0 mol 9 unq 0 iso 0 dist 8.57077 9.62394 9.5997 11.0722 8.83269 8.076 6.33889 11.4878 6.0397 9.82483 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 6.00575 6.60423 9.69752 9.75144 5.39241 5.90981 8.62284 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 6.00575 6.60423 9.36461 9.75144 5.39241 13.719 8.62284 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 5.97304 6.60423 9.36461 12.4274 5.39241 13.719 8.62284 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.38394 8.60554 12.3994 5.97304 9.0934 9.36461 12.4274 7.84982 13.719 8.62284 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 17.4067 14.156 9.36461 20.8959 16.6402 13.719 8.62284 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 7.36323 8.4051 13.2229 17.4067 20.2475 9.36461 20.8959 24.3982 13.719 8.62284 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 11.177 15.5985 9.17466 10.6048 13.7307 6.76585 8.11094 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 14.206 13.2004 9.13191 13.0127 12.1776 6.08911 6.82089 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 9.28393 7.96646 6.73735 14.206 13.2004 9.13191 17.1695 13.9379 10.0581 5.38314 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.40312 9.90168 7.7567 9.32969 11.4206 8.50562 11.0153 9.0479 12.6448 9.39683 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 7.12972 9.90168 8.23791 9.32969 6.92648 8.50562 11.0153 4.89973 12.6448 9.39683 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 6.85062 9.90168 13.7237 9.32969 9.29384 8.50562 11.0153 7.00551 12.6448 9.39683 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 6.57069 9.77896 8.29015 11.3554 12.6297 5.89564 11.3137 11.0415 4.30489 7.01126 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 5.98885 9.72611 5.6044 5.93488 6.51749 7.11785 7.20046 5.4601 9.87435 7.345 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 5.98885 9.72611 5.6044 5.93488 6.51749 7.11785 7.13543 10.0524 14.6648 9.52987 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.09537 9.72611 12.9468 5.93488 7.20392 7.11785 7.20046 6.14208 9.87435 7.345 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 9.09537 9.72611 12.9468 5.93488 7.20392 7.11785 7.13543 5.95965 14.6648 9.52987 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.00034 9.01021 10.0842 5.66732 10.2163 5.0804 7.39747 6.26168 5.2908 7.18771 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 7.00034 9.01021 10.0842 5.66732 10.2163 5.0804 8.1777 5.39146 5.91881 7.94894 numMergedOcc 0
20 mol 248 unq 0 iso 0 dist 9.56569 7.16525 4.30004 6.71566 6.77954 7.97135 13.4601 5.59351 9.5697 8.42446 numMergedOcc 0
21 mol 278 unq 0 iso 0 dist 8.44326 8.00673 4.97614 6.54009 10.8604 7.21972 12.9186 13.354 11.3687 9.80746 numMergedOcc 0
22 mol 278 unq 1 iso 0 dist 8.44326 8.00673 4.97614 6.54009 10.8604 7.21972 6.35287 6.07447 7.83538 9.48589 numMergedOcc 0
