0 mol 53 unq 0 iso 0 dist 7.61675 8.86683 6.95013 6.76484 10.2172 7.72123 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 9.64645 6.70396 6.95013 11.8753 10.2172 7.72123 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.30888 9.46185 9.11686 13.7789 6.45781 9.47176 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 7.4765 10.3142 6.59253 14.64 11.7717 9.66481 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 5.86585 11.0301 6.59253 17.1009 11.7717 9.66481 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 7.52352 4.42628 6.93136 11.2126 5.67036 9.01762 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 7.23619 12.9426 6.93136 8.70585 5.67036 9.01762 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 7.96867 7.94301 9.17868 10.8116 6.03398 9.66109 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 8.15524 7.16561 7.24115 6.72322 4.19444 9.49329 numMergedOcc 0
9 mol 163 unq 0 iso 0 dist 7.64106 16.8942 9.29539 12.5693 6.25864 6.58002 numMergedOcc 0
10 mol 173 unq 0 iso 0 dist 7.55147 11.1651 4.0037 13.7353 9.37181 8.87968 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 7.91764 15.44 8.27428 22.167 14.2587 9.24242 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 7.91764 15.44 8.27428 11.8875 4.32729 6.74185 numMergedOcc 0
13 mol 176 unq 2 iso 0 dist 7.72366 11.8652 8.27428 20.2054 14.2587 9.24242 numMergedOcc 0
14 mol 176 unq 3 iso 0 dist 7.72366 11.8652 8.27428 11.5663 4.32729 6.74185 numMergedOcc 0
15 mol 176 unq 4 iso 0 dist 8.84411 15.4531 8.27428 21.0364 14.2587 9.24242 numMergedOcc 0
16 mol 176 unq 5 iso 0 dist 8.84411 15.4531 8.27428 10.4911 4.32729 6.74185 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.04167 11.3935 8.74308 12.8673 6.0273 8.72113 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.84316 5.35183 5.67811 12.075 9.7478 8.72113 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 9.87623 5.35183 8.74308 12.075 6.0273 8.72113 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 8.65691 5.5367 9.42862 11.8927 11.0308 7.30459 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 8.65691 5.5367 9.42862 10.9226 15.993 8.73423 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 7.6882 5.53796 8.67237 12.3461 11.1449 7.74406 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 9.542 5.53796 7.49436 12.3461 6.71044 7.74406 numMergedOcc 0
24 mol 290 unq 0 iso 0 dist 7.94259 5.26276 9.45004 12.1025 9.4614 9.13049 numMergedOcc 0
25 mol 290 unq 1 iso 0 dist 9.85598 5.26276 9.87286 12.1025 6.13651 9.13049 numMergedOcc 0
