0 mol 8 unq 0 iso 0 dist 6.27477 8.76702 8.02605 9.69819 10.3253 6.22971 6.1146 7.8922 13.7261 13.2615 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 8.90536 9.00544 18.0041 12.2657 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 6.6157 9.75737 7.16919 5.69359 7.12017 10.8066 9.5669 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 6.73172 5.39346 5.76986 12.468 8.729 13.6135 9.77017 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 6.38977 9.64856 7.50824 8.74658 7.7567 6.26504 6.53994 8.86329 10.5099 5.56627 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 6.38977 9.69757 5.55373 8.74658 7.7567 8.23791 6.53994 8.86329 8.71039 5.56627 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 9.69757 9.64856 11.0599 8.74658 8.23791 6.26504 6.53994 8.71039 10.5099 5.56627 numMergedOcc 0
7 mol 131 unq 3 iso 0 dist 9.69757 9.64856 11.0599 8.74658 8.23791 6.26504 13.4383 6.92648 13.9687 8.50562 numMergedOcc 0
8 mol 131 unq 4 iso 0 dist 9.69757 6.38977 5.55373 8.74658 8.23791 7.7567 6.53994 8.71039 8.86329 5.56627 numMergedOcc 0
9 mol 131 unq 5 iso 0 dist 9.69757 6.38977 5.55373 8.74658 8.23791 7.7567 13.4383 6.92648 11.4206 8.50562 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 9.14007 7.42649 9.43674 5.74529 6.69515 7.86572 6.94988 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 9.75558 4.93035 6.21253 9.14007 9.43674 7.42649 5.74529 7.86572 6.69515 6.94988 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 7.38138 9.7168 8.05787 9.92375 4.99768 11.2659 3.97123 7.97543 11.214 11.5523 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.25528 6.96824 11.9017 5.6688 5.6044 6.29863 6.09526 6.51749 11.6563 7.11785 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 6.21588 5.86489 11.2903 10.2224 6.85441 16.2661 5.91727 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 6.18486 9.93154 9.51866 5.87056 9.32448 6.00424 5.98086 5.87815 13.9889 11.5062 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 6.18486 9.93154 9.51866 9.84311 6.48027 10.7656 5.98086 5.87815 13.9889 11.0303 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 6.18486 9.93154 9.51866 8.85568 6.67321 10.3825 5.98086 5.87815 13.9889 7.95359 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 6.18486 9.18218 4.48529 5.87056 9.32448 9.76735 5.98086 5.87815 10.3595 11.5062 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 6.18486 9.18218 4.48529 9.84311 6.48027 5.10635 5.98086 5.87815 10.3595 11.0303 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 6.18486 9.18218 4.48529 8.85568 6.67321 8.86483 5.98086 5.87815 10.3595 7.95359 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.29203 7.62771 5.40359 8.03226 10.3871 6.54814 10.4401 6.66971 6.4398 12.8056 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.29203 7.80166 10.0191 8.03226 10.3871 14.388 10.4401 6.66971 7.32982 12.8056 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 7.62771 9.29203 5.40359 8.03226 6.54814 10.3871 10.4401 6.4398 6.66971 12.8056 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 7.62771 7.80166 10.1648 8.03226 6.54814 14.388 10.4401 6.4398 7.32982 12.8056 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 7.80166 9.29203 10.0191 8.03226 14.388 10.3871 10.4401 7.32982 6.66971 12.8056 numMergedOcc 0
26 mol 238 unq 5 iso 0 dist 7.80166 7.62771 10.1648 8.03226 14.388 6.54814 10.4401 7.32982 6.4398 12.8056 numMergedOcc 0
