0 mol 45 unq 0 iso 0 dist 8.68139 9.73896 8.57764 7.06216 11.1254 7.06308 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 8.68139 6.96797 5.05383 7.06216 11.1254 6.34173 numMergedOcc 0
2 mol 52 unq 0 iso 0 dist 8.52059 8.52979 6.55558 13.1241 11.32 7.18176 numMergedOcc 0
3 mol 52 unq 1 iso 0 dist 9.99694 8.52979 6.86126 13.1241 13.6201 7.18176 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.56621 9.74289 7.1369 4.55484 10.008 7.96497 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 8.11268 7.09258 7.06403 6.65814 13.7102 9.02278 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.60664 7.28058 4.49951 10.6264 10.5718 7.13087 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 6.63403 8.70094 5.75903 8.67697 10.0596 6.33365 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 6.11155 6.37427 6.31152 10.3152 12.2958 6.87861 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.77755 6.37427 5.81666 10.3152 12.0121 6.87861 numMergedOcc 0
10 mol 234 unq 0 iso 0 dist 9.79506 8.58958 6.00143 6.99882 10.4496 6.25105 numMergedOcc 0
11 mol 234 unq 1 iso 0 dist 9.79506 7.17987 9.8423 5.04225 13.069 9.5707 numMergedOcc 0
12 mol 234 unq 2 iso 0 dist 9.79506 7.17987 9.8423 6.99882 10.4496 7.85175 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 5.50501 6.0087 10.054 9.3775 13.6012 7.17676 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 5.50501 6.0087 10.054 4.59056 9.96007 6.68463 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 7.34573 9.0157 13.2709 9.45521 14.955 8.96876 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 7.34573 9.14351 9.82483 9.45521 14.955 8.83735 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 6.82161 6.50405 5.86413 5.02339 9.46934 7.14834 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.41308 8.14812 5.09738 4.7348 10.1492 6.49982 numMergedOcc 0
