0 mol 6 unq 0 iso 0 dist 5.17382 6.95093 6.1462 6.23274 6.36157 8.54844 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 5.17382 8.45922 9.12796 6.23274 6.36157 8.60722 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.24412 5.05548 8.41173 10.3604 7.38748 10.1841 numMergedOcc 0
3 mol 35 unq 0 iso 0 dist 7.42628 11.521 9.81737 5.13152 5.28675 7.44943 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 5.56045 10.4296 9.25986 7.89265 7.65802 9.16636 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 4.76632 5.91529 5.92936 7.09531 7.48556 4.97519 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 4.76632 5.91529 5.92936 13.0118 9.47045 9.95663 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 4.76632 5.91529 5.92936 11.6199 8.68218 6.87319 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 4.46817 7.86025 5.92936 9.22505 7.48556 4.97519 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 4.46817 7.86025 5.92936 6.44522 9.47045 9.95663 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 4.46817 7.86025 5.92936 6.44795 8.68218 6.87319 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 9.90493 5.91529 8.4438 14.6054 7.58027 9.96367 numMergedOcc 0
12 mol 73 unq 7 iso 0 dist 9.90493 5.91529 8.4438 13.0783 4.34694 9.65371 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 4.63201 6.54568 9.94142 5.20859 8.46819 8.05438 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 7.96146 6.44295 7.35148 11.4267 6.39087 11.4142 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 6.70011 9.4336 9.29204 5.65103 6.97426 4.73988 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 6.70011 9.4336 9.29204 8.26432 8.87456 8.36102 numMergedOcc 0
17 mol 223 unq 2 iso 0 dist 6.70011 10.3167 9.14789 5.65103 6.97426 4.78255 numMergedOcc 0
18 mol 223 unq 3 iso 0 dist 6.70011 10.3167 9.14789 8.26432 8.87456 5.43913 numMergedOcc 0
19 mol 223 unq 4 iso 0 dist 6.70011 8.41033 7.80764 5.65103 6.97426 12.6805 numMergedOcc 0
20 mol 223 unq 5 iso 0 dist 6.70011 8.41033 7.80764 8.26432 8.87456 13.9763 numMergedOcc 0
21 mol 223 unq 6 iso 0 dist 6.70011 8.17538 5.75896 5.65103 6.97426 10.6184 numMergedOcc 0
22 mol 223 unq 7 iso 0 dist 6.70011 8.17538 5.75896 8.26432 8.87456 13.8469 numMergedOcc 0
23 mol 245 unq 0 iso 0 dist 5.89008 7.69921 7.26913 13.0831 9.96585 6.25662 numMergedOcc 0
24 mol 245 unq 1 iso 0 dist 5.89008 7.69921 7.26913 9.19721 7.27022 4.38291 numMergedOcc 0
25 mol 245 unq 2 iso 0 dist 5.89008 7.69921 7.26913 8.32896 7.95061 11.8346 numMergedOcc 0
26 mol 245 unq 3 iso 0 dist 5.89008 5.52899 6.41862 13.0831 9.96585 14.6391 numMergedOcc 0
27 mol 245 unq 4 iso 0 dist 5.89008 5.52899 6.41862 9.19721 7.27022 10.1523 numMergedOcc 0
28 mol 245 unq 5 iso 0 dist 5.89008 5.52899 6.41862 8.32896 7.95061 3.53109 numMergedOcc 0
29 mol 245 unq 6 iso 0 dist 5.89008 4.71993 8.69377 13.0831 9.96585 17.4904 numMergedOcc 0
30 mol 245 unq 7 iso 0 dist 5.89008 4.71993 8.69377 9.19721 7.27022 13.6404 numMergedOcc 0
31 mol 245 unq 8 iso 0 dist 5.89008 4.71993 8.69377 8.32896 7.95061 9.71014 numMergedOcc 0
32 mol 276 unq 0 iso 0 dist 7.07265 12.7585 9.68846 12.8451 9.87655 4.97223 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 8.35112 10.4249 9.57857 6.21303 5.83342 6.00343 numMergedOcc 0
