0 mol 24 unq 0 iso 0 dist 6.80849 14.0145 9.90845 14.1707 8.60554 14.9821 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.80849 14.0145 9.90845 6.3045 8.44664 13.0288 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.80849 14.0145 9.90845 9.47767 9.44691 18.8056 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 12.8271 8.95682 10.7304 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.13476 12.423 6.59893 9.53962 7.21717 8.02105 numMergedOcc 0
5 mol 54 unq 1 iso 0 dist 6.13476 9.45804 5.59773 9.53962 7.21717 7.93241 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 8.07716 9.01453 9.35818 8.96904 5.65974 4.37357 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 5.78829 6.45693 9.35818 4.39576 5.65974 4.37357 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 5.45787 6.97518 7.29462 5.35819 9.01852 4.70778 numMergedOcc 0
9 mol 108 unq 1 iso 0 dist 5.45787 6.97518 7.29462 6.01187 9.75958 11.386 numMergedOcc 0
10 mol 108 unq 2 iso 0 dist 5.45787 4.62224 5.4057 5.35819 9.01852 6.76634 numMergedOcc 0
11 mol 108 unq 3 iso 0 dist 5.45787 4.62224 5.4057 6.01187 9.75958 6.17742 numMergedOcc 0
12 mol 122 unq 0 iso 0 dist 8.054 5.27855 8.33083 4.4646 9.23819 7.09391 numMergedOcc 0
13 mol 122 unq 1 iso 0 dist 8.054 5.27855 8.33083 5.97096 8.88537 10.4589 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 8.93581 7.96646 7.91054 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 7.94863 12.3068 9.91643 8.93581 7.96646 11.6197 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.53153 6.6767 9.48243 5.42142 9.97654 11.7748 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 6.90813 4.86466 8.76218 6.07412 8.87569 10.886 numMergedOcc 0
18 mol 174 unq 1 iso 0 dist 6.90813 4.86466 8.76218 7.20832 9.87122 11.8159 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 7.23126 13.7733 6.76923 7.68725 6.86319 9.91514 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 7.82805 12.3428 6.76923 9.74385 6.86319 9.91514 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 9.14737 15.3424 8.64255 14.372 7.50013 4.91904 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 9.14737 15.3424 8.64255 14.6749 5.81233 7.59634 numMergedOcc 0
23 mol 197 unq 2 iso 0 dist 9.14737 15.3424 8.64255 5.9589 6.92924 10.3181 numMergedOcc 0
24 mol 197 unq 3 iso 0 dist 9.14737 15.3424 8.64255 9.27427 7.14306 14.2718 numMergedOcc 0
25 mol 198 unq 0 iso 0 dist 9.98332 13.3321 6.47339 11.5325 6.34616 5.47473 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 8.48081 11.6202 4.58599 12.2528 8.14332 11.5146 numMergedOcc 0
27 mol 213 unq 1 iso 0 dist 8.48081 15.8119 8.78568 12.2528 8.14332 10.693 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 7.83102 10.5845 8.1498 4.40079 6.71375 7.43256 numMergedOcc 0
