0 mol 17 unq 0 iso 0 dist 6.53817 6.80314 4.03817 7.83348 8.70792 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.53817 6.80314 4.03817 4.2802 9.79861 8.26398 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 9.81769 6.80314 5.12703 7.83348 9.89698 5.16502 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 9.81769 6.80314 5.12703 4.2802 11.8505 8.26398 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.85305 8.58962 8.04976 7.65753 12.0852 7.37118 numMergedOcc 0
5 mol 36 unq 0 iso 0 dist 6.29647 9.53334 5.52411 4.28628 5.79779 8.37681 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 5.36645 6.42242 8.82805 10.3657 14.4924 7.84895 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 5.36645 6.42242 8.82805 10.4457 13.602 5.8541 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 5.36645 6.42242 8.82805 10.1874 9.54465 5.82264 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 5.36645 6.42242 8.82805 5.39197 7.15542 7.20729 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 5.36645 6.42242 8.82805 4.89976 9.3774 5.72703 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 5.49623 9.22889 6.54837 4.08459 4.37025 5.79139 numMergedOcc 0
12 mol 87 unq 0 iso 0 dist 6.8014 8.59105 5.95671 6.90315 11.5979 9.41934 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 7.48277 9.2062 10.6281 6.04036 10.6142 6.07633 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 9.0361 9.2062 4.48396 6.04036 5.54256 6.07633 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 8.43313 9.52442 4.43119 9.9391 12.534 9.42762 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 8.43313 9.52442 4.43119 14.0666 11.214 7.30244 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 8.34161 7.23059 8.22911 6.50596 11.4999 4.6512 numMergedOcc 0
18 mol 158 unq 1 iso 0 dist 6.95381 7.23059 10.1352 6.50596 12.1854 4.6512 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 9.89142 9.31025 4.20425 7.86779 7.93088 5.67088 numMergedOcc 0
20 mol 162 unq 1 iso 0 dist 8.06091 9.31025 12.7318 7.86779 13.6187 5.67088 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 8.53729 9.29788 5.78064 12.9301 11.2301 9.82605 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 8.53729 9.29788 5.78064 8.8893 9.7691 9.73723 numMergedOcc 0
23 mol 253 unq 2 iso 0 dist 8.07341 9.50983 5.78064 16.4827 11.2301 9.82605 numMergedOcc 0
24 mol 253 unq 3 iso 0 dist 8.07341 9.50983 5.78064 13.3075 9.7691 9.73723 numMergedOcc 0
25 mol 256 unq 0 iso 0 dist 7.54586 9.65136 10.134 6.51471 9.59773 4.36333 numMergedOcc 0
26 mol 256 unq 1 iso 0 dist 8.43264 7.54955 5.28793 5.24147 4.80903 4.36333 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 7.46199 8.51736 9.5662 6.4179 12.3788 8.31526 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 7.46199 8.51736 9.5662 11.4354 15.5614 7.08328 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 7.6414 6.45102 6.18925 4.30068 8.24356 9.41212 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.17586 9.24164 11.5885 11.0658 13.4398 8.25623 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 5.17586 9.24164 11.5885 5.67885 10.8169 8.77098 numMergedOcc 0
32 mol 279 unq 2 iso 0 dist 5.17586 9.24164 11.5885 13.3369 17.8359 9.78784 numMergedOcc 0
