0 mol 28 unq 0 iso 0 dist 8.70005 9.05939 6.20881 13.0423 9.83168 14.3126 10.5266 10.79 8.24422 12.6422 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.70005 9.38747 11.4016 13.0423 9.83168 18.4168 10.5266 10.79 8.99724 12.6422 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.62629 7.87739 5.55161 5.90603 6.15118 10.4637 9.40104 11.447 8.03504 14.7866 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 4.87423 7.12853 5.01302 6.17026 6.71332 10.8468 3.843 4.76283 6.14513 5.76061 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 4.76283 6.14513 5.01302 5.76061 6.71332 10.8468 3.843 4.87423 7.12853 6.17026 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 14.5875 8.40844 13.2901 12.5626 13.9009 8.44695 21.4741 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 14.5875 8.40844 13.2901 12.3241 8.66342 5.68894 13.6926 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 12.3241 8.66342 5.68894 12.5626 13.9009 8.44695 9.3197 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.02351 6.85356 4.63063 14.5875 8.40844 10.8175 12.3241 8.66342 7.32265 13.6926 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.53504 5.68894 7.92924 13.6926 7.84699 13.2901 12.3241 12.1654 6.7939 14.5875 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.53504 5.68894 7.92924 13.6926 7.84699 13.2901 9.3197 15.154 8.44695 21.4741 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.53504 7.32265 8.30433 13.6926 7.84699 10.8175 12.3241 12.1654 6.85356 14.5875 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 8.66342 5.68894 5.4653 13.6926 8.40844 13.2901 12.3241 7.02351 6.7939 14.5875 numMergedOcc 0
13 mol 73 unq 8 iso 0 dist 8.66342 5.68894 5.4653 13.6926 8.40844 13.2901 9.3197 13.9009 8.44695 21.4741 numMergedOcc 0
14 mol 73 unq 9 iso 0 dist 8.66342 5.68894 5.4653 12.3241 7.02351 6.7939 9.3197 13.9009 8.44695 12.5626 numMergedOcc 0
15 mol 73 unq 10 iso 0 dist 8.66342 7.32265 4.63063 13.6926 8.40844 10.8175 12.3241 7.02351 6.85356 14.5875 numMergedOcc 0
16 mol 73 unq 11 iso 0 dist 7.21285 5.68894 7.09483 13.6926 6.99156 13.2901 12.3241 10.4593 6.7939 14.5875 numMergedOcc 0
17 mol 73 unq 12 iso 0 dist 7.21285 5.68894 7.09483 13.6926 6.99156 13.2901 9.3197 14.8104 8.44695 21.4741 numMergedOcc 0
18 mol 73 unq 13 iso 0 dist 7.21285 7.32265 4.68175 13.6926 6.99156 10.8175 12.3241 10.4593 6.85356 14.5875 numMergedOcc 0
19 mol 193 unq 0 iso 0 dist 9.16852 7.71716 3.53549 8.50438 8.6538 10.3933 13.1729 5.19654 8.71993 8.96814 numMergedOcc 0
20 mol 193 unq 1 iso 0 dist 5.19654 8.71993 3.53549 8.96814 8.6538 10.3933 13.1729 9.16852 7.71716 8.50438 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 8.21112 6.02053 8.82544 11.1418 5.94835 13.9502 4.4482 7.06533 7.41663 10.4273 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 7.06533 7.41663 8.82544 10.4273 5.94835 13.9502 4.4482 8.21112 6.02053 11.1418 numMergedOcc 0
23 mol 209 unq 0 iso 0 dist 7.757 8.20431 5.86856 6.11542 9.56015 12.5799 9.5473 12.9945 8.12326 15.0085 numMergedOcc 0
24 mol 209 unq 1 iso 0 dist 7.757 8.20431 5.86856 6.11542 9.56015 12.5799 5.35106 10.2873 7.37014 11.3909 numMergedOcc 0
25 mol 211 unq 0 iso 0 dist 9.45365 8.66183 13.6185 4.78922 7.15386 12.8712 5.61401 14.6156 9.26774 9.41404 numMergedOcc 0
26 mol 211 unq 1 iso 0 dist 9.45365 8.66183 13.6185 8.05917 7.73993 15.098 5.61401 14.6156 9.26774 13.2069 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 9.74776 9.984 8.70221 6.08531 5.51565 11.0474 10.3111 13.5453 8.08702 13.349 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.87355 8.52827 10.2078 9.39866 9.51355 12.4687 7.00034 8.18179 7.14122 5.38839 numMergedOcc 0
29 mol 279 unq 1 iso 0 dist 8.18179 7.14122 10.2078 5.38839 9.51355 12.4687 7.00034 8.87355 8.52827 9.39866 numMergedOcc 0
30 mol 279 unq 2 iso 0 dist 5.25218 7.14122 8.61009 5.38839 8.31465 12.4687 7.00034 12.0184 8.52827 9.39866 numMergedOcc 0
31 mol 279 unq 3 iso 0 dist 5.25218 7.14122 8.61009 11.2306 7.88102 16.1654 7.00034 12.0184 8.52827 18.0472 numMergedOcc 0
