0 mol 5 unq 0 iso 0 dist 9.58876 9.05086 8.68577 10.7066 3.50411 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.58876 9.05086 8.68577 14.1917 5.30421 9.70883 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.58876 4.32004 8.13672 10.7066 3.50411 8.31759 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.33405 9.36667 9.13228 16.4148 13.0286 8.14512 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 9.83758 11.2375 4.91212 13.9689 6.13173 9.74162 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 6.61697 5.70681 5.31126 9.12562 5.7147 4.49669 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 6.61697 5.70681 5.31126 11.5832 8.09465 6.00221 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 6.61697 5.08157 7.16619 9.12562 5.7147 5.88896 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 6.36631 5.86518 5.31126 6.24308 2.75715 7.16619 numMergedOcc 0
9 mol 113 unq 4 iso 0 dist 6.36631 4.8668 4.49669 6.24308 2.75715 5.88896 numMergedOcc 0
10 mol 113 unq 5 iso 0 dist 6.24308 5.86518 7.16619 6.36631 2.75715 5.31126 numMergedOcc 0
11 mol 113 unq 6 iso 0 dist 6.24308 4.8668 5.88896 6.36631 2.75715 4.49669 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.60192 7.33656 5.86379 12.3841 3.66281 8.64686 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.60192 10.5073 6.21029 12.3841 3.66281 8.16325 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 9.82655 10.5817 5.86379 10.4156 3.19822 6.21029 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 9.82655 13.8778 8.64686 10.4156 3.19822 8.16325 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.0889 8.14689 7.84207 8.34958 5.26524 6.98791 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 7.12662 9.10228 7.76123 9.38 4.97239 6.08651 numMergedOcc 0
18 mol 128 unq 1 iso 0 dist 9.38 9.10228 6.08651 7.12662 4.97239 7.76123 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.85177 5.73931 5.10589 8.88729 5.23644 4.63336 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.85177 5.73931 5.10589 11.5631 7.52063 6.10715 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 8.88729 5.73931 4.63336 6.85177 5.23644 5.10589 numMergedOcc 0
22 mol 169 unq 3 iso 0 dist 8.88729 5.73931 4.63336 11.5631 3.74306 6.10715 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 9.32969 7.35757 5.10542 10.261 3.78714 4.68722 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 8.47283 10.816 9.93489 10.2826 2.95898 8.32259 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 8.47283 4.27546 7.64057 10.2826 2.95898 8.54737 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 7.93054 4.26898 7.42759 9.57294 2.86233 7.96338 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 8.26189 12.399 7.85841 5.75348 3.15539 9.20109 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 7.57834 12.6878 9.20109 10.4889 3.15539 7.85841 numMergedOcc 0
29 mol 254 unq 2 iso 0 dist 5.75348 12.399 9.20109 8.26189 3.15539 7.85841 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 8.90109 8.71923 7.04263 13.0717 8.76827 6.48099 numMergedOcc 0
31 mol 266 unq 0 iso 0 dist 7.96613 6.80038 7.8598 14.3456 11.938 8.25286 numMergedOcc 0
32 mol 266 unq 1 iso 0 dist 7.96613 4.5731 7.80711 14.3456 11.938 9.9965 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 8.70774 14.9564 7.98956 12.0301 3.41319 5.86185 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 8.70774 14.9564 7.98956 19.8814 13.9697 6.79748 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 7.73997 9.39306 6.53598 11.2898 3.75238 6.79748 numMergedOcc 0
36 mol 281 unq 0 iso 0 dist 9.73306 12.2582 7.90368 17.1358 12.7734 6.69267 numMergedOcc 0
37 mol 281 unq 1 iso 0 dist 7.8046 7.60311 7.90368 11.1901 12.7734 6.69267 numMergedOcc 0
38 mol 281 unq 2 iso 0 dist 7.5689 9.10512 6.56886 11.1004 3.77058 6.69267 numMergedOcc 0
