0 mol 78 unq 0 iso 0 dist 6.73466 5.83035 8.61143 11.8349 11.9667 8.79979 numMergedOcc 0
1 mol 83 unq 0 iso 0 dist 9.94528 9.24212 6.96722 13.5083 5.72008 7.61085 numMergedOcc 0
2 mol 83 unq 1 iso 0 dist 8.94777 12.1198 6.96722 12.8722 5.72008 7.61085 numMergedOcc 0
3 mol 83 unq 2 iso 0 dist 9.47551 3.76903 6.96722 10.8332 5.72008 7.61085 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 7.96893 3.74516 5.31126 10.3461 2.75715 7.16619 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 7.96893 7.32784 4.49669 10.3461 2.75715 5.88896 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.03124 4.74539 6.98791 11.0505 5.26524 7.84207 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 9.58434 3.71884 9.31385 9.16089 5.7181 6.98791 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 9.16089 8.9188 7.84207 14.6365 8.68088 8.56947 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 9.16089 3.71884 6.98791 9.58434 5.7181 9.31385 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.97414 7.13766 5.86767 10.1297 6.37254 5.28353 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 7.50458 4.24401 5.10589 5.79554 5.23644 4.63336 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 7.50458 4.24401 5.10589 4.22003 7.52063 6.10715 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 5.79554 4.24401 4.63336 7.50458 5.23644 5.10589 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 5.79554 4.24401 4.63336 4.22003 3.74306 6.10715 numMergedOcc 0
15 mol 169 unq 4 iso 0 dist 4.22003 4.24401 6.10715 7.50458 7.52063 5.10589 numMergedOcc 0
16 mol 169 unq 5 iso 0 dist 4.22003 4.24401 6.10715 5.79554 3.74306 4.63336 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 7.26558 3.58164 6.85902 10.0916 7.03525 8.65645 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.69952 8.26669 7.25595 17.7447 12.8007 9.94825 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.14525 13.1776 7.25595 14.6925 6.13455 4.87942 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.12524 5.8523 8.32259 11.443 2.95898 9.93489 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 9.12524 10.6525 8.54737 11.443 2.95898 7.64057 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 9.35293 12.15 8.25286 17.942 11.938 7.8598 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 9.35293 14.8334 9.9965 17.942 11.938 7.80711 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 7.93375 9.25882 8.25286 14.6863 11.938 7.8598 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 7.93375 12.1357 9.9965 14.6863 11.938 7.80711 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.72101 10.3346 6.79748 8.75619 3.75238 6.53598 numMergedOcc 0
27 mol 277 unq 1 iso 0 dist 8.75619 10.3346 6.53598 8.72101 3.75238 6.79748 numMergedOcc 0
28 mol 277 unq 2 iso 0 dist 5.11998 10.8296 6.79748 5.79925 3.75238 6.53598 numMergedOcc 0
29 mol 277 unq 3 iso 0 dist 5.79925 10.8296 6.53598 5.11998 3.75238 6.79748 numMergedOcc 0
30 mol 277 unq 4 iso 0 dist 8.55906 8.55356 6.53598 11.3414 3.75238 6.79748 numMergedOcc 0
31 mol 277 unq 5 iso 0 dist 5.55523 10.7151 6.53598 8.87837 3.75238 6.79748 numMergedOcc 0
32 mol 281 unq 0 iso 0 dist 9.13909 9.11195 6.56886 11.9913 3.77058 6.69267 numMergedOcc 0
33 mol 281 unq 1 iso 0 dist 6.82918 7.74065 6.69267 4.29351 3.77058 6.56886 numMergedOcc 0
34 mol 281 unq 2 iso 0 dist 4.29351 7.74065 6.56886 6.82918 3.77058 6.69267 numMergedOcc 0
