0 mol 1 unq 0 iso 0 dist 9.30501 7.68779 4.58277 5.96722 7.81034 6.4181 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 8.49309 8.48453 16.6172 7.10327 6.3896 13.0416 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 8.49309 8.80499 16.0163 7.10327 6.3896 13.8565 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 6.85245 9.15677 5.71065 12.1626 6.67455 9.7522 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.85245 9.15677 5.71065 14.2372 9.2772 13.4268 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.43571 9.61029 5.71065 7.53125 6.67455 9.7522 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.43571 9.61029 5.71065 9.31749 9.2772 13.4268 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 6.86092 7.80805 8.38029 10.3698 9.09831 16.0417 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 7.45482 9.99643 4.78811 11.5723 8.6338 7.52103 numMergedOcc 0
9 mol 61 unq 1 iso 0 dist 7.45482 9.99643 4.78811 3.60123 7.31677 8.46556 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.8917 6.89185 9.15854 5.93341 8.12903 11.0261 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 9.8917 7.97217 5.12682 5.93341 8.12903 9.44916 numMergedOcc 0
12 mol 81 unq 0 iso 0 dist 8.61295 8.93196 10.2544 4.79903 9.80754 12.7796 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 5.57391 8.5073 6.7474 6.27172 5.61946 10.9097 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 8.91834 8.62898 11.855 3.9163 9.00881 12.0995 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 8.84061 8.6102 11.7897 3.9243 9.03478 12.1518 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 6.01114 6.28957 8.43038 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 6.26373 4.93984 4.70374 9.04662 7.34285 9.87966 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 5.32056 6.64164 6.45463 9.2968 9.63473 14.2113 numMergedOcc 0
19 mol 167 unq 3 iso 0 dist 5.32056 6.64164 6.45463 5.79787 8.39087 12.2455 numMergedOcc 0
20 mol 167 unq 4 iso 0 dist 9.74227 4.93984 8.90206 6.87303 9.63473 8.14096 numMergedOcc 0
21 mol 167 unq 5 iso 0 dist 9.74227 4.93984 8.90206 11.0118 8.39087 13.0243 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 6.9659 9.82174 5.48771 5.22428 7.12027 10.6346 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 6.9659 9.2521 14.301 5.22428 7.12027 13.9196 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 6.9659 8.51359 15.0149 5.22428 7.12027 11.2596 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 8.66923 9.29203 15.3346 6.89134 5.83514 15.9232 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 8.66923 7.62771 13.1885 6.89134 5.83514 13.609 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 8.66923 7.80166 7.04671 6.89134 5.83514 10.2894 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.32876 7.22378 5.38982 6.19911 8.43002 10.2123 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 6.83789 9.16172 13.8323 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 8.84911 8.90008 12.7881 4.35498 8.04021 10.6063 numMergedOcc 0
