0 mol 73 unq 0 iso 0 dist 6.95094 4.91508 9.58544 6.35914 8.14547 4.4893 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 7.81379 9.22123 11.2088 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 4.85152 11.1785 9.514 4.65469 7.36335 12.3859 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 4.85152 10.9352 7.84888 7.81379 9.22123 9.85862 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 4.85152 10.9352 7.84888 4.65469 7.36335 13.4866 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 5.51185 9.11989 8.77773 4.80201 8.91685 13.7019 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 9.61113 13.9809 9.01767 11.0943 9.61193 16.2013 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 7.73836 5.09542 9.01767 11.9665 9.61193 16.2013 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 5.1557 4.93017 8.48413 6.61855 5.79144 7.69917 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 6.61855 5.79144 4.05822 numMergedOcc 0
10 mol 142 unq 2 iso 0 dist 9.5355 10.106 8.48413 5.19808 5.79144 7.69917 numMergedOcc 0
11 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 5.19808 5.79144 4.05822 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.67598 5.66289 7.30021 15.4738 9.15935 16.1391 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 8.34508 12.7636 7.30021 7.92829 9.15935 16.1391 numMergedOcc 0
14 mol 165 unq 0 iso 0 dist 6.31455 4.87976 9.78437 3.67488 9.93641 4.98825 numMergedOcc 0
15 mol 183 unq 0 iso 0 dist 9.81282 6.00494 7.31181 13.7825 8.58178 8.21023 numMergedOcc 0
16 mol 183 unq 1 iso 0 dist 9.81282 6.00494 7.31181 9.83347 4.77438 4.68341 numMergedOcc 0
17 mol 183 unq 2 iso 0 dist 9.81282 6.00494 7.31181 5.14341 5.73344 4.49876 numMergedOcc 0
18 mol 185 unq 0 iso 0 dist 6.11382 10.9948 8.04591 4.96002 4.91046 7.1993 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.21112 7.42296 7.07183 6.20494 9.88692 12.6762 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.21112 7.42296 7.07183 13.2338 9.38368 15.4812 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 7.06533 8.60418 7.07183 5.10421 9.88692 12.6762 numMergedOcc 0
22 mol 205 unq 3 iso 0 dist 7.06533 8.60418 7.07183 9.56612 9.38368 15.4812 numMergedOcc 0
23 mol 205 unq 4 iso 0 dist 5.94835 5.30941 7.07183 14.6973 9.88692 12.6762 numMergedOcc 0
24 mol 205 unq 5 iso 0 dist 5.94835 5.30941 7.07183 13.8741 9.38368 15.4812 numMergedOcc 0
25 mol 211 unq 0 iso 0 dist 9.45365 8.91121 8.63308 11.3775 8.13147 7.53096 numMergedOcc 0
26 mol 211 unq 1 iso 0 dist 7.15386 7.03173 8.63308 6.72244 8.13147 7.53096 numMergedOcc 0
27 mol 211 unq 2 iso 0 dist 7.73993 11.6621 8.63308 8.28079 8.13147 7.53096 numMergedOcc 0
28 mol 213 unq 0 iso 0 dist 8.84278 8.28789 4.58599 9.28886 6.81437 3.62097 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 4.99301 5.25583 6.56437 5.8264 6.04509 8.10337 numMergedOcc 0
30 mol 249 unq 0 iso 0 dist 5.66519 6.47697 5.78121 11.9148 9.38713 5.57138 numMergedOcc 0
31 mol 249 unq 1 iso 0 dist 5.66519 8.68833 7.29898 11.9148 9.38713 10.3504 numMergedOcc 0
32 mol 265 unq 0 iso 0 dist 8.19772 4.36105 9.59213 11.5884 6.80043 14.7514 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 9.42812 10.7202 8.57532 3.60894 9.48076 10.9811 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 9.42812 17.0927 9.02914 3.60894 9.48076 16.4508 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 9.42812 16.2915 6.90434 3.60894 9.48076 16.2423 numMergedOcc 0
36 mol 277 unq 3 iso 0 dist 7.98871 7.0797 9.98528 4.88613 9.98309 6.7745 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 9.9227 5.80223 8.85762 9.17893 8.87017 3.51781 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 7.80784 6.535 8.42412 8.08311 9.50506 6.92064 numMergedOcc 0
39 mol 294 unq 0 iso 0 dist 6.9719 6.25471 9.06517 4.49457 8.30521 5.60652 numMergedOcc 0
