0 mol 24 unq 0 iso 0 dist 9.7649 10.5243 8.25818 15.3398 10.0962 5.65754 17.4574 11.1587 7.7447 5.61248 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.5268 10.2093 8.25818 14.3641 10.0962 5.65754 15.8905 11.1587 7.7447 5.61248 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.10496 6.55665 6.87277 10.9533 5.2103 7.88072 10.282 3.30447 8.67216 4.5844 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 4.41045 3.82411 4.78873 5.31968 5.71433 7.89306 5.84349 3.60218 4.64187 6.23577 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 8.06894 11.2724 8.14512 11.9172 5.04771 6.89855 12.2226 4.73277 8.78414 5.74753 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 8.06894 11.2724 8.14512 16.1877 9.28052 7.85738 12.2226 4.73277 8.78414 5.82517 numMergedOcc 0
6 mol 63 unq 2 iso 0 dist 5.89846 6.63195 8.14512 8.17492 5.04771 6.89855 9.6401 4.73277 8.78414 5.74753 numMergedOcc 0
7 mol 63 unq 3 iso 0 dist 5.89846 6.63195 8.14512 12.3166 9.28052 7.85738 9.6401 4.73277 8.78414 5.82517 numMergedOcc 0
8 mol 63 unq 4 iso 0 dist 9.56838 11.1855 9.13228 12.6158 9.54378 6.89855 8.53833 10.1907 8.78414 5.74753 numMergedOcc 0
9 mol 63 unq 5 iso 0 dist 9.56838 11.1855 9.13228 7.10403 4.44607 7.85738 8.53833 10.1907 8.78414 5.82517 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 6.27877 6.90443 7.51319 6.24296 3.65186 4.29937 8.08787 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.15861 3.81285 6.67137 6.27877 6.90443 7.51319 6.83218 7.00044 3.65628 10.4844 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.15861 3.81285 6.67137 6.27877 6.90443 7.51319 10.9154 16.1804 9.77774 16.4231 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.15861 3.81285 6.67137 10.5834 14.6513 9.43839 6.24296 3.65186 4.29937 11.053 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 8.15861 3.81285 6.67137 10.5834 14.6513 9.43839 6.83218 7.00044 3.65628 7.97629 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 8.15861 3.81285 6.67137 10.5834 14.6513 9.43839 10.9154 16.1804 9.77774 5.46713 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 8.15861 6.17121 7.04244 14.5265 13.8217 8.66427 6.24296 3.65186 5.37869 12.4236 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 8.15861 6.17121 7.04244 14.5265 13.8217 8.66427 6.83218 7.00044 4.05415 9.61831 numMergedOcc 0
18 mol 85 unq 8 iso 0 dist 8.15861 6.17121 7.04244 14.5265 13.8217 8.66427 10.9154 16.1804 9.97944 11.3963 numMergedOcc 0
19 mol 85 unq 9 iso 0 dist 8.15861 6.17121 7.04244 6.27877 6.90443 8.49887 6.24296 3.65186 5.37869 8.08787 numMergedOcc 0
20 mol 85 unq 10 iso 0 dist 8.15861 6.17121 7.04244 6.27877 6.90443 8.49887 6.83218 7.00044 4.05415 10.4844 numMergedOcc 0
21 mol 85 unq 11 iso 0 dist 8.15861 6.17121 7.04244 6.27877 6.90443 8.49887 10.9154 16.1804 9.97944 16.4231 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 7.15344 6.82158 8.32259 14.2234 10.6524 8.77524 10.0267 4.7839 7.33774 5.9943 numMergedOcc 0
23 mol 204 unq 1 iso 0 dist 9.98617 6.82158 9.93489 14.2234 9.88337 8.77524 10.0267 4.05102 7.33774 5.9943 numMergedOcc 0
24 mol 204 unq 2 iso 0 dist 8.09863 3.88406 7.64057 6.97502 6.40044 9.26192 9.93698 3.68217 7.98864 9.9686 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.43884 12.3524 9.9965 13.6849 9.52953 6.48382 12.6402 5.95721 8.20376 7.90149 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.14217 9.84883 4.68668 13.4979 9.08224 8.17436 12.4804 3.66473 4.93516 7.94344 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.14217 9.84883 4.68668 13.4979 9.08224 8.17436 12.4804 3.66473 4.93516 7.94344 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.14217 9.84883 4.68668 13.4979 9.08224 8.17436 12.4804 3.66473 4.93516 7.94344 numMergedOcc 0
