0 mol 24 unq 0 iso 0 dist 5.80953 7.85986 11.1587 9.63925 7.7447 8.25818 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 5.43693 5.53419 6.08836 3.57198 5.4713 3.77542 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 8.02443 8.84225 6.49084 6.07693 8.18375 4.15789 numMergedOcc 0
3 mol 79 unq 1 iso 0 dist 9.09458 6.72546 6.49084 5.25584 8.18375 4.15789 numMergedOcc 0
4 mol 79 unq 2 iso 0 dist 6.5551 7.63923 7.19532 5.41884 4.74254 6.20144 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 numMergedOcc 0
9 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 8.49625 6.49371 8.19484 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 6.29259 8.67025 5.31126 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.75314 7.84546 6.95147 4.94367 8.49847 7.53342 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 9.15283 5.41121 13.5169 3.83687 9.06172 6.96715 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 14.2269 8.17928 7.25595 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 3.7326 4.45769 5.10542 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 9.71015 8.43182 11.7699 3.7326 8.99961 5.10542 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 6.28944 9.59928 8.66082 numMergedOcc 0
19 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 numMergedOcc 0
20 mol 214 unq 2 iso 0 dist 5.44533 5.05626 7.87816 6.28944 7.70062 8.66082 numMergedOcc 0
21 mol 214 unq 3 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 numMergedOcc 0
22 mol 214 unq 4 iso 0 dist 5.44533 8.41013 3.64285 7.23583 7.66702 7.42759 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 6.75725 6.12343 8.22506 3.60349 8.51564 7.04263 numMergedOcc 0
24 mol 260 unq 1 iso 0 dist 6.75725 4.52405 3.68866 3.60349 8.51564 6.48099 numMergedOcc 0
25 mol 260 unq 2 iso 0 dist 9.31888 6.49413 7.35802 7.28821 7.49606 8.62655 numMergedOcc 0
