0 mol 26 unq 0 iso 0 dist 6.32127 4.56199 6.7142 10.8352 5.39199 8.96682 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.04708 9.18004 6.13351 11.0799 3.91611 5.27182 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.3797 12.0803 7.98985 14.4291 7.71726 5.7369 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 8.7389 7.7447 7.46095 13.3055 10.1364 9.59729 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 8.60172 10.5216 7.77089 19.3103 13.4342 9.17843 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 6.73172 8.43423 6.11407 13.2464 10.4943 7.31064 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.14007 6.48796 5.29898 11.6751 10.1551 7.92216 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.35397 12.017 6.65731 11.7388 10.0208 7.92216 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.90113 16.0614 8.33407 14.7049 4.8427 7.01095 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.11863 7.85099 7.58375 10.5972 7.81466 4.61596 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 5.92785 6.97246 7.58375 8.32647 7.81466 4.61596 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.38735 9.49267 6.56416 12.2277 3.87169 5.67168 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.38735 9.49267 6.56416 12.5242 5.97542 7.74579 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 9.38735 9.49267 6.56416 9.43325 5.65634 5.86483 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 8.51408 5.74211 6.22742 9.79945 5.45812 8.22795 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 5.87056 10.8814 9.18728 13.9156 8.62578 8.85955 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 5.87056 10.8814 9.18728 14.6265 10.5007 6.09335 numMergedOcc 0
17 mol 227 unq 2 iso 0 dist 9.84311 10.8814 8.91971 13.9156 15.624 8.85955 numMergedOcc 0
18 mol 227 unq 3 iso 0 dist 9.84311 10.8814 8.91971 14.6265 12.8337 6.09335 numMergedOcc 0
19 mol 227 unq 4 iso 0 dist 9.55881 15.3045 9.18728 16.3126 8.62578 8.85955 numMergedOcc 0
20 mol 227 unq 5 iso 0 dist 9.55881 15.3045 9.18728 18.6754 10.5007 6.09335 numMergedOcc 0
