0 mol 107 unq 0 iso 0 dist 7.09988 12.4206 6.49371 14.2999 8.49625 5.33764 14.3565 8.19484 3.40943 7.89505 numMergedOcc 0
1 mol 107 unq 1 iso 0 dist 7.73898 9.55354 6.49371 12.634 8.49625 5.33764 11.5335 8.19484 3.40943 7.89505 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 6.36631 13.8532 8.67025 10.8474 6.29259 9.30645 5.86518 5.31126 9.59189 7.40338 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 8.68246 6.6473 6.76852 10.2954 14.5488 7.83568 6.1827 8.5609 4.80505 8.31198 numMergedOcc 0
4 mol 169 unq 0 iso 0 dist 7.07933 6.43144 9.06172 8.59976 5.68902 6.0859 15.445 10.1862 12.6492 7.85698 numMergedOcc 0
5 mol 169 unq 1 iso 0 dist 7.07933 6.43144 9.06172 8.59976 5.68902 6.0859 4.8357 10.0159 4.97137 8.75484 numMergedOcc 0
6 mol 169 unq 2 iso 0 dist 7.07933 6.43144 9.06172 9.71763 3.83687 9.15283 12.9917 6.96715 13.5169 5.41121 numMergedOcc 0
7 mol 169 unq 3 iso 0 dist 7.07933 6.43144 9.06172 9.71763 3.83687 9.15283 15.445 10.1862 12.6492 6.35799 numMergedOcc 0
8 mol 169 unq 4 iso 0 dist 7.07933 6.37039 8.93091 8.59976 5.68902 6.05009 15.445 10.1862 13.7198 7.85698 numMergedOcc 0
9 mol 169 unq 5 iso 0 dist 7.07933 6.37039 8.93091 8.59976 5.68902 6.05009 4.8357 10.0159 3.33711 8.75484 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.77932 8.04827 7.25623 6.71675 5.69882 7.81263 9.24858 8.53111 3.74437 7.02762 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.86574 6.21482 9.34653 10.6368 13.2309 6.88127 9.09753 14.0911 4.75583 7.37629 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 8.86574 6.21482 9.34653 10.6368 13.2309 6.88127 6.7472 11.9419 3.11607 5.68985 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 9.32969 13.385 4.45769 11.2921 3.7326 4.19371 7.35757 5.10542 9.23342 8.43182 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 9.32969 17.9971 8.99961 11.2921 3.7326 9.71015 7.35757 5.10542 11.7699 8.43182 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 7.93054 5.055 7.66702 9.10678 7.23583 5.44533 12.7192 10.7359 7.87816 5.05626 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 7.93054 5.055 7.66702 9.10678 7.23583 5.44533 4.26898 7.42759 3.64285 8.41013 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 9.03149 3.35321 9.24564 9.75061 8.80447 7.39085 16.5237 11.8163 14.4239 7.26232 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 4.54064 4.87707 8.51564 4.76698 3.60349 6.75725 9.77348 9.66527 8.04546 6.49413 numMergedOcc 0
19 mol 260 unq 1 iso 0 dist 4.54064 4.87707 8.51564 4.76698 3.60349 6.75725 8.11438 7.04263 8.22506 6.12343 numMergedOcc 0
20 mol 260 unq 2 iso 0 dist 4.54064 4.87707 8.51564 4.76698 3.60349 6.75725 3.43932 6.48099 3.68866 4.52405 numMergedOcc 0
21 mol 260 unq 3 iso 0 dist 5.33881 10.8164 7.49606 12.2712 7.28821 9.31888 12.1108 8.62655 7.35802 6.49413 numMergedOcc 0
22 mol 260 unq 4 iso 0 dist 5.33881 10.8164 7.49606 12.2712 7.28821 9.31888 16.6935 11.9844 9.94995 6.12343 numMergedOcc 0
23 mol 260 unq 5 iso 0 dist 5.33881 10.8164 7.49606 12.2712 7.28821 9.31888 12.7836 9.01781 12.8784 4.52405 numMergedOcc 0
