0 mol 20 unq 0 iso 0 dist 8.71628 5.06894 5.9809 11.6563 4.49303 7.99756 9.24986 8.19827 4.7579 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.71628 9.95303 5.83917 11.6563 4.49303 4.36087 9.24986 8.19827 3.21365 7.47395 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 8.16769 6.9246 6.016 13.3026 8.50202 6.52283 10.0645 8.61815 3.41186 4.75881 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 8.50453 6.9246 8.38156 13.3026 12.0023 6.52283 10.0645 10.5494 3.41186 4.75881 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.74716 8.09738 8.38156 13.9663 12.0023 6.52283 10.2683 10.5494 3.41186 4.75881 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.46609 3.62638 7.95451 11.6661 6.85428 8.71074 10.2302 12.0508 7.18877 7.7485 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.94447 11.2557 5.29949 6.24308 5.46299 9.60127 5.86518 9.69937 13.8379 7.16619 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 8.94447 11.2557 5.29949 6.24308 5.46299 9.60127 4.8668 5.45882 8.39067 5.88896 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 8.20906 5.055 9.58372 9.57294 6.05252 7.70062 12.7192 14.0046 7.87816 8.66082 numMergedOcc 0
9 mol 214 unq 1 iso 0 dist 8.20906 5.055 9.58372 9.57294 6.05252 7.70062 4.26898 7.72298 3.64285 7.96338 numMergedOcc 0
10 mol 214 unq 2 iso 0 dist 8.20906 5.055 9.58372 7.93054 4.00138 7.66702 4.26898 7.72298 3.64285 7.42759 numMergedOcc 0
11 mol 254 unq 0 iso 0 dist 9.16587 13.0023 9.66641 12.4782 6.19835 5.6417 5.5598 7.23916 8.8967 7.85841 numMergedOcc 0
12 mol 254 unq 1 iso 0 dist 9.16587 13.0023 9.66641 12.4782 6.19835 5.6417 3.71879 6.12653 10.929 9.20109 numMergedOcc 0
13 mol 254 unq 2 iso 0 dist 9.16587 12.1584 9.26575 12.4782 6.19835 7.42831 5.5598 7.23916 9.42679 7.85841 numMergedOcc 0
14 mol 254 unq 3 iso 0 dist 9.16587 12.1584 9.26575 12.4782 6.19835 7.42831 3.71879 6.12653 10.706 9.20109 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 6.29389 12.978 8.5613 11.0968 6.03233 9.73217 9.77348 10.0128 15.6308 8.62655 numMergedOcc 0
16 mol 260 unq 1 iso 0 dist 9.50619 9.31424 5.7791 5.33881 7.66564 9.73217 12.1108 14.7837 15.6308 8.62655 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.7004 8.99193 4.93516 9.73619 5.50067 3.66473 4.68668 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.7004 8.99193 4.93516 9.73619 5.50067 3.66473 4.68668 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.70062 9.8719 8.59762 10.7004 8.99193 4.93516 9.73619 5.50067 3.66473 4.68668 numMergedOcc 0
