0 mol 11 unq 0 iso 0 dist 5.96346 8.68293 13.5125 6.84216 6.76736 14.8738 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.96346 6.84216 6.76736 8.68293 13.5125 14.8738 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 4.30695 8.01262 6.03873 6.58046 8.84131 13.3327 numMergedOcc 0
3 mol 11 unq 1 iso 1 dist 4.30695 6.58046 8.84131 8.01262 6.03873 13.3327 numMergedOcc 0
4 mol 11 unq 2 iso 0 dist 6.35398 8.01262 12.9584 6.58046 6.51674 13.3327 numMergedOcc 0
5 mol 11 unq 2 iso 1 dist 6.35398 6.58046 6.51674 8.01262 12.9584 13.3327 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 7.33768 7.49157 7.02381 7.73794 7.18485 4.10458 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 7.33768 7.73794 7.18485 7.49157 7.02381 4.10458 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 9.01567 7.49157 13.4969 7.73794 13.9252 4.10458 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 9.01567 7.73794 13.9252 7.49157 13.4969 4.10458 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.70827 8.23075 12.2271 4.7841 12.6431 6.0925 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 8.70827 4.7841 12.6431 8.23075 12.2271 6.0925 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 6.73939 8.23075 12.2839 4.7841 6.22954 6.0925 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 6.73939 4.7841 6.22954 8.23075 12.2839 6.0925 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 7.29868 7.49157 14.1137 7.73794 13.4584 4.10458 numMergedOcc 0
15 mol 24 unq 4 iso 1 dist 7.29868 7.73794 13.4584 7.49157 14.1137 4.10458 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 7.02927 8.11702 11.1265 7.44558 9.63255 9.99088 numMergedOcc 0
17 mol 109 unq 0 iso 1 dist 7.02927 7.44558 9.63255 8.11702 11.1265 9.99088 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 6.60933 8.11702 6.57741 7.44558 4.0719 9.99088 numMergedOcc 0
19 mol 109 unq 1 iso 1 dist 6.60933 7.44558 4.0719 8.11702 6.57741 9.99088 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 8.8822 7.02367 5.40648 9.30832 15.5674 10.8127 numMergedOcc 0
21 mol 113 unq 0 iso 1 dist 8.8822 9.30832 15.5674 7.02367 5.40648 10.8127 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 9.66219 7.02367 3.52111 9.30832 13.7232 10.8127 numMergedOcc 0
23 mol 113 unq 1 iso 1 dist 9.66219 9.30832 13.7232 7.02367 3.52111 10.8127 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 6.97707 4.76974 8.16155 8.0336 11.4853 3.66281 numMergedOcc 0
25 mol 115 unq 0 iso 1 dist 6.97707 8.0336 11.4853 4.76974 8.16155 3.66281 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 7.70232 7.78789 6.05048 7.42146 10.5934 9.77711 numMergedOcc 0
27 mol 117 unq 0 iso 1 dist 7.70232 7.42146 10.5934 7.78789 6.05048 9.77711 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 7.4671 7.78789 4.42665 7.42146 11.9806 9.77711 numMergedOcc 0
29 mol 117 unq 1 iso 1 dist 7.4671 7.42146 11.9806 7.78789 4.42665 9.77711 numMergedOcc 0
30 mol 163 unq 0 iso 0 dist 9.07943 9.90947 9.82832 8.16252 9.10855 3.25368 numMergedOcc 0
31 mol 163 unq 0 iso 1 dist 9.07943 8.16252 9.10855 9.90947 9.82832 3.25368 numMergedOcc 0
32 mol 168 unq 0 iso 0 dist 7.44629 8.92592 5.71136 9.57452 5.46307 3.44823 numMergedOcc 0
33 mol 168 unq 0 iso 1 dist 7.44629 9.57452 5.46307 8.92592 5.71136 3.44823 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 6.42735 9.84566 5.05856 8.22001 5.69882 10.045 numMergedOcc 0
35 mol 184 unq 0 iso 1 dist 6.42735 8.22001 5.69882 9.84566 5.05856 10.045 numMergedOcc 0
36 mol 198 unq 0 iso 0 dist 6.34616 6.77156 4.73496 7.97894 4.97547 5.53445 numMergedOcc 0
37 mol 198 unq 0 iso 1 dist 6.34616 7.97894 4.97547 6.77156 4.73496 5.53445 numMergedOcc 0
38 mol 198 unq 1 iso 0 dist 6.34616 6.77156 4.73496 8.08471 5.92533 10.4205 numMergedOcc 0
39 mol 198 unq 1 iso 1 dist 6.34616 8.08471 5.92533 6.77156 4.73496 10.4205 numMergedOcc 0
40 mol 198 unq 1 iso 0 dist 6.34616 7.97894 4.97547 8.08471 5.92533 8.69074 numMergedOcc 0
41 mol 198 unq 1 iso 1 dist 6.34616 8.08471 5.92533 7.97894 4.97547 8.69074 numMergedOcc 0
42 mol 213 unq 0 iso 0 dist 8.14332 9.09354 13.1121 4.66576 6.78109 11.4531 numMergedOcc 0
43 mol 213 unq 0 iso 1 dist 8.14332 4.66576 6.78109 9.09354 13.1121 11.4531 numMergedOcc 0
44 mol 218 unq 0 iso 0 dist 6.1951 6.1896 5.34495 6.09255 3.83106 6.94905 numMergedOcc 0
45 mol 218 unq 0 iso 1 dist 6.1951 6.09255 3.83106 6.1896 5.34495 6.94905 numMergedOcc 0
46 mol 231 unq 0 iso 0 dist 7.79066 9.9868 10.5016 7.3268 4.02097 13.1222 numMergedOcc 0
47 mol 231 unq 0 iso 1 dist 7.79066 7.3268 4.02097 9.9868 10.5016 13.1222 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 9.05071 8.25985 12.159 9.27788 8.36223 6.61868 numMergedOcc 0
49 mol 232 unq 0 iso 1 dist 9.05071 9.27788 8.36223 8.25985 12.159 6.61868 numMergedOcc 0
50 mol 258 unq 0 iso 0 dist 7.6595 7.12221 4.97531 5.4557 7.26991 8.40845 numMergedOcc 0
51 mol 258 unq 0 iso 1 dist 7.6595 5.4557 7.26991 7.12221 4.97531 8.40845 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 8.87028 9.96374 8.33171 5.41432 4.36814 8.12358 numMergedOcc 0
53 mol 292 unq 0 iso 1 dist 8.87028 5.41432 4.36814 9.96374 8.33171 8.12358 numMergedOcc 0
54 mol 292 unq 1 iso 0 dist 7.07965 6.69619 8.31265 4.49592 5.06937 3.75963 numMergedOcc 0
55 mol 292 unq 1 iso 1 dist 7.07965 4.49592 5.06937 6.69619 8.31265 3.75963 numMergedOcc 0
