0 mol 19 unq 0 iso 0 dist 6.10339 4.44441 8.96634 4.51865 4.13497 7.7312 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.4228 16.7341 9.74724 21.542 13.0651 6.09002 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.80127 6.7846 7.18124 5.54419 7.6222 8.23075 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.80127 8.03955 6.47026 5.54419 7.6222 4.7841 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.48457 13.2846 7.18124 13.2433 7.6222 8.23075 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.48457 12.3897 6.47026 13.2433 7.6222 4.7841 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 6.4687 8.0518 5.70283 12.3759 8.57859 5.51927 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 6.67147 8.0518 7.16741 12.3759 11.453 5.51927 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.77199 10.3737 7.67463 11.3023 6.62562 9.01812 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.81824 8.37717 7.67463 7.95579 6.62562 9.01812 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 9.54952 6.27514 9.06249 10.3436 4.79268 7.74064 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 5.82487 7.84907 6.13175 15.0169 10.3188 8.99912 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.1671 3.824 9.43682 6.44653 4.98499 6.42623 numMergedOcc 0
13 mol 120 unq 1 iso 0 dist 8.1671 4.96885 8.0564 6.44653 4.98499 8.95899 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 8.86966 4.73288 7.78215 5.87555 8.18329 7.59457 numMergedOcc 0
15 mol 152 unq 1 iso 0 dist 8.86966 4.73288 7.78215 6.70283 5.97115 9.00072 numMergedOcc 0
16 mol 152 unq 2 iso 0 dist 8.86966 4.73288 7.78215 8.67331 4.36394 7.55419 numMergedOcc 0
17 mol 152 unq 3 iso 0 dist 5.7527 4.70284 7.78215 8.87437 8.18329 7.59457 numMergedOcc 0
18 mol 152 unq 4 iso 0 dist 5.7527 4.70284 7.78215 7.16148 5.97115 9.00072 numMergedOcc 0
19 mol 152 unq 5 iso 0 dist 5.7527 4.70284 7.78215 8.05741 4.36394 7.55419 numMergedOcc 0
20 mol 157 unq 0 iso 0 dist 7.52643 4.54378 5.32542 9.25027 3.8758 8.10592 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 9.48488 8.36443 9.67872 11.4903 5.05715 7.93088 numMergedOcc 0
22 mol 178 unq 0 iso 0 dist 8.4173 4.69387 6.53017 6.69288 4.43082 4.72821 numMergedOcc 0
23 mol 178 unq 1 iso 0 dist 6.55543 7.39705 6.53017 7.17202 4.43082 4.72821 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 9.62822 4.94346 7.51798 13.4144 6.13816 9.4629 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 7.03546 9.1131 7.51798 12.5958 6.13816 9.4629 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 7.31553 6.63423 5.45266 7.37839 6.58152 7.3268 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.48298 9.93981 8.63893 12.6348 5.8401 8.55044 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 8.25636 8.94298 9.74797 13.1795 6.79513 9.07995 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.89057 6.3912 7.8605 9.80196 6.40962 6.71946 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 7.97266 12.3871 7.8605 11.3643 6.40962 6.71946 numMergedOcc 0
