0 mol 76 unq 0 iso 0 dist 8.7389 7.7447 7.46095 10.1235 4.85247 6.72869 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 8.7389 7.7447 7.46095 12.2281 6.45686 9.85905 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 8.60172 10.5216 7.77089 18.111 11.0132 9.16718 numMergedOcc 0
3 mol 105 unq 1 iso 0 dist 8.60172 10.5216 7.77089 15.6867 9.96719 7.94633 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.73172 7.35282 8.72725 7.63658 5.76986 9.05166 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 6.73172 8.43423 6.11407 7.63658 5.76986 5.56994 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.14007 6.48796 5.29898 4.93035 7.42649 8.07097 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 9.90113 16.0614 8.33407 19.9985 10.1865 7.45998 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 9.63679 14.2661 9.42807 18.7708 12.9045 6.02086 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.11863 7.85099 7.58375 10.5459 8.08596 5.96423 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 5.92785 6.97246 7.58375 10.8079 8.08596 5.96423 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.38735 9.90173 6.88127 10.5412 10.5063 7.2793 numMergedOcc 0
12 mol 188 unq 0 iso 0 dist 7.47937 6.96531 8.66624 12.8076 8.77113 7.88013 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.21588 6.6094 9.48625 7.92766 5.86489 7.9133 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 5.87056 10.8814 9.18728 10.7118 6.35849 5.23634 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 5.87056 10.8814 9.18728 13.6059 10.204 6.91318 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 9.84311 10.8814 8.91971 10.7118 10.9607 5.23634 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 9.84311 10.8814 8.91971 13.6059 9.72615 6.91318 numMergedOcc 0
18 mol 227 unq 4 iso 0 dist 9.55881 15.3045 9.18728 14.829 6.35849 5.23634 numMergedOcc 0
19 mol 227 unq 5 iso 0 dist 9.55881 15.3045 9.18728 19.0804 10.204 6.91318 numMergedOcc 0
