0 mol 26 unq 0 iso 0 dist 9.61029 6.32127 10.9837 9.77186 8.44506 9.5053 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.28463 7.24775 14.3929 14.2929 19.9619 7.45532 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.16036 9.52676 4.55437 9.32021 7.52117 7.03307 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 6.38454 4.79949 6.66954 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 6.16378 7.12017 9.5669 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.91446 6.6157 7.16919 5.69359 10.8066 9.5669 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 5.69359 7.12017 9.5669 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 12.468 13.6135 9.77017 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.65229 6.73172 5.39346 12.468 8.729 9.77017 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.64856 8.74658 6.26504 6.53994 10.5099 5.56627 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 9.64856 8.74658 6.26504 13.4383 13.9687 8.50562 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 6.38977 8.74658 7.7567 6.53994 8.86329 5.56627 numMergedOcc 0
12 mol 131 unq 3 iso 0 dist 6.38977 8.74658 7.7567 13.4383 11.4206 8.50562 numMergedOcc 0
13 mol 131 unq 4 iso 0 dist 9.69757 8.74658 8.23791 6.53994 8.71039 5.56627 numMergedOcc 0
14 mol 131 unq 5 iso 0 dist 9.69757 8.74658 8.23791 13.4383 6.92648 8.50562 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 4.93035 9.14007 7.42649 5.74529 6.69515 6.94988 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.75558 9.14007 9.43674 5.74529 7.86572 6.94988 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 6.09526 11.6563 7.11785 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 6.09526 6.51749 7.11785 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 9.14827 11.2087 8.52103 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 6.64506 5.21339 9.09988 8.34009 14.9239 9.76411 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 10.2224 6.85441 5.91727 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 10.2224 16.2661 5.91727 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.92185 8.37652 6.37513 7.45292 13.2106 8.88664 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.93154 8.85568 10.3825 5.98086 13.9889 7.95359 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 9.18218 8.85568 8.86483 5.98086 10.3595 7.95359 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 6.18486 8.85568 6.67321 5.98086 5.87815 7.95359 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 9.67078 13.1352 5.93798 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 5.37783 7.77998 8.15091 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 14.5125 7.77998 8.15091 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 9.58494 8.60481 9.96924 9.21229 15.7374 7.21972 numMergedOcc 0
