0 mol 20 unq 0 iso 0 dist 8.71628 5.06894 5.9809 9.24986 8.19827 4.7579 11.6563 4.49303 7.99756 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.71628 9.95303 5.83917 9.24986 8.19827 3.21365 11.6563 4.49303 4.36087 7.47395 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.16769 6.9246 6.016 10.0645 8.61815 3.41186 13.3026 8.50202 6.52283 4.75881 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 8.94447 11.2557 5.29949 4.8668 5.45882 8.39067 6.36631 5.09579 9.92079 4.49669 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 8.94447 11.2557 5.29949 4.8668 5.45882 8.39067 6.24308 5.46299 9.60127 5.88896 numMergedOcc 0
5 mol 113 unq 2 iso 0 dist 8.94447 11.2557 5.29949 8.60367 4.57487 7.44033 6.36631 5.09579 9.92079 6.00221 numMergedOcc 0
6 mol 213 unq 0 iso 0 dist 4.80429 5.36933 8.65196 4.88386 6.8984 6.12056 14.4201 14.229 14.5549 9.71831 numMergedOcc 0
7 mol 213 unq 1 iso 0 dist 6.38872 5.36933 5.461 4.88386 7.77553 6.12056 14.4201 14.9475 14.5549 9.71831 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 8.20906 5.055 9.58372 4.26898 7.72298 3.64285 9.57294 6.05252 7.70062 7.96338 numMergedOcc 0
9 mol 214 unq 1 iso 0 dist 8.20906 5.055 9.58372 4.26898 7.72298 3.64285 7.93054 4.00138 7.66702 7.42759 numMergedOcc 0
10 mol 254 unq 0 iso 0 dist 9.16587 13.0023 9.66641 5.5598 7.23916 8.8967 12.4782 6.19835 5.6417 7.85841 numMergedOcc 0
11 mol 254 unq 1 iso 0 dist 9.16587 13.0023 9.66641 3.71879 6.12653 10.929 12.4782 6.19835 5.6417 9.20109 numMergedOcc 0
12 mol 254 unq 2 iso 0 dist 9.16587 12.1584 9.26575 5.5598 7.23916 9.42679 12.4782 6.19835 7.42831 7.85841 numMergedOcc 0
13 mol 254 unq 3 iso 0 dist 9.16587 12.1584 9.26575 3.71879 6.12653 10.706 12.4782 6.19835 7.42831 9.20109 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 6.29389 12.978 8.5613 3.43932 5.30187 10.6938 4.54064 5.91135 14.3252 6.48099 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 8.70062 9.8719 8.59762 9.73619 5.50067 3.66473 10.7004 8.99193 4.93516 4.68668 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 8.70062 9.8719 8.59762 9.73619 5.50067 3.66473 10.7004 8.99193 4.93516 4.68668 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 8.70062 9.8719 8.59762 9.73619 5.50067 3.66473 10.7004 8.99193 4.93516 4.68668 numMergedOcc 0
