0 mol 11 unq 0 iso 0 dist 5.34687 7.54976 9.07476 10.2968 6.83186 9.46202 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.26736 7.42639 9.04534 10.0741 6.83186 9.26728 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.41374 5.28162 8.76224 15.0747 8.53424 11.7233 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.41374 5.28162 8.76224 15.2677 7.08766 13.0183 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 9.41374 5.28162 8.76224 12.524 4.82199 10.9699 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 6.60995 7.7103 9.00612 4.42586 7.23828 3.97053 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.83023 5.51269 7.96893 7.02956 5.31126 3.74516 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 7.83023 5.51269 7.96893 5.49918 4.49669 7.32784 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 7.83023 5.51269 7.96893 4.25595 6.00221 8.46561 numMergedOcc 0
9 mol 113 unq 3 iso 0 dist 6.49185 10.2613 7.08403 7.5374 7.02358 3.77247 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 7.95377 4.97176 7.78577 6.57889 5.10589 3.69097 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 7.95377 4.97176 7.78577 5.83343 4.63336 7.14832 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 7.95377 4.97176 7.78577 4.39759 6.10715 8.01356 numMergedOcc 0
13 mol 169 unq 3 iso 0 dist 6.7265 10.699 7.33643 7.73114 6.96715 3.89732 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.90148 13.8904 9.14525 6.02214 7.25595 13.1776 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.90148 13.8904 9.14525 12.6188 9.94825 4.10348 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 6.30614 7.34301 9.14525 6.71348 7.25595 13.1776 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 6.30614 7.34301 9.14525 6.11153 9.94825 4.10348 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 6.3194 11.0383 7.89302 12.4828 7.85841 5.81468 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 6.3194 11.0383 7.89302 13.1705 9.20109 8.51317 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 4.00395 5.66113 8.72101 9.74668 7.98956 14.313 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 4.00395 5.66113 8.72101 7.89714 5.86185 13.2017 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 4.00395 5.66113 8.72101 8.88494 6.79748 10.3346 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 4.00395 6.97425 5.11998 9.74668 7.98956 7.31817 numMergedOcc 0
24 mol 277 unq 4 iso 0 dist 4.00395 6.97425 5.11998 7.89714 5.86185 3.91224 numMergedOcc 0
25 mol 277 unq 5 iso 0 dist 4.00395 6.97425 5.11998 8.88494 6.79748 10.8296 numMergedOcc 0
26 mol 277 unq 6 iso 0 dist 4.57068 5.66113 8.75619 8.88494 6.53598 10.3346 numMergedOcc 0
27 mol 277 unq 7 iso 0 dist 4.57068 6.97425 5.79925 8.88494 6.53598 10.8296 numMergedOcc 0
28 mol 277 unq 8 iso 0 dist 4.57068 13.03 8.55906 8.88494 6.53598 8.55356 numMergedOcc 0
29 mol 277 unq 9 iso 0 dist 4.57068 7.13036 5.55523 8.88494 6.53598 10.7151 numMergedOcc 0
30 mol 277 unq 10 iso 0 dist 4.68425 12.286 8.72101 9.56182 7.98956 14.313 numMergedOcc 0
31 mol 277 unq 11 iso 0 dist 4.68425 12.286 8.72101 7.8548 5.86185 13.2017 numMergedOcc 0
32 mol 277 unq 12 iso 0 dist 4.68425 12.286 8.72101 5.36271 6.79748 10.3346 numMergedOcc 0
33 mol 277 unq 13 iso 0 dist 4.68425 7.39478 5.11998 9.56182 7.98956 7.31817 numMergedOcc 0
34 mol 277 unq 14 iso 0 dist 4.68425 7.39478 5.11998 7.8548 5.86185 3.91224 numMergedOcc 0
35 mol 277 unq 15 iso 0 dist 4.68425 7.39478 5.11998 5.36271 6.79748 10.8296 numMergedOcc 0
36 mol 277 unq 16 iso 0 dist 6.46232 12.286 8.75619 5.36271 6.53598 10.3346 numMergedOcc 0
37 mol 277 unq 17 iso 0 dist 6.46232 7.39478 5.79925 5.36271 6.53598 10.8296 numMergedOcc 0
38 mol 277 unq 18 iso 0 dist 6.46232 10.207 8.55906 5.36271 6.53598 8.55356 numMergedOcc 0
39 mol 277 unq 19 iso 0 dist 6.46232 11.97 5.55523 5.36271 6.53598 10.7151 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 3.81829 5.42822 6.82918 10.2903 7.90368 13.5758 numMergedOcc 0
41 mol 281 unq 1 iso 0 dist 3.81829 5.42822 6.82918 9.01939 6.69267 7.74065 numMergedOcc 0
42 mol 281 unq 2 iso 0 dist 4.64792 13.721 9.13909 7.25409 5.33372 9.85344 numMergedOcc 0
43 mol 281 unq 3 iso 0 dist 4.64792 13.721 9.13909 9.01939 6.56886 9.11195 numMergedOcc 0
44 mol 281 unq 4 iso 0 dist 4.64792 5.42822 4.29351 7.25409 5.33372 3.50686 numMergedOcc 0
45 mol 281 unq 5 iso 0 dist 4.64792 5.42822 4.29351 9.01939 6.56886 7.74065 numMergedOcc 0
46 mol 281 unq 6 iso 0 dist 4.69609 9.73159 6.82918 8.13312 7.90368 13.5758 numMergedOcc 0
47 mol 281 unq 7 iso 0 dist 4.69609 9.73159 6.82918 5.07206 6.69267 7.74065 numMergedOcc 0
48 mol 281 unq 8 iso 0 dist 6.33927 10.6133 9.13909 11.5417 5.33372 9.85344 numMergedOcc 0
49 mol 281 unq 9 iso 0 dist 6.33927 10.6133 9.13909 5.07206 6.56886 9.11195 numMergedOcc 0
50 mol 281 unq 10 iso 0 dist 6.33927 9.73159 4.29351 11.5417 5.33372 3.50686 numMergedOcc 0
51 mol 281 unq 11 iso 0 dist 6.33927 9.73159 4.29351 5.07206 6.56886 7.74065 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 6.82552 4.82304 6.73396 4.0507 5.88958 7.01472 numMergedOcc 0
53 mol 285 unq 1 iso 0 dist 6.82552 4.82304 6.73396 8.91965 7.78121 11.0045 numMergedOcc 0
