0 mol 4 unq 0 iso 0 dist 7.02225 9.31285 7.41754 8.66947 12.1293 12.04 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 7.02225 8.66947 12.1293 9.31285 7.41754 12.04 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 8.24155 8.81762 8.58937 5.32149 6.81904 7.14832 numMergedOcc 0
3 mol 18 unq 0 iso 1 dist 8.24155 5.32149 6.81904 8.81762 8.58937 7.14832 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 9.60641 8.30653 11.76 6.91739 11.4099 7.13583 numMergedOcc 0
5 mol 70 unq 0 iso 1 dist 9.60641 6.91739 11.4099 8.30653 11.76 7.13583 numMergedOcc 0
6 mol 70 unq 1 iso 0 dist 7.19617 8.30653 5.91569 6.91739 9.43671 7.13583 numMergedOcc 0
7 mol 70 unq 1 iso 1 dist 7.19617 6.91739 9.43671 8.30653 5.91569 7.13583 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.35806 9.25901 5.05123 7.96299 12.0807 9.36098 numMergedOcc 0
9 mol 90 unq 0 iso 1 dist 9.35806 7.96299 12.0807 9.25901 5.05123 9.36098 numMergedOcc 0
10 mol 90 unq 1 iso 0 dist 4.48773 9.25901 5.51793 7.96299 6.1985 9.36098 numMergedOcc 0
11 mol 90 unq 1 iso 1 dist 4.48773 7.96299 6.1985 9.25901 5.51793 9.36098 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 8.58504 9.96446 11.5195 6.70686 11.5567 5.04493 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 8.58504 6.70686 11.5567 9.96446 11.5195 5.04493 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 5.37661 6.99793 4.24853 6.71345 9.52181 11.6284 numMergedOcc 0
15 mol 114 unq 0 iso 1 dist 5.37661 6.71345 9.52181 6.99793 4.24853 11.6284 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.17664 8.64107 12.4408 9.50575 5.47689 10.4152 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 9.17664 9.50575 5.47689 8.64107 12.4408 10.4152 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 9.18913 8.43116 5.47689 6.23645 6.00348 6.5838 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 9.18913 6.23645 6.00348 8.43116 5.47689 6.5838 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 9.16832 8.31276 16.9873 5.79157 6.34069 11.6064 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 9.16832 5.79157 6.34069 8.31276 16.9873 11.6064 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.16832 8.31276 16.9873 5.50687 5.70883 13.7309 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 9.16832 5.50687 5.70883 8.31276 16.9873 13.7309 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 9.16832 8.31276 16.9873 7.30919 7.91746 14.069 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 9.16832 7.30919 7.91746 8.31276 16.9873 14.069 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 9.16832 5.79157 6.34069 5.50687 5.70883 7.09823 numMergedOcc 0
27 mol 134 unq 1 iso 1 dist 9.16832 5.50687 5.70883 5.79157 6.34069 7.09823 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 9.16832 5.79157 6.34069 7.30919 7.91746 8.25185 numMergedOcc 0
29 mol 134 unq 2 iso 1 dist 9.16832 7.30919 7.91746 5.79157 6.34069 8.25185 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 9.16832 5.50687 5.70883 7.30919 7.91746 6.90348 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 9.16832 7.30919 7.91746 5.50687 5.70883 6.90348 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.04346 6.0639 8.3612 6.91355 13.6446 6.85436 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 9.04346 6.91355 13.6446 6.0639 8.3612 6.85436 numMergedOcc 0
34 mol 206 unq 0 iso 0 dist 8.90925 5.82039 5.73775 6.22964 8.50775 7.08143 numMergedOcc 0
35 mol 206 unq 0 iso 1 dist 8.90925 6.22964 8.50775 5.82039 5.73775 7.08143 numMergedOcc 0
