0 mol 5 unq 0 iso 0 dist 8.51616 8.17911 7.64769 11.3339 8.31759 4.73885 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 8.51616 11.3339 8.31759 8.17911 7.64769 4.73885 numMergedOcc 0
2 mol 5 unq 1 iso 0 dist 8.67353 8.17911 8.68577 11.3339 8.13672 4.73885 numMergedOcc 0
3 mol 5 unq 1 iso 1 dist 8.67353 11.3339 8.13672 8.17911 8.68577 4.73885 numMergedOcc 0
4 mol 5 unq 2 iso 0 dist 5.64762 8.17911 9.70883 8.37288 9.65565 16.0393 numMergedOcc 0
5 mol 5 unq 2 iso 1 dist 5.64762 8.37288 9.65565 8.17911 9.70883 16.0393 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 9.41374 15.0747 8.53424 15.2677 7.08766 3.70336 numMergedOcc 0
7 mol 28 unq 0 iso 1 dist 9.41374 15.2677 7.08766 15.0747 8.53424 3.70336 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 9.41374 15.0747 8.53424 12.524 4.82199 5.1533 numMergedOcc 0
9 mol 28 unq 1 iso 1 dist 9.41374 12.524 4.82199 15.0747 8.53424 5.1533 numMergedOcc 0
10 mol 28 unq 1 iso 0 dist 9.41374 15.2677 7.08766 12.524 4.82199 3.0988 numMergedOcc 0
11 mol 28 unq 1 iso 1 dist 9.41374 12.524 4.82199 15.2677 7.08766 3.0988 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 7.83023 7.02956 5.31126 5.49918 4.49669 5.7147 numMergedOcc 0
13 mol 113 unq 0 iso 1 dist 7.83023 5.49918 4.49669 7.02956 5.31126 5.7147 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 7.83023 7.02956 5.31126 4.25595 6.00221 8.09465 numMergedOcc 0
15 mol 113 unq 1 iso 1 dist 7.83023 4.25595 6.00221 7.02956 5.31126 8.09465 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 7.83023 5.49918 4.49669 4.25595 6.00221 3.74304 numMergedOcc 0
17 mol 113 unq 1 iso 1 dist 7.83023 4.25595 6.00221 5.49918 4.49669 3.74304 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 7.95377 6.57889 5.10589 5.83343 4.63336 5.23644 numMergedOcc 0
19 mol 169 unq 0 iso 1 dist 7.95377 5.83343 4.63336 6.57889 5.10589 5.23644 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 7.95377 6.57889 5.10589 4.39759 6.10715 7.52063 numMergedOcc 0
21 mol 169 unq 1 iso 1 dist 7.95377 4.39759 6.10715 6.57889 5.10589 7.52063 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 7.95377 5.83343 4.63336 4.39759 6.10715 3.74306 numMergedOcc 0
23 mol 169 unq 1 iso 1 dist 7.95377 4.39759 6.10715 5.83343 4.63336 3.74306 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 6.90148 6.02214 7.25595 12.6188 9.94825 12.8007 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 6.90148 12.6188 9.94825 6.02214 7.25595 12.8007 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 6.30614 6.71348 7.25595 6.11153 9.94825 12.8007 numMergedOcc 0
27 mol 186 unq 1 iso 1 dist 6.30614 6.11153 9.94825 6.71348 7.25595 12.8007 numMergedOcc 0
28 mol 193 unq 0 iso 0 dist 9.00602 14.9939 8.30069 12.3973 8.83551 4.75086 numMergedOcc 0
29 mol 193 unq 0 iso 1 dist 9.00602 12.3973 8.83551 14.9939 8.30069 4.75086 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 6.3194 12.4828 7.85841 13.1705 9.20109 3.15539 numMergedOcc 0
31 mol 254 unq 0 iso 1 dist 6.3194 13.1705 9.20109 12.4828 7.85841 3.15539 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.81489 5.6331 7.8598 9.69447 8.25286 11.938 numMergedOcc 0
33 mol 266 unq 0 iso 1 dist 6.81489 9.69447 8.25286 5.6331 7.8598 11.938 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 8.79185 5.6331 7.80711 9.69447 9.9965 11.938 numMergedOcc 0
35 mol 266 unq 1 iso 1 dist 8.79185 9.69447 9.9965 5.6331 7.80711 11.938 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 4.00395 9.74668 7.98956 7.89714 5.86185 3.41319 numMergedOcc 0
37 mol 277 unq 0 iso 1 dist 4.00395 7.89714 5.86185 9.74668 7.98956 3.41319 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 4.00395 9.74668 7.98956 8.88494 6.79748 13.9697 numMergedOcc 0
39 mol 277 unq 1 iso 1 dist 4.00395 8.88494 6.79748 9.74668 7.98956 13.9697 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 4.00395 7.89714 5.86185 8.88494 6.79748 12.1514 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 4.00395 8.88494 6.79748 7.89714 5.86185 12.1514 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 4.68425 9.56182 7.98956 7.8548 5.86185 3.41319 numMergedOcc 0
43 mol 277 unq 2 iso 1 dist 4.68425 7.8548 5.86185 9.56182 7.98956 3.41319 numMergedOcc 0
44 mol 277 unq 3 iso 0 dist 4.68425 9.56182 7.98956 5.36271 6.79748 13.9697 numMergedOcc 0
45 mol 277 unq 3 iso 1 dist 4.68425 5.36271 6.79748 9.56182 7.98956 13.9697 numMergedOcc 0
46 mol 277 unq 3 iso 0 dist 4.68425 7.8548 5.86185 5.36271 6.79748 12.1514 numMergedOcc 0
47 mol 277 unq 3 iso 1 dist 4.68425 5.36271 6.79748 7.8548 5.86185 12.1514 numMergedOcc 0
48 mol 281 unq 0 iso 0 dist 3.81829 10.2903 7.90368 9.01939 6.69267 12.7734 numMergedOcc 0
49 mol 281 unq 0 iso 1 dist 3.81829 9.01939 6.69267 10.2903 7.90368 12.7734 numMergedOcc 0
50 mol 281 unq 1 iso 0 dist 4.64792 7.25409 5.33372 9.01939 6.56886 10.2487 numMergedOcc 0
51 mol 281 unq 1 iso 1 dist 4.64792 9.01939 6.56886 7.25409 5.33372 10.2487 numMergedOcc 0
52 mol 281 unq 2 iso 0 dist 4.69609 8.13312 7.90368 5.07206 6.69267 12.7734 numMergedOcc 0
53 mol 281 unq 2 iso 1 dist 4.69609 5.07206 6.69267 8.13312 7.90368 12.7734 numMergedOcc 0
54 mol 281 unq 3 iso 0 dist 6.33927 11.5417 5.33372 5.07206 6.56886 10.2487 numMergedOcc 0
55 mol 281 unq 3 iso 1 dist 6.33927 5.07206 6.56886 11.5417 5.33372 10.2487 numMergedOcc 0
56 mol 285 unq 0 iso 0 dist 6.82552 4.0507 5.88958 8.91965 7.78121 4.87372 numMergedOcc 0
57 mol 285 unq 0 iso 1 dist 6.82552 8.91965 7.78121 4.0507 5.88958 4.87372 numMergedOcc 0
