0 mol 11 unq 0 iso 0 dist 6.35398 8.01262 12.9584 10.7048 9.81983 18.4817 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35398 6.58046 6.51674 10.7048 9.81983 6.83186 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.01567 7.49157 13.4969 8.92779 7.03544 15.9479 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.01567 7.49157 13.4969 9.76111 6.93597 12.7806 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.01567 7.73794 13.9252 8.92779 7.03544 16.233 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.01567 7.73794 13.9252 9.76111 6.93597 15.0952 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.70827 8.23075 12.2271 13.0224 8.67426 17.0382 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.70827 4.7841 12.6431 13.0224 8.67426 17.1482 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 7.29868 7.49157 14.1137 13.7992 7.85986 21.2047 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 7.29868 7.49157 14.1137 8.92779 4.30252 15.9479 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 7.29868 7.73794 13.4584 13.7992 7.85986 20.7785 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 7.29868 7.73794 13.4584 8.92779 4.30252 16.233 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 5.9465 5.42067 5.09449 12.2908 6.89071 10.8202 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 6.97962 7.36435 5.09449 13.6054 6.89071 10.8202 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 7.02927 8.11702 11.1265 4.56372 5.54226 9.29327 numMergedOcc 0
15 mol 109 unq 1 iso 0 dist 7.02927 7.44558 9.63255 4.56372 5.54226 11.0867 numMergedOcc 0
16 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 15.3211 7.40338 9.75234 numMergedOcc 0
17 mol 113 unq 1 iso 0 dist 8.8822 9.30832 15.5674 15.3211 7.40338 19.5144 numMergedOcc 0
18 mol 113 unq 2 iso 0 dist 9.66219 7.02367 3.52111 13.0914 5.35711 7.02358 numMergedOcc 0
19 mol 113 unq 3 iso 0 dist 9.66219 7.02367 3.52111 15.3211 6.23759 9.75234 numMergedOcc 0
20 mol 113 unq 4 iso 0 dist 9.66219 9.30832 13.7232 13.0914 5.35711 13.6813 numMergedOcc 0
21 mol 113 unq 5 iso 0 dist 9.66219 9.30832 13.7232 15.3211 6.23759 19.5144 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 7.70232 7.78789 6.05048 4.46691 6.5788 9.02015 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 7.70232 7.42146 10.5934 4.46691 6.5788 11.2109 numMergedOcc 0
24 mol 117 unq 2 iso 0 dist 7.4671 7.78789 4.42665 4.46691 6.2771 9.02015 numMergedOcc 0
25 mol 117 unq 3 iso 0 dist 7.4671 7.42146 11.9806 4.46691 6.2771 11.2109 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 9.87644 9.3273 5.16197 6.80544 9.62774 5.60448 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 7.44629 8.92592 5.71136 12.7437 6.12453 8.89343 numMergedOcc 0
28 mol 168 unq 1 iso 0 dist 7.44629 8.92592 5.71136 14.4866 9.87447 12.6485 numMergedOcc 0
29 mol 168 unq 2 iso 0 dist 7.44629 9.57452 5.46307 12.7437 6.12453 9.52186 numMergedOcc 0
30 mol 168 unq 3 iso 0 dist 7.44629 9.57452 5.46307 14.4866 9.87447 14.0933 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 6.42735 9.84566 5.05856 5.03539 7.02762 11.2966 numMergedOcc 0
32 mol 184 unq 1 iso 0 dist 6.42735 8.22001 5.69882 5.03539 7.02762 8.53111 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 8.65535 9.52922 3.7326 12.8006 8.43182 5.10542 numMergedOcc 0
34 mol 198 unq 0 iso 0 dist 6.34616 6.77156 4.73496 4.27652 8.78623 10.6266 numMergedOcc 0
35 mol 198 unq 1 iso 0 dist 6.34616 7.97894 4.97547 4.27652 8.78623 10.0094 numMergedOcc 0
36 mol 198 unq 2 iso 0 dist 6.34616 8.08471 5.92533 4.27652 8.78623 7.38825 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 5.44002 7.13783 4.76454 4.30308 7.13824 9.29842 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 4.8668 9.31158 9.43113 7.35363 7.75318 16.1183 numMergedOcc 0
39 mol 206 unq 0 iso 0 dist 6.16414 4.51255 9.36584 4.46135 7.9416 6.80296 numMergedOcc 0
40 mol 206 unq 1 iso 0 dist 7.75885 6.23183 9.36584 3.56132 7.9416 6.80296 numMergedOcc 0
41 mol 213 unq 0 iso 0 dist 7.37798 8.82761 15.5804 4.71943 9.34602 8.24178 numMergedOcc 0
42 mol 213 unq 1 iso 0 dist 7.73322 8.82761 6.78109 4.67313 8.59946 9.71831 numMergedOcc 0
43 mol 213 unq 2 iso 0 dist 8.14332 9.09354 13.1121 7.49785 8.59946 14.9013 numMergedOcc 0
44 mol 213 unq 3 iso 0 dist 8.14332 4.66576 6.78109 7.49785 8.59946 9.71831 numMergedOcc 0
45 mol 237 unq 0 iso 0 dist 9.20822 9.7255 12.5736 7.00249 8.95332 11.9653 numMergedOcc 0
46 mol 278 unq 0 iso 0 dist 6.62841 5.35705 10.5492 9.26354 8.1769 12.1796 numMergedOcc 0
47 mol 278 unq 1 iso 0 dist 6.62841 5.35705 10.5492 5.33325 7.1656 9.32042 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 8.91712 9.18744 3.96271 13.2948 9.25759 12.9723 numMergedOcc 0
49 mol 287 unq 1 iso 0 dist 9.65934 5.30118 5.39801 3.65199 9.25759 4.68668 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.91712 9.18744 3.96271 13.2948 9.25759 12.9723 numMergedOcc 0
51 mol 288 unq 1 iso 0 dist 9.65934 5.30118 5.39801 3.65199 9.25759 4.68668 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 8.91712 9.18744 3.96271 13.2948 9.25759 12.9723 numMergedOcc 0
53 mol 289 unq 1 iso 0 dist 9.65934 5.30118 5.39801 3.65199 9.25759 4.68668 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 7.07965 6.69619 8.31265 7.22011 5.91617 11.8025 numMergedOcc 0
55 mol 292 unq 1 iso 0 dist 7.07965 4.49592 5.06937 7.22011 5.91617 8.07775 numMergedOcc 0
