0 mol 20 unq 0 iso 0 dist 8.71628 9.24986 8.19827 11.6563 4.49303 7.47395 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.16769 10.0645 8.61815 13.3026 8.50202 4.75881 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.07918 13.7485 5.61151 17.984 10.803 6.67137 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 9.07918 13.7485 5.61151 10.4888 5.49707 9.78707 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 9.07918 15.3996 6.54289 20.5676 11.6623 7.07839 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 9.07918 15.3996 6.54289 17.984 10.803 7.04244 numMergedOcc 0
6 mol 85 unq 4 iso 0 dist 9.07918 15.3996 6.54289 24.4821 15.6048 9.09711 numMergedOcc 0
7 mol 85 unq 5 iso 0 dist 9.07918 15.3996 6.54289 22.471 13.4097 7.91193 numMergedOcc 0
8 mol 85 unq 6 iso 0 dist 9.07918 15.3996 6.54289 10.4888 5.49707 9.63449 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.94447 4.8668 5.45882 6.36631 5.09579 4.49669 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.94447 4.8668 5.45882 6.24308 5.46299 5.88896 numMergedOcc 0
11 mol 113 unq 2 iso 0 dist 8.94447 8.60367 4.57487 6.36631 5.09579 6.00221 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 4.80429 4.88386 6.8984 14.4201 14.229 9.71831 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 6.38872 4.88386 7.77553 14.4201 14.9475 9.71831 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.20906 4.26898 7.72298 9.57294 6.05252 7.96338 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 8.20906 4.26898 7.72298 7.93054 4.00138 7.42759 numMergedOcc 0
16 mol 254 unq 0 iso 0 dist 9.16587 5.5598 7.23916 12.4782 6.19835 7.85841 numMergedOcc 0
17 mol 254 unq 1 iso 0 dist 9.16587 3.71879 6.12653 12.4782 6.19835 9.20109 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 6.29389 3.43932 5.30187 4.54064 5.91135 6.48099 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 9.26654 7.60311 9.94612 7.8046 14.4804 7.90368 numMergedOcc 0
20 mol 281 unq 1 iso 0 dist 9.26654 7.60311 9.94612 11.1901 6.83942 6.69267 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.70062 9.73619 5.50067 10.7004 8.99193 4.68668 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.70062 9.73619 5.50067 10.7004 8.99193 4.68668 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.70062 9.73619 5.50067 10.7004 8.99193 4.68668 numMergedOcc 0
