0 mol 11 unq 0 iso 0 dist 6.35398 8.01262 12.9584 6.58046 6.51674 13.3327 10.7048 9.81983 18.4817 6.83186 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 6.35398 6.58046 6.51674 8.01262 12.9584 13.3327 10.7048 9.81983 6.83186 18.4817 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.01567 7.49157 13.4969 7.73794 13.9252 4.10458 8.92779 7.03544 15.9479 16.233 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.01567 7.73794 13.9252 7.49157 13.4969 4.10458 8.92779 7.03544 16.233 15.9479 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.01567 7.49157 13.4969 7.73794 13.9252 4.10458 9.76111 6.93597 12.7806 15.0952 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.01567 7.73794 13.9252 7.49157 13.4969 4.10458 9.76111 6.93597 15.0952 12.7806 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.70827 8.23075 12.2271 4.7841 12.6431 6.0925 13.0224 8.67426 17.0382 17.1482 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 8.70827 4.7841 12.6431 8.23075 12.2271 6.0925 13.0224 8.67426 17.1482 17.0382 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 7.29868 7.49157 14.1137 7.73794 13.4584 4.10458 13.7992 7.85986 21.2047 20.7785 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 7.29868 7.73794 13.4584 7.49157 14.1137 4.10458 13.7992 7.85986 20.7785 21.2047 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 7.29868 7.49157 14.1137 7.73794 13.4584 4.10458 8.92779 4.30252 15.9479 16.233 numMergedOcc 0
11 mol 24 unq 4 iso 1 dist 7.29868 7.73794 13.4584 7.49157 14.1137 4.10458 8.92779 4.30252 16.233 15.9479 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.02927 8.11702 11.1265 7.44558 9.63255 9.99088 4.56372 5.54226 9.29327 11.0867 numMergedOcc 0
13 mol 109 unq 0 iso 1 dist 7.02927 7.44558 9.63255 8.11702 11.1265 9.99088 4.56372 5.54226 11.0867 9.29327 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 9.30832 15.5674 10.8127 15.3211 7.40338 9.75234 19.5144 numMergedOcc 0
15 mol 113 unq 0 iso 1 dist 8.8822 9.30832 15.5674 7.02367 5.40648 10.8127 15.3211 7.40338 19.5144 9.75234 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 9.66219 7.02367 3.52111 9.30832 13.7232 10.8127 13.0914 5.35711 7.02358 13.6813 numMergedOcc 0
17 mol 113 unq 1 iso 1 dist 9.66219 9.30832 13.7232 7.02367 3.52111 10.8127 13.0914 5.35711 13.6813 7.02358 numMergedOcc 0
18 mol 113 unq 2 iso 0 dist 9.66219 7.02367 3.52111 9.30832 13.7232 10.8127 15.3211 6.23759 9.75234 19.5144 numMergedOcc 0
19 mol 113 unq 2 iso 1 dist 9.66219 9.30832 13.7232 7.02367 3.52111 10.8127 15.3211 6.23759 19.5144 9.75234 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 7.70232 7.78789 6.05048 7.42146 10.5934 9.77711 4.46691 6.5788 9.02015 11.2109 numMergedOcc 0
21 mol 117 unq 0 iso 1 dist 7.70232 7.42146 10.5934 7.78789 6.05048 9.77711 4.46691 6.5788 11.2109 9.02015 numMergedOcc 0
22 mol 117 unq 1 iso 0 dist 7.4671 7.78789 4.42665 7.42146 11.9806 9.77711 4.46691 6.2771 9.02015 11.2109 numMergedOcc 0
23 mol 117 unq 1 iso 1 dist 7.4671 7.42146 11.9806 7.78789 4.42665 9.77711 4.46691 6.2771 11.2109 9.02015 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 7.44629 8.92592 5.71136 9.57452 5.46307 3.44823 12.7437 6.12453 8.89343 9.52186 numMergedOcc 0
25 mol 168 unq 0 iso 1 dist 7.44629 9.57452 5.46307 8.92592 5.71136 3.44823 12.7437 6.12453 9.52186 8.89343 numMergedOcc 0
26 mol 168 unq 1 iso 0 dist 7.44629 8.92592 5.71136 9.57452 5.46307 3.44823 14.4866 9.87447 12.6485 14.0933 numMergedOcc 0
27 mol 168 unq 1 iso 1 dist 7.44629 9.57452 5.46307 8.92592 5.71136 3.44823 14.4866 9.87447 14.0933 12.6485 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 6.42735 9.84566 5.05856 8.22001 5.69882 10.045 5.03539 7.02762 11.2966 8.53111 numMergedOcc 0
29 mol 184 unq 0 iso 1 dist 6.42735 8.22001 5.69882 9.84566 5.05856 10.045 5.03539 7.02762 8.53111 11.2966 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 6.34616 6.77156 4.73496 7.97894 4.97547 5.53445 4.27652 8.78623 10.6266 10.0094 numMergedOcc 0
31 mol 198 unq 0 iso 1 dist 6.34616 7.97894 4.97547 6.77156 4.73496 5.53445 4.27652 8.78623 10.0094 10.6266 numMergedOcc 0
32 mol 198 unq 1 iso 0 dist 6.34616 6.77156 4.73496 8.08471 5.92533 10.4205 4.27652 8.78623 10.6266 7.38825 numMergedOcc 0
33 mol 198 unq 1 iso 1 dist 6.34616 8.08471 5.92533 6.77156 4.73496 10.4205 4.27652 8.78623 7.38825 10.6266 numMergedOcc 0
34 mol 198 unq 1 iso 0 dist 6.34616 7.97894 4.97547 8.08471 5.92533 8.69074 4.27652 8.78623 10.0094 7.38825 numMergedOcc 0
35 mol 198 unq 1 iso 1 dist 6.34616 8.08471 5.92533 7.97894 4.97547 8.69074 4.27652 8.78623 7.38825 10.0094 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 8.14332 9.09354 13.1121 4.66576 6.78109 11.4531 7.49785 8.59946 14.9013 9.71831 numMergedOcc 0
37 mol 213 unq 0 iso 1 dist 8.14332 4.66576 6.78109 9.09354 13.1121 11.4531 7.49785 8.59946 9.71831 14.9013 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 7.07965 6.69619 8.31265 4.49592 5.06937 3.75963 7.22011 5.91617 11.8025 8.07775 numMergedOcc 0
39 mol 292 unq 0 iso 1 dist 7.07965 4.49592 5.06937 6.69619 8.31265 3.75963 7.22011 5.91617 8.07775 11.8025 numMergedOcc 0
