0 mol 11 unq 0 iso 0 dist 6.35398 8.01262 12.9584 10.7048 9.81983 18.4817 6.58046 6.51674 13.3327 6.83186 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 7.29868 7.49157 14.1137 13.7992 7.85986 21.2047 12.2872 9.63925 19.2467 8.25818 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.29868 7.73794 13.4584 13.7992 7.85986 20.7785 12.2872 9.63925 17.9566 8.25818 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 5.9465 5.42067 5.09449 12.2908 6.89071 10.8202 12.1221 9.18008 9.08385 8.10623 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 6.97962 7.36435 5.09449 13.6054 6.89071 10.8202 15.3733 9.18008 9.08385 8.10623 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 7.02927 8.11702 11.1265 4.56372 5.54226 9.29327 10.2832 5.5693 10.241 9.51764 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 7.02927 7.44558 9.63255 4.56372 5.54226 11.0867 10.2832 5.5693 10.0283 9.51764 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 7.02927 7.44558 9.63255 4.56372 5.54226 11.0867 8.11702 11.1265 9.99088 9.29327 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 15.3211 7.40338 9.75234 15.0024 6.29259 11.0417 5.31126 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 8.8822 7.02367 5.40648 15.3211 7.40338 9.75234 15.7347 7.08122 11.77 7.16619 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 8.8822 9.30832 15.5674 15.3211 7.40338 19.5144 15.0024 6.29259 21.4411 5.31126 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 8.8822 9.30832 15.5674 15.3211 7.40338 19.5144 15.7347 7.08122 22.454 7.16619 numMergedOcc 0
12 mol 113 unq 4 iso 0 dist 9.66219 7.02367 3.52111 15.3211 6.23759 9.75234 15.0024 8.17309 11.0417 5.31126 numMergedOcc 0
13 mol 113 unq 5 iso 0 dist 9.66219 7.02367 3.52111 15.3211 6.23759 9.75234 15.7347 9.30967 11.77 7.16619 numMergedOcc 0
14 mol 113 unq 6 iso 0 dist 9.66219 9.30832 13.7232 13.0914 5.35711 13.6813 7.02367 3.52111 10.8127 7.02358 numMergedOcc 0
15 mol 113 unq 7 iso 0 dist 9.66219 9.30832 13.7232 15.3211 6.23759 19.5144 15.0024 8.17309 21.4411 5.31126 numMergedOcc 0
16 mol 113 unq 8 iso 0 dist 9.66219 9.30832 13.7232 15.3211 6.23759 19.5144 15.7347 9.30967 22.454 7.16619 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 7.70232 7.42146 10.5934 4.46691 6.5788 11.2109 7.78789 6.05048 9.77711 9.02015 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 7.4671 7.42146 11.9806 4.46691 6.2771 11.2109 7.78789 4.42665 9.77711 9.02015 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 7.44629 8.92592 5.71136 12.7437 6.12453 8.89343 15.6838 8.8681 8.38976 5.86767 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 7.44629 8.92592 5.71136 12.7437 6.12453 8.89343 11.0423 3.73181 6.81049 5.28353 numMergedOcc 0
21 mol 168 unq 2 iso 0 dist 7.44629 9.57452 5.46307 12.7437 6.12453 9.52186 15.6838 8.8681 8.62142 5.86767 numMergedOcc 0
22 mol 168 unq 3 iso 0 dist 7.44629 9.57452 5.46307 12.7437 6.12453 9.52186 11.0423 3.73181 5.50898 5.28353 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 8.65535 9.52922 3.7326 12.8006 8.43182 5.10542 11.7672 7.29209 3.78714 4.68722 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 6.34616 6.77156 4.73496 4.27652 8.78623 10.6266 8.08471 5.92533 10.4205 7.38825 numMergedOcc 0
25 mol 198 unq 1 iso 0 dist 6.34616 7.97894 4.97547 4.27652 8.78623 10.0094 8.08471 5.92533 8.69074 7.38825 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 7.37798 8.82761 15.5804 4.71943 9.34602 8.24178 10.5407 11.5458 11.4531 7.93317 numMergedOcc 0
27 mol 213 unq 1 iso 0 dist 8.14332 9.09354 13.1121 7.49785 8.59946 14.9013 4.66576 6.78109 11.4531 9.71831 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 8.91712 9.18744 3.96271 13.2948 9.25759 12.9723 10.1296 5.39801 9.30266 4.68668 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.91712 9.18744 3.96271 13.2948 9.25759 12.9723 10.1296 5.39801 9.30266 4.68668 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 8.91712 9.18744 3.96271 13.2948 9.25759 12.9723 10.1296 5.39801 9.30266 4.68668 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 7.07965 6.69619 8.31265 7.22011 5.91617 11.8025 4.49592 5.06937 3.75963 8.07775 numMergedOcc 0
