0 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 3.63999 7.89667 8.31381 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 13.5789 7.89667 8.31381 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.64534 6.65465 13.2118 7.57912 9.00612 12.9747 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 13.4907 8.48827 7.91148 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 8.61468 9.45835 7.17843 10.4533 7.14048 6.59794 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 6.27186 9.45835 4.4651 13.4907 8.03895 7.91148 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 6.27186 9.45835 4.4651 10.4533 5.68873 6.59794 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 8.47393 7.06029 12.4904 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 13.6305 5.10693 17.12 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.84466 9.10877 12.5871 14.1431 6.58814 17.9688 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.84466 9.10877 12.5871 3.99275 6.13459 11.2863 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 8.84466 9.10877 12.5871 6.46195 7.54391 14.6786 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 3.7042 7.08403 7.02367 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 9.31927 9.96969 5.91353 5.90666 9.18784 12.8123 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.86691 9.05674 4.84607 5.27905 4.82356 5.78814 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.59311 8.94909 14.4095 4.88335 8.22722 10.3827 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 5.7232 8.94909 5.37072 4.88335 8.52036 10.3827 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 8.30966 9.37459 14.6591 10.7623 9.28062 19.5847 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.30966 9.0847 12.2051 10.7623 9.28062 17.1252 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 8.30966 6.00061 9.67332 10.7623 9.28062 15.7948 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 8.30966 8.33302 6.18791 10.7623 9.28062 14.6636 numMergedOcc 0
21 mol 152 unq 4 iso 0 dist 7.69136 6.31556 5.01633 5.63285 9.28062 9.08563 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 8.53483 9.09322 7.79648 13.7852 7.16035 11.352 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 8.53483 9.09322 7.79648 9.09406 6.2675 9.98119 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 8.50695 9.60723 6.50505 7.39071 9.01531 11.352 numMergedOcc 0
25 mol 185 unq 0 iso 0 dist 6.06763 6.62848 4.53126 8.94859 9.1549 12.7697 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.45384 8.84116 5.40899 12.0957 9.14525 12.7316 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 7.45384 8.16369 4.94882 12.0957 9.14525 5.90765 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 5.76319 7.84536 4.57882 5.97525 6.10505 4.67869 numMergedOcc 0
29 mol 196 unq 1 iso 0 dist 5.30132 7.07723 4.57882 4.22321 6.10505 4.67869 numMergedOcc 0
30 mol 196 unq 2 iso 0 dist 8.36119 8.69629 6.70722 10.866 6.10505 11.2788 numMergedOcc 0
31 mol 241 unq 0 iso 0 dist 7.79013 8.18588 7.20238 11.3639 8.49869 10.0267 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 6.83706 8.69345 10.7398 3.94409 6.69951 10.0261 numMergedOcc 0
33 mol 265 unq 0 iso 0 dist 8.09021 6.78702 5.75478 3.5393 5.8898 5.7944 numMergedOcc 0
34 mol 265 unq 1 iso 0 dist 6.98451 8.59825 5.75478 3.99477 5.8898 5.7944 numMergedOcc 0
35 mol 265 unq 2 iso 0 dist 6.98451 7.83102 9.74462 3.99477 5.8898 9.78483 numMergedOcc 0
36 mol 270 unq 0 iso 0 dist 6.55866 7.05331 5.00269 5.81979 7.97614 8.65354 numMergedOcc 0
