0 mol 42 unq 0 iso 0 dist 8.23258 11.9681 9.82536 20.3598 14.514 9.83301 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.31237 6.3708 8.13248 6.63924 6.0901 8.93438 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 6.99793 9.74115 7.91231 6.15949 7.65733 9.26301 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 8.64107 4.97528 6.61066 9.60865 6.07331 5.2929 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 8.64107 4.97528 6.61066 5.91786 7.09627 6.17589 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 9.50575 4.97528 6.3982 9.60865 5.3967 5.2929 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 9.50575 4.97528 6.3982 5.91786 7.10772 6.17589 numMergedOcc 0
7 mol 115 unq 4 iso 0 dist 8.43116 10.0493 6.3982 12.6771 5.3967 5.2929 numMergedOcc 0
8 mol 115 unq 5 iso 0 dist 8.43116 10.0493 6.3982 12.4366 7.10772 6.17589 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 7.95671 4.16381 9.64123 6.4413 5.34721 6.17633 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 8.12659 4.19097 9.72257 6.62609 5.38822 6.20295 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 9.66837 8.47485 8.45117 10.2589 8.38978 6.06276 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.77347 6.72843 5.47189 10.1736 12.5982 7.17789 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.48196 5.36235 4.94074 10.6501 10.2837 9.06221 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 5.77925 5.70162 6.0087 10.5189 5.27568 7.73969 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 6.26533 5.44976 5.16581 7.63329 5.54149 9.91996 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 6.95233 9.07546 8.82941 14.0372 9.7281 8.78501 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 6.95233 9.07546 8.82941 6.20998 5.98169 5.59641 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 7.23956 13.4588 6.86014 10.6227 7.44724 9.60879 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 7.23956 13.4588 6.86014 12.3059 5.77904 6.92271 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 7.23956 6.34637 5.97073 12.3059 5.77904 8.62666 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 9.91518 17.7311 8.62414 13.5786 4.7203 4.86518 numMergedOcc 0
22 mol 281 unq 0 iso 0 dist 9.37845 8.46058 8.32692 6.81536 5.81338 5.53313 numMergedOcc 0
