0 mol 54 unq 0 iso 0 dist 9.5915 4.38047 12.377 12.1383 18.5922 9.20373 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 9.3664 6.49521 11.3868 5.19847 8.46495 5.65212 numMergedOcc 0
2 mol 74 unq 1 iso 0 dist 9.3664 6.49521 11.3868 9.16965 18.1033 9.48373 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.16403 7.7913 10.4698 13.8441 16.3723 6.48163 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.59503 7.7913 4.1125 13.8441 4.98783 6.48163 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 7.84249 6.09626 6.62328 4.59061 9.28645 7.03339 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.72434 8.4733 13.0801 9.90172 12.38 8.05937 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 7.10223 5.60184 9.10645 5.55349 8.5081 5.76862 numMergedOcc 0
8 mol 154 unq 1 iso 0 dist 7.10223 7.08477 4.02111 5.55349 8.5081 5.92763 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 7.7264 7.81715 4.04072 7.9441 10.849 8.68243 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 5.97401 12.187 8.30857 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.75545 5.66363 5.18154 7.56512 9.81693 9.99409 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.86645 5.97968 5.18154 8.66681 9.81693 9.99409 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 9.37229 7.04477 13.3145 12.8829 17.5632 6.82883 numMergedOcc 0
14 mol 226 unq 1 iso 0 dist 9.37229 7.04477 13.3145 14.6433 21.386 8.22518 numMergedOcc 0
15 mol 226 unq 2 iso 0 dist 9.37229 7.04477 13.3145 7.06868 14.8783 6.02803 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 9.06304 9.73592 4.73615 9.31629 7.44436 8.76329 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 5.06669 8.08939 4.38246 8.71894 8.19381 5.60146 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 5.06669 8.08939 4.38246 5.36127 7.35657 9.80249 numMergedOcc 0
19 mol 244 unq 2 iso 0 dist 5.65248 7.33574 4.38246 8.52699 8.19381 5.60146 numMergedOcc 0
20 mol 244 unq 3 iso 0 dist 5.65248 7.33574 4.38246 11.2736 7.35657 9.80249 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.35169 6.68863 9.58852 4.41308 7.40069 9.55425 numMergedOcc 0
