14 mol 120 unq 2 iso 0 dist 5.06555 7.75534 8.75408 5.74365 8.95899 8.97962 8.0889 5.61274 12.0528 8.56947 numMergedOcc 0
15 mol 120 unq 3 iso 0 dist 5.06555 5.61914 6.44653 8.14689 6.42623 3.824 8.0889 5.61274 7.53694 7.84207 numMergedOcc 0
16 mol 120 unq 4 iso 0 dist 5.06555 5.61914 6.44653 8.14689 6.42623 3.824 8.34958 3.35803 8.38358 6.98791 numMergedOcc 0
17 mol 120 unq 5 iso 0 dist 5.06555 5.61914 6.44653 5.74365 8.95899 4.96885 8.0889 5.61274 7.53694 8.56947 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 8.47907 9.75696 8.37808 12.1473 4.42563 7.90729 11.5231 6.34716 13.7903 8.565 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 11.099 8.64905 6.75249 14.1304 9.14188 8.99891 4.3855 numMergedOcc 0
20 mol 169 unq 0 iso 0 dist 6.28961 5.3864 8.49164 12.9917 9.37946 17.056 7.07933 5.38859 11.7009 6.96715 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 10.7268 4.43499 4.32238 9.0495 4.61469 9.68695 6.09626 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 9.7252 4.9764 11.8607 13.087 7.75371 5.69112 7.98956 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 7.23956 15.6875 9.7748 10.5201 6.36559 10.9137 13.087 7.75371 5.69112 5.86185 numMergedOcc 0
