0 mol 5 unq 0 iso 0 dist 6.84403 6.46777 7.64769 3.82801 8.31759 4.73885 5.18743 3.50411 8.68577 8.13672 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 6.46777 7.64769 3.82801 8.31759 4.73885 9.34574 4.84696 9.70883 11.5358 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.84403 3.82801 8.31759 6.46777 7.64769 4.73885 5.18743 3.50411 8.13672 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.18743 6.46777 8.68577 3.82801 8.13672 4.73885 6.84403 3.50411 7.64769 8.31759 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 5.18743 6.46777 8.68577 3.82801 8.13672 4.73885 9.34574 5.30421 9.70883 11.5358 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 5.18743 3.82801 8.13672 6.46777 8.68577 4.73885 6.84403 3.50411 8.31759 7.64769 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.75749 5.2891 6.96722 8.85486 7.50925 6.91034 9.65686 5.72008 7.61085 11.9491 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.61514 10.8634 6.67137 15.0522 9.78707 15.509 8.21116 2.58673 7.04244 9.63449 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.61514 15.0522 9.78707 10.8634 6.67137 15.509 8.21116 2.58673 9.63449 7.04244 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.21116 10.8634 7.04244 13.6965 7.07839 10.1082 7.61514 2.58673 6.67137 9.52926 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.21116 10.8634 7.04244 10.513 9.09711 10.1757 7.61514 2.58673 6.67137 10.9264 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.21116 10.8634 7.04244 12.6759 7.91193 11.3346 7.61514 2.58673 6.67137 10.4386 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.21116 10.8634 7.04244 15.0522 9.63449 15.509 7.61514 2.58673 6.67137 9.78707 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 8.21116 15.0522 9.63449 13.6965 7.07839 12.8332 7.61514 2.58673 9.78707 9.52926 numMergedOcc 0
14 mol 85 unq 7 iso 0 dist 8.21116 15.0522 9.63449 10.513 9.09711 17.7038 7.61514 2.58673 9.78707 10.9264 numMergedOcc 0
15 mol 85 unq 8 iso 0 dist 8.21116 15.0522 9.63449 10.8634 7.04244 15.509 7.61514 2.58673 9.78707 6.67137 numMergedOcc 0
16 mol 85 unq 9 iso 0 dist 8.21116 15.0522 9.63449 12.6759 7.91193 14.2704 7.61514 2.58673 9.78707 10.4386 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.00481 9.83939 5.31126 9.2752 7.16619 2.75715 12.7706 5.7147 4.49669 5.88896 numMergedOcc 0
18 mol 113 unq 1 iso 0 dist 9.00481 9.83939 5.31126 9.2752 7.16619 2.75715 15.5024 8.09465 6.00221 7.84239 numMergedOcc 0
19 mol 113 unq 2 iso 0 dist 9.00481 9.2752 7.16619 9.83939 5.31126 2.75715 12.7706 5.7147 5.88896 4.49669 numMergedOcc 0
20 mol 113 unq 3 iso 0 dist 6.38269 10.3017 5.31126 10.3632 4.49669 5.7147 7.11196 2.75715 7.16619 5.88896 numMergedOcc 0
21 mol 113 unq 4 iso 0 dist 6.38269 10.3017 5.31126 9.86085 6.00221 8.09465 7.11196 2.75715 7.16619 7.84239 numMergedOcc 0
22 mol 113 unq 5 iso 0 dist 6.38269 10.3632 4.49669 10.3017 5.31126 5.7147 7.11196 2.75715 5.88896 7.16619 numMergedOcc 0
23 mol 113 unq 6 iso 0 dist 6.38269 10.3632 4.49669 9.86085 6.00221 3.74304 7.11196 2.75715 5.88896 7.84239 numMergedOcc 0
24 mol 113 unq 7 iso 0 dist 7.11196 10.3017 7.16619 10.3632 5.88896 5.7147 6.38269 2.75715 5.31126 4.49669 numMergedOcc 0
25 mol 113 unq 8 iso 0 dist 7.11196 10.3632 5.88896 10.3017 7.16619 5.7147 6.38269 2.75715 4.49669 5.31126 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 8.31527 5.79975 7.84207 12.8646 8.56947 8.68088 7.64841 5.26524 6.98791 11.3644 numMergedOcc 0
27 mol 120 unq 1 iso 0 dist 7.64841 5.79975 6.98791 5.37018 9.31385 5.7181 8.31527 5.26524 7.84207 11.8836 numMergedOcc 0
28 mol 123 unq 0 iso 0 dist 7.49032 11.4019 8.03692 5.04742 8.78115 8.77423 14.9057 10.2185 5.56127 13.5017 numMergedOcc 0
29 mol 123 unq 1 iso 0 dist 7.49032 11.4019 8.03692 5.04742 8.78115 8.77423 15.9261 13.0033 5.36214 12.1434 numMergedOcc 0
30 mol 123 unq 2 iso 0 dist 7.04627 8.90549 8.03692 5.02162 8.78115 8.77423 11.7928 10.2185 5.56127 13.5017 numMergedOcc 0
31 mol 123 unq 3 iso 0 dist 7.04627 8.90549 8.03692 5.02162 8.78115 8.77423 13.6512 13.0033 5.36214 12.1434 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 8.19926 4.32488 7.25595 12.1543 9.94825 12.8007 7.82717 6.13455 4.87942 14.922 numMergedOcc 0
33 mol 194 unq 0 iso 0 dist 6.6747 11.2635 4.68722 10.5989 5.18325 5.61057 8.10451 3.78714 5.10542 7.52366 numMergedOcc 0
34 mol 194 unq 1 iso 0 dist 6.28412 5.18799 4.68722 4.45047 5.18325 5.61057 9.07241 3.78714 5.10542 7.52366 numMergedOcc 0
35 mol 266 unq 0 iso 0 dist 7.36685 7.98379 7.8598 4.58167 8.25286 11.938 9.03099 3.00605 7.80711 9.9965 numMergedOcc 0
36 mol 266 unq 1 iso 0 dist 7.36685 4.58167 8.25286 7.98379 7.8598 11.938 6.9943 5.76129 6.96692 10.9313 numMergedOcc 0
37 mol 266 unq 2 iso 0 dist 7.36685 4.58167 8.25286 7.98379 7.8598 11.938 9.03099 3.00605 9.9965 7.80711 numMergedOcc 0
38 mol 266 unq 3 iso 0 dist 9.20906 10.0526 7.80711 16.8584 9.9965 11.938 11.936 3.00605 7.8598 8.25286 numMergedOcc 0
39 mol 266 unq 4 iso 0 dist 9.20906 16.8584 9.9965 10.0526 7.80711 11.938 17.4571 8.75066 6.96692 10.9313 numMergedOcc 0
40 mol 266 unq 5 iso 0 dist 9.20906 16.8584 9.9965 10.0526 7.80711 11.938 11.936 3.00605 8.25286 7.8598 numMergedOcc 0
41 mol 266 unq 6 iso 0 dist 9.03099 7.98379 7.80711 4.58167 9.9965 11.938 7.36685 3.00605 7.8598 8.25286 numMergedOcc 0
42 mol 266 unq 7 iso 0 dist 9.03099 4.58167 9.9965 7.98379 7.80711 11.938 6.9943 8.75066 6.96692 10.9313 numMergedOcc 0
43 mol 266 unq 8 iso 0 dist 9.03099 4.58167 9.9965 7.98379 7.80711 11.938 7.36685 3.00605 8.25286 7.8598 numMergedOcc 0
44 mol 277 unq 0 iso 0 dist 7.34927 8.92993 6.79748 9.69757 7.98956 13.9697 10.4568 3.75238 6.53598 11.2004 numMergedOcc 0
45 mol 277 unq 1 iso 0 dist 7.34927 8.92993 6.79748 10.2113 5.86185 12.1514 10.4568 3.75238 6.53598 8.41856 numMergedOcc 0
46 mol 277 unq 2 iso 0 dist 7.54315 10.4453 6.79748 7.55695 7.98956 13.9697 9.71134 3.75238 6.53598 11.2004 numMergedOcc 0
47 mol 277 unq 3 iso 0 dist 7.54315 10.4453 6.79748 6.26644 5.86185 12.1514 9.71134 3.75238 6.53598 8.41856 numMergedOcc 0
48 mol 281 unq 0 iso 0 dist 8.78416 10.564 6.69267 16.2332 7.90368 12.7734 9.22428 3.77058 6.56886 9.46544 numMergedOcc 0
49 mol 281 unq 1 iso 0 dist 9.22428 10.564 6.56886 9.75261 5.33372 10.2487 8.78416 3.77058 6.69267 8.70938 numMergedOcc 0
50 mol 281 unq 2 iso 0 dist 7.82358 9.45924 6.69267 12.9503 7.90368 12.7734 11.1162 3.77058 6.56886 9.46544 numMergedOcc 0
51 mol 281 unq 3 iso 0 dist 7.95687 10.8606 6.56886 3.73592 5.33372 10.2487 11.4532 3.77058 6.69267 8.70938 numMergedOcc 0
