0 mol 24 unq 0 iso 0 dist 6.6219 8.23075 10.1923 4.7841 9.92483 6.0925 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.6219 4.7841 9.92483 8.23075 10.1923 6.0925 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.68215 8.23075 9.24731 4.7841 3.53396 6.0925 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 5.68215 4.7841 3.53396 8.23075 9.24731 6.0925 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.17838 7.15542 3.3785 8.89047 9.71725 6.87266 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 9.17838 8.89047 9.71725 7.15542 3.3785 6.87266 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.17838 7.15542 3.3785 8.89003 7.56478 4.62605 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 9.17838 8.89003 7.56478 7.15542 3.3785 4.62605 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.17838 8.89047 9.71725 8.89003 7.56478 3.23184 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 9.17838 8.89003 7.56478 8.89047 9.71725 3.23184 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.69057 8.34191 11.7295 6.39747 5.77163 5.96988 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.69057 6.39747 5.77163 8.34191 11.7295 5.96988 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.85523 7.91148 6.99884 6.59794 3.75261 3.24688 numMergedOcc 0
13 mol 78 unq 0 iso 1 dist 6.85523 6.59794 3.75261 7.91148 6.99884 3.24688 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 6.85523 7.91148 6.99884 8.34957 10.6388 4.60796 numMergedOcc 0
15 mol 78 unq 1 iso 1 dist 6.85523 8.34957 10.6388 7.91148 6.99884 4.60796 numMergedOcc 0
16 mol 78 unq 1 iso 0 dist 6.85523 6.59794 3.75261 8.34957 10.6388 7.19832 numMergedOcc 0
17 mol 78 unq 1 iso 1 dist 6.85523 8.34957 10.6388 6.59794 3.75261 7.19832 numMergedOcc 0
18 mol 78 unq 2 iso 0 dist 5.77326 7.91148 4.75637 6.59794 5.62063 3.24688 numMergedOcc 0
19 mol 78 unq 2 iso 1 dist 5.77326 6.59794 5.62063 7.91148 4.75637 3.24688 numMergedOcc 0
20 mol 78 unq 3 iso 0 dist 5.77326 7.91148 4.75637 8.34957 3.81575 4.60796 numMergedOcc 0
21 mol 78 unq 3 iso 1 dist 5.77326 8.34957 3.81575 7.91148 4.75637 4.60796 numMergedOcc 0
22 mol 78 unq 3 iso 0 dist 5.77326 6.59794 5.62063 8.34957 3.81575 7.19832 numMergedOcc 0
23 mol 78 unq 3 iso 1 dist 5.77326 8.34957 3.81575 6.59794 5.62063 7.19832 numMergedOcc 0
24 mol 88 unq 0 iso 0 dist 7.80898 9.07128 9.11654 6.65615 10.8983 7.57886 numMergedOcc 0
25 mol 88 unq 0 iso 1 dist 7.80898 6.65615 10.8983 9.07128 9.11654 7.57886 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 8.80934 7.02367 3.52445 9.30832 10.4701 10.8127 numMergedOcc 0
27 mol 113 unq 0 iso 1 dist 8.80934 9.30832 10.4701 7.02367 3.52445 10.8127 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 6.69691 7.97548 9.74071 9.64164 6.92699 5.83342 numMergedOcc 0
29 mol 129 unq 0 iso 1 dist 6.69691 9.64164 6.92699 7.97548 9.74071 5.83342 numMergedOcc 0
30 mol 129 unq 1 iso 0 dist 5.51197 7.97548 9.87781 9.64164 9.93375 5.83342 numMergedOcc 0
31 mol 129 unq 1 iso 1 dist 5.51197 9.64164 9.93375 7.97548 9.87781 5.83342 numMergedOcc 0
32 mol 129 unq 2 iso 0 dist 8.86944 7.97548 13.8096 9.64164 11.221 5.83342 numMergedOcc 0
33 mol 129 unq 2 iso 1 dist 8.86944 9.64164 11.221 7.97548 13.8096 5.83342 numMergedOcc 0
34 mol 168 unq 0 iso 0 dist 6.02086 8.92592 3.5168 9.57452 5.43054 3.44823 numMergedOcc 0
35 mol 168 unq 0 iso 1 dist 6.02086 9.57452 5.43054 8.92592 3.5168 3.44823 numMergedOcc 0
36 mol 184 unq 0 iso 0 dist 8.97589 9.84566 6.68311 8.22001 3.88698 10.045 numMergedOcc 0
37 mol 184 unq 0 iso 1 dist 8.97589 8.22001 3.88698 9.84566 6.68311 10.045 numMergedOcc 0
38 mol 184 unq 1 iso 0 dist 5.96423 9.84566 9.71065 8.22001 3.30691 10.045 numMergedOcc 0
39 mol 184 unq 1 iso 1 dist 5.96423 8.22001 3.30691 9.84566 9.71065 10.045 numMergedOcc 0
40 mol 213 unq 0 iso 0 dist 8.22569 9.09354 10.3403 4.66576 5.45331 11.4531 numMergedOcc 0
41 mol 213 unq 0 iso 1 dist 8.22569 4.66576 5.45331 9.09354 10.3403 11.4531 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 6.71524 8.25985 3.43286 9.27788 5.45761 6.61868 numMergedOcc 0
43 mol 232 unq 0 iso 1 dist 6.71524 9.27788 5.45761 8.25985 3.43286 6.61868 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 9.35539 4.9764 13.2853 6.36559 12.4985 3.41319 numMergedOcc 0
45 mol 277 unq 0 iso 1 dist 9.35539 6.36559 12.4985 4.9764 13.2853 3.41319 numMergedOcc 0
46 mol 277 unq 1 iso 0 dist 8.9682 4.9764 5.9732 6.36559 8.61922 3.41319 numMergedOcc 0
47 mol 277 unq 1 iso 1 dist 8.9682 6.36559 8.61922 4.9764 5.9732 3.41319 numMergedOcc 0
48 mol 277 unq 2 iso 0 dist 6.92711 4.9764 3.79766 6.36559 7.07613 3.41319 numMergedOcc 0
49 mol 277 unq 2 iso 1 dist 6.92711 6.36559 7.07613 4.9764 3.79766 3.41319 numMergedOcc 0
50 mol 285 unq 0 iso 0 dist 7.80862 6.71946 10.2856 8.28061 8.89122 9.00617 numMergedOcc 0
51 mol 285 unq 0 iso 1 dist 7.80862 8.28061 8.89122 6.71946 10.2856 9.00617 numMergedOcc 0
52 mol 285 unq 1 iso 0 dist 7.80862 6.71946 10.2856 5.03601 4.98469 7.33055 numMergedOcc 0
53 mol 285 unq 1 iso 1 dist 7.80862 5.03601 4.98469 6.71946 10.2856 7.33055 numMergedOcc 0
54 mol 285 unq 1 iso 0 dist 7.80862 8.28061 8.89122 5.03601 4.98469 4.55612 numMergedOcc 0
55 mol 285 unq 1 iso 1 dist 7.80862 5.03601 4.98469 8.28061 8.89122 4.55612 numMergedOcc 0
56 mol 292 unq 0 iso 0 dist 9.46442 9.96374 3.08474 5.41432 7.07029 8.12358 numMergedOcc 0
57 mol 292 unq 0 iso 1 dist 9.46442 5.41432 7.07029 9.96374 3.08474 8.12358 numMergedOcc 0
58 mol 292 unq 1 iso 0 dist 7.30758 9.96374 6.12546 5.41432 5.21887 8.12358 numMergedOcc 0
59 mol 292 unq 1 iso 1 dist 7.30758 5.41432 5.21887 9.96374 6.12546 8.12358 numMergedOcc 0
60 mol 292 unq 2 iso 0 dist 7.20674 6.69619 8.76061 4.49592 9.42231 3.75963 numMergedOcc 0
61 mol 292 unq 2 iso 1 dist 7.20674 4.49592 9.42231 6.69619 8.76061 3.75963 numMergedOcc 0
62 mol 292 unq 3 iso 0 dist 8.38121 6.69619 12.1704 4.49592 11.9106 3.75963 numMergedOcc 0
63 mol 292 unq 3 iso 1 dist 8.38121 4.49592 11.9106 6.69619 12.1704 3.75963 numMergedOcc 0
64 mol 292 unq 4 iso 0 dist 9.5785 9.96374 12.0714 5.41432 5.33188 8.12358 numMergedOcc 0
65 mol 292 unq 4 iso 1 dist 9.5785 5.41432 5.33188 9.96374 12.0714 8.12358 numMergedOcc 0
66 mol 292 unq 5 iso 0 dist 9.76319 9.96374 12.7236 5.41432 8.5186 8.12358 numMergedOcc 0
67 mol 292 unq 5 iso 1 dist 9.76319 5.41432 8.5186 9.96374 12.7236 8.12358 numMergedOcc 0
