0 mol 26 unq 0 iso 0 dist 9.74242 12.5403 9.53735 14.2434 10.797 9.15677 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.74242 12.6057 9.34599 14.2434 10.797 9.61029 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.61335 10.5197 7.24775 17.7716 14.3929 8.28463 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.63526 5.12242 5.39827 13.3165 9.23414 8.60577 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.9724 12.7667 8.14607 17.222 9.12845 6.6606 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.14582 6.05632 8.57012 13.3075 13.3881 8.22406 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.33276 14.2921 8.22984 17.6136 9.75737 5.09688 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.33276 11.9339 6.6157 13.7717 7.16919 9.91446 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.33276 11.9339 6.6157 17.6136 9.75737 9.26343 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 9.74064 16.0597 9.47346 18.712 9.02568 9.26057 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.03852 11.8146 9.14007 11.5041 7.42649 4.93035 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.03852 11.8146 9.14007 15.194 9.43674 9.75558 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 8.97069 12.6229 9.14007 11.6996 7.42649 4.93035 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 8.97069 12.6229 9.14007 16.4067 9.43674 9.75558 numMergedOcc 0
14 mol 196 unq 0 iso 0 dist 4.83135 10.8398 6.67699 12.4307 8.50224 6.60651 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.51913 14.2818 8.07237 17.3058 7.8472 8.3035 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 8.81874 5.45929 8.37652 6.82584 6.37513 8.92185 numMergedOcc 0
17 mol 222 unq 1 iso 0 dist 9.55314 9.05489 8.37652 14.641 6.37513 8.92185 numMergedOcc 0
