0 mol 5 unq 0 iso 0 dist 8.51616 9.94723 6.84403 8.17911 7.64769 6.46777 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.51616 9.94723 6.84403 11.3339 8.31759 3.82801 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.67353 9.94723 5.18743 8.17911 8.68577 6.46777 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.67353 9.94723 5.18743 11.3339 8.13672 3.82801 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 5.34687 5.74653 9.76233 10.2968 6.83186 11.8533 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 8.54309 7.36475 7.32472 5.3031 4.75881 4.61111 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.43668 6.20419 5.91023 11.7522 6.5816 5.90092 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 4.62343 5.8461 5.91023 5.10714 6.5816 5.90092 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 7.83023 11.6782 6.38269 7.02956 5.31126 10.3017 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 7.83023 11.6782 6.38269 5.49918 4.49669 10.3632 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 7.83023 11.6782 6.38269 4.25595 6.00221 9.86085 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 6.49185 12.2157 9.27028 7.5374 7.02358 16.2029 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 7.95377 9.69917 6.18165 6.57889 5.10589 6.5732 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 7.95377 9.69917 6.18165 5.83343 4.63336 4.14139 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 7.95377 9.69917 6.18165 4.39759 6.10715 7.73206 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 5.65561 9.84667 7.82717 6.02214 4.87942 4.32488 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 6.90148 9.84667 8.19926 6.02214 7.25595 4.32488 numMergedOcc 0
17 mol 186 unq 2 iso 0 dist 6.90148 9.84667 8.19926 12.6188 9.94825 12.1543 numMergedOcc 0
18 mol 186 unq 3 iso 0 dist 6.30614 6.8508 8.19926 6.71348 7.25595 4.32488 numMergedOcc 0
19 mol 186 unq 4 iso 0 dist 6.30614 6.8508 8.19926 6.11153 9.94825 12.1543 numMergedOcc 0
20 mol 193 unq 0 iso 0 dist 9.00602 12.4801 9.28442 14.9939 8.30069 6.06113 numMergedOcc 0
21 mol 193 unq 1 iso 0 dist 9.00602 12.4801 9.28442 12.3973 8.83551 3.45561 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.56474 6.08771 6.9943 9.69447 6.96692 4.58167 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 6.81489 6.08771 7.36685 5.6331 7.8598 7.98379 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 6.81489 6.08771 7.36685 9.69447 8.25286 4.58167 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 8.79185 14.8369 9.20906 5.6331 7.80711 10.0526 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 8.79185 14.8369 9.20906 9.69447 9.9965 16.8584 numMergedOcc 0
27 mol 266 unq 5 iso 0 dist 8.79185 6.08771 9.03099 5.6331 7.80711 7.98379 numMergedOcc 0
28 mol 266 unq 6 iso 0 dist 8.79185 6.08771 9.03099 9.69447 9.9965 4.58167 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 4.00395 8.6133 7.34927 9.74668 7.98956 9.69757 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 4.00395 8.6133 7.34927 7.89714 5.86185 10.2113 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 4.00395 8.6133 7.34927 8.88494 6.79748 8.92993 numMergedOcc 0
32 mol 277 unq 3 iso 0 dist 4.00395 11.3653 7.54315 9.74668 7.98956 7.55695 numMergedOcc 0
33 mol 277 unq 4 iso 0 dist 4.00395 11.3653 7.54315 7.89714 5.86185 6.26644 numMergedOcc 0
34 mol 277 unq 5 iso 0 dist 4.00395 11.3653 7.54315 8.88494 6.79748 10.4453 numMergedOcc 0
35 mol 277 unq 6 iso 0 dist 4.57068 10.0339 7.88615 8.88494 6.53598 10.6003 numMergedOcc 0
36 mol 277 unq 7 iso 0 dist 4.68425 7.99195 7.34927 9.56182 7.98956 9.69757 numMergedOcc 0
37 mol 277 unq 8 iso 0 dist 4.68425 7.99195 7.34927 7.8548 5.86185 10.2113 numMergedOcc 0
38 mol 277 unq 9 iso 0 dist 4.68425 7.99195 7.34927 5.36271 6.79748 8.92993 numMergedOcc 0
39 mol 277 unq 10 iso 0 dist 4.68425 5.12474 7.54315 9.56182 7.98956 7.55695 numMergedOcc 0
40 mol 277 unq 11 iso 0 dist 4.68425 5.12474 7.54315 7.8548 5.86185 6.26644 numMergedOcc 0
41 mol 277 unq 12 iso 0 dist 4.68425 5.12474 7.54315 5.36271 6.79748 10.4453 numMergedOcc 0
42 mol 277 unq 13 iso 0 dist 6.46232 13.4947 7.88615 5.36271 6.53598 10.6003 numMergedOcc 0
43 mol 281 unq 0 iso 0 dist 3.81829 6.21208 8.78416 10.2903 7.90368 16.2332 numMergedOcc 0
44 mol 281 unq 1 iso 0 dist 3.81829 6.21208 8.78416 9.01939 6.69267 10.564 numMergedOcc 0
45 mol 281 unq 2 iso 0 dist 3.81829 9.14658 7.82358 10.2903 7.90368 12.9503 numMergedOcc 0
46 mol 281 unq 3 iso 0 dist 3.81829 9.14658 7.82358 9.01939 6.69267 9.45924 numMergedOcc 0
47 mol 281 unq 4 iso 0 dist 4.64792 6.21208 9.22428 7.25409 5.33372 9.75261 numMergedOcc 0
48 mol 281 unq 5 iso 0 dist 4.64792 6.21208 9.22428 9.01939 6.56886 10.564 numMergedOcc 0
49 mol 281 unq 6 iso 0 dist 4.64792 10.3821 7.95687 7.25409 5.33372 3.73592 numMergedOcc 0
50 mol 281 unq 7 iso 0 dist 4.64792 10.3821 7.95687 9.01939 6.56886 10.8606 numMergedOcc 0
51 mol 281 unq 8 iso 0 dist 4.69609 12.332 8.78416 8.13312 7.90368 16.2332 numMergedOcc 0
52 mol 281 unq 9 iso 0 dist 4.69609 12.332 8.78416 5.07206 6.69267 10.564 numMergedOcc 0
53 mol 281 unq 10 iso 0 dist 4.69609 8.5021 7.82358 8.13312 7.90368 12.9503 numMergedOcc 0
54 mol 281 unq 11 iso 0 dist 4.69609 8.5021 7.82358 5.07206 6.69267 9.45924 numMergedOcc 0
55 mol 281 unq 12 iso 0 dist 6.33927 12.332 9.22428 11.5417 5.33372 9.75261 numMergedOcc 0
56 mol 281 unq 13 iso 0 dist 6.33927 12.332 9.22428 5.07206 6.56886 10.564 numMergedOcc 0
57 mol 281 unq 14 iso 0 dist 6.33927 13.4112 7.95687 11.5417 5.33372 3.73592 numMergedOcc 0
58 mol 281 unq 15 iso 0 dist 6.33927 13.4112 7.95687 5.07206 6.56886 10.8606 numMergedOcc 0
