0 mol 17 unq 0 iso 0 dist 7.61851 9.20038 6.75648 9.78399 8.07089 11.1781 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 5.00126 7.54441 6.42104 9.70029 7.401 10.3659 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 5.00126 9.84326 6.42248 9.70029 7.401 5.7332 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.54183 8.41365 10.1332 9.57335 4.15717 13.0229 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.54183 8.41365 10.1332 8.60653 5.99981 11.0681 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.70415 8.68888 17.9693 5.67362 13.5488 5.11693 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 9.00902 9.44676 13.4281 8.7005 7.53829 9.00182 numMergedOcc 0
7 mol 91 unq 1 iso 0 dist 9.00902 9.44676 13.4281 8.2802 12.9568 7.4006 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.05602 9.56188 15.8667 8.31266 15.089 4.61633 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.05602 9.56188 15.8667 8.51459 13.8849 7.56871 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.88255 8.05492 7.15817 8.61574 9.89358 8.64853 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 8.90247 9.30874 6.25083 9.99409 8.91338 4.43678 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 8.90247 5.54873 4.77278 9.99409 8.91338 6.03415 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 6.58792 9.30874 10.5753 9.99409 11.85 4.43678 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 6.58792 5.54873 5.88819 9.99409 11.85 6.03415 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 8.89211 6.37335 8.78722 6.71099 6.2188 5.12599 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 5.67917 7.90344 5.11565 8.52162 8.1195 4.38002 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 8.96639 7.90344 10.2681 8.52162 13.49 4.38002 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.7017 8.5166 10.0774 6.47859 5.05321 5.2908 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 7.07459 8.62043 8.34559 7.88238 9.87336 5.7252 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.68797 8.50767 7.69081 5.21664 12.6502 9.09973 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 5.70546 6.10834 5.34838 8.6522 12.6264 9.09973 numMergedOcc 0
