0 mol 52 unq 0 iso 0 dist 8.52979 4.25393 7.47417 13.1241 7.18176 10.4155 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 8.52979 9.28685 7.68916 13.1241 7.18176 10.6328 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.24378 13.8345 8.28737 11.2646 8.97793 8.66353 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.24378 13.8345 8.28737 9.43349 8.19682 12.2209 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 9.81252 10.6668 6.06543 6.83232 7.52743 6.2394 numMergedOcc 0
5 mol 117 unq 0 iso 0 dist 6.97244 10.7198 8.76613 11.7596 7.20326 6.29379 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.5778 5.11778 6.99089 17.082 8.6355 15.1358 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 9.84636 6.38251 4.96326 14.8775 8.61331 12.8521 numMergedOcc 0
8 mol 176 unq 1 iso 0 dist 9.84636 11.9231 9.09976 14.8775 8.61331 10.9728 numMergedOcc 0
9 mol 176 unq 2 iso 0 dist 9.84636 11.3704 9.73567 14.8775 8.61331 7.46138 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 6.32172 9.96767 6.31492 7.08648 6.73313 5.37421 numMergedOcc 0
11 mol 182 unq 1 iso 0 dist 6.32172 10.2412 7.8621 7.08648 6.73313 13.0784 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.65951 9.46843 7.92766 10.8926 5.90931 13.2566 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 9.14829 14.3686 7.92766 5.63477 5.90931 13.2566 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 9.24466 9.92508 9.06306 4.91881 8.45368 6.32328 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.33638 15.8062 6.83122 11.401 6.97182 8.77336 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.33638 15.8062 6.83122 6.39677 6.1175 10.8541 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.94587 13.6648 9.82174 12.3467 6.91569 12.5765 numMergedOcc 0
18 mol 249 unq 0 iso 0 dist 9.0157 4.20982 6.93507 9.45521 8.96876 5.63238 numMergedOcc 0
19 mol 249 unq 1 iso 0 dist 9.14351 4.20982 6.42827 9.45521 8.83735 5.63238 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 9.75753 15.0104 5.76077 12.2787 7.19465 10.6548 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 9.75753 10.5007 7.0247 12.2787 7.19465 3.494 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 7.29148 4.70797 6.8133 10.3993 9.454 8.10093 numMergedOcc 0
