0 mol 20 unq 0 iso 0 dist 5.21143 8.36009 9.0513 12.1601 10.0528 8.26091 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.75338 8.36009 4.49878 12.1601 11.1324 8.26091 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.01993 7.39066 6.36636 7.16919 13.4844 8.28202 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.44761 7.51631 3.56619 8.24064 9.87699 7.7485 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.81124 7.51631 6.23171 8.24064 11.7033 7.7485 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 9.95168 7.12662 10.5341 9.10228 15.6574 7.76123 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 9.95168 9.38 15.3866 9.10228 15.6574 6.08651 numMergedOcc 0
7 mol 128 unq 2 iso 0 dist 4.89256 7.66528 6.30769 10.2523 10.8446 7.76123 numMergedOcc 0
8 mol 128 unq 3 iso 0 dist 4.89256 7.66528 6.30769 5.43682 7.4442 6.08651 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.59976 7.07933 5.68902 12.9917 9.57683 6.96715 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 9.71763 7.07933 3.83687 12.9917 5.41121 6.96715 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 9.75046 9.84293 5.92533 6.88195 8.78623 7.38825 numMergedOcc 0
12 mol 198 unq 1 iso 0 dist 6.73371 5.84588 5.92533 5.73959 8.78623 7.38825 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.24801 8.42431 8.90838 11.9686 12.5259 6.80296 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 4.76698 4.54064 3.60349 8.11438 6.12343 7.04263 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 4.76698 4.54064 3.60349 3.43932 4.52405 6.48099 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 8.31182 7.96613 14.8481 6.80038 10.6754 7.8598 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 8.31182 7.96613 14.8481 4.5731 10.0289 7.80711 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 9.42297 7.8046 3.78169 7.60311 6.18742 7.90368 numMergedOcc 0
