0 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 7.88072 3.90342 9.52037 4.83638 9.11745 13.1097 9.63882 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.204 8.37503 11.4088 7.88072 3.90342 9.52037 5.2103 4.62145 10.8573 6.87277 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 5.43913 13.4515 3.63758 5.39197 12.4931 7.15542 8.65524 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.53081 5.36645 12.299 5.43913 13.4515 3.63758 9.53255 18.5842 8.89047 8.96151 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 9.53081 5.36645 12.299 5.43913 13.4515 3.63758 7.75132 16.4784 8.89003 9.02535 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 5.39197 12.4931 7.15542 8.22812 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 9.53255 18.5842 8.89047 4.22002 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 7.75132 16.4784 8.89003 5.77855 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 14.2848 23.1176 13.1859 8.10774 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 9.53081 5.36645 12.299 8.26877 17.6258 6.88863 12.4977 20.7168 9.21413 6.5241 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 9.57893 9.40291 13.4419 8.14245 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 12.6437 10.6705 12.9762 6.36817 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 12.0687 13.4464 15.9912 8.0812 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 7.88988 7.94814 11.4393 4.17933 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 5.06188 8.89758 4.6365 8.10222 6.4561 8.42491 8.00934 9.55632 12.9043 5.54893 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 5.91098 8.58474 3.69293 11.6853 9.50939 10.985 7.66068 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 7.48127 4.83274 10.6009 5.91098 8.58474 3.69293 15.0489 13.4154 12.8435 9.5043 numMergedOcc 0
17 mol 76 unq 2 iso 0 dist 7.48127 4.83274 10.6009 5.91098 8.58474 3.69293 14.2393 15.0873 10.6942 8.34132 numMergedOcc 0
18 mol 122 unq 0 iso 0 dist 8.9864 9.69673 9.33442 4.821 7.33765 8.5619 5.74569 14.2264 14.5674 8.565 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 5.40826 7.5984 9.02772 5.33772 3.66518 6.75249 5.08025 6.38786 8.99891 4.3855 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 4.36421 7.77535 7.98893 9.53899 13.6384 11.4905 6.49466 10.5407 13.0289 7.42759 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 8.01593 3.86973 10.043 4.45276 9.62914 12.7396 9.47092 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 6.45473 7.54586 4.99605 6.33954 5.16057 4.6374 6.51471 9.49634 9.59773 5.58222 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 4.1545 9.21484 13.7583 5.11865 9.07744 9.54359 7.98956 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 8.15119 9.84188 10.2486 4.25172 10.3506 13.6433 5.11865 9.07744 9.54359 5.86185 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 8.15119 8.35794 7.94155 4.1545 9.21484 11.8607 5.11865 9.07744 5.69112 7.98956 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 8.15119 8.35794 7.94155 4.25172 10.3506 10.9137 5.11865 9.07744 5.69112 5.86185 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.74965 8.08993 4.76222 8.2236 11.8933 14.4667 8.4652 15.0399 16.2783 5.6964 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 7.74965 7.34344 13.4636 8.2236 11.8933 12.4957 8.4652 15.0399 10.0727 5.6964 numMergedOcc 0
