0 mol 5 unq 0 iso 0 dist 7.4332 8.33646 6.14476 8.94762 8.34817 4.70478 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.74528 7.86896 6.84216 11.3059 9.89425 4.10106 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.70331 14.036 8.91596 4.87576 8.78511 10.7345 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.32525 7.02846 8.06267 12.2859 9.63906 5.74372 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 9.05444 7.02846 5.88334 12.2859 7.71872 5.74372 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 4.8983 4.30874 7.37171 5.75925 4.27766 6.41115 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 4.8983 6.97502 8.62079 5.75925 4.27766 5.9144 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 5.91098 10.2219 7.61521 13.363 9.57759 4.09069 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 4.86523 7.74851 7.61521 7.37421 9.57759 4.09069 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.66427 8.38101 5.85237 12.4236 5.37869 6.92455 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 8.66427 8.38101 5.85237 9.61831 4.05415 7.01366 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 8.66427 8.38101 5.85237 11.3963 9.97944 14.8822 numMergedOcc 0
12 mol 85 unq 3 iso 0 dist 8.66427 9.01135 9.11768 12.4236 5.37869 8.32224 numMergedOcc 0
13 mol 85 unq 4 iso 0 dist 8.66427 9.01135 9.11768 9.61831 4.05415 6.15019 numMergedOcc 0
14 mol 85 unq 5 iso 0 dist 8.66427 9.01135 9.11768 11.3963 9.97944 12.6518 numMergedOcc 0
15 mol 85 unq 6 iso 0 dist 7.51319 10.7979 7.69926 8.08787 4.29937 6.92455 numMergedOcc 0
16 mol 85 unq 7 iso 0 dist 7.51319 10.7979 7.69926 10.4844 3.65628 7.01366 numMergedOcc 0
17 mol 85 unq 8 iso 0 dist 7.51319 10.7979 7.69926 16.4231 9.77774 14.8822 numMergedOcc 0
18 mol 85 unq 9 iso 0 dist 8.49887 10.7979 5.85237 8.08787 5.37869 6.92455 numMergedOcc 0
19 mol 85 unq 10 iso 0 dist 8.49887 10.7979 5.85237 10.4844 4.05415 7.01366 numMergedOcc 0
20 mol 85 unq 11 iso 0 dist 8.49887 10.7979 5.85237 16.4231 9.97944 14.8822 numMergedOcc 0
21 mol 85 unq 12 iso 0 dist 8.49887 15.9875 9.11768 8.08787 5.37869 8.32224 numMergedOcc 0
22 mol 85 unq 13 iso 0 dist 8.49887 15.9875 9.11768 10.4844 4.05415 6.15019 numMergedOcc 0
23 mol 85 unq 14 iso 0 dist 8.49887 15.9875 9.11768 16.4231 9.97944 12.6518 numMergedOcc 0
24 mol 85 unq 15 iso 0 dist 9.43839 14.4751 7.69926 11.053 4.29937 6.92455 numMergedOcc 0
25 mol 85 unq 16 iso 0 dist 9.43839 14.4751 7.69926 7.97629 3.65628 7.01366 numMergedOcc 0
26 mol 85 unq 17 iso 0 dist 9.43839 14.4751 7.69926 5.46713 9.77774 14.8822 numMergedOcc 0
27 mol 95 unq 0 iso 0 dist 9.02905 4.33346 7.51733 8.32734 4.3439 4.99174 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 9.02905 4.33346 7.51733 4.79063 6.05855 4.46005 numMergedOcc 0
29 mol 95 unq 2 iso 0 dist 9.02905 7.47119 9.01607 8.32734 4.3439 8.67311 numMergedOcc 0
30 mol 95 unq 3 iso 0 dist 9.02905 7.47119 9.01607 4.79063 6.05855 3.94293 numMergedOcc 0
31 mol 107 unq 0 iso 0 dist 7.2168 13.5052 9.45682 9.89064 5.31375 10.1994 numMergedOcc 0
32 mol 107 unq 1 iso 0 dist 7.2168 13.5052 9.45682 13.076 6.49371 12.9752 numMergedOcc 0
33 mol 112 unq 0 iso 0 dist 9.64908 10.746 6.87434 6.13615 5.92828 6.95317 numMergedOcc 0
34 mol 112 unq 1 iso 0 dist 9.64908 10.746 6.87434 4.49971 9.1247 7.57713 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 9.99012 17.4764 8.64905 12.1494 6.60366 7.39837 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 5.33772 5.11989 8.64905 7.11802 6.60366 7.39837 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 8.09561 10.0459 6.79114 14.2685 8.60651 4.94983 numMergedOcc 0
38 mol 186 unq 0 iso 0 dist 4.79423 8.24478 5.90765 9.5548 8.92135 3.90244 numMergedOcc 0
39 mol 194 unq 0 iso 0 dist 7.56217 13.445 9.52922 5.39223 4.45769 10.0756 numMergedOcc 0
40 mol 194 unq 1 iso 0 dist 7.56217 13.445 9.52922 7.15294 8.99961 16.4082 numMergedOcc 0
41 mol 194 unq 2 iso 0 dist 9.81055 18.4888 9.38984 5.39223 5.89939 13.9836 numMergedOcc 0
42 mol 194 unq 3 iso 0 dist 9.81055 18.4888 9.38984 7.15294 8.18853 13.9116 numMergedOcc 0
43 mol 194 unq 4 iso 0 dist 9.81055 19.6126 9.91118 5.39223 5.89939 15.5573 numMergedOcc 0
44 mol 194 unq 5 iso 0 dist 9.81055 19.6126 9.91118 7.15294 8.18853 16.1172 numMergedOcc 0
45 mol 205 unq 0 iso 0 dist 8.83628 14.3203 9.31158 6.31671 7.68686 8.97813 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 6.06793 5.68772 9.57465 6.97024 7.99036 6.03044 numMergedOcc 0
47 mol 228 unq 0 iso 0 dist 6.9196 5.85714 9.25785 11.5135 8.92379 9.3302 numMergedOcc 0
48 mol 228 unq 1 iso 0 dist 6.72203 5.79543 9.01231 11.5792 9.06403 9.39743 numMergedOcc 0
49 mol 251 unq 0 iso 0 dist 8.15014 7.54315 8.45764 5.04918 7.72528 11.5298 numMergedOcc 0
50 mol 251 unq 1 iso 0 dist 6.06154 6.33949 8.45764 12.3351 7.72528 11.5298 numMergedOcc 0
51 mol 252 unq 0 iso 0 dist 9.09279 5.96471 8.55044 15.5357 9.81261 12.2555 numMergedOcc 0
52 mol 253 unq 0 iso 0 dist 9.80396 6.27022 8.94786 12.9816 9.454 10.1605 numMergedOcc 0
53 mol 277 unq 0 iso 0 dist 4.1545 10.4297 7.42932 6.65084 5.13533 4.40029 numMergedOcc 0
54 mol 277 unq 1 iso 0 dist 4.1545 5.77904 4.9764 6.65084 5.13533 3.97543 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 9.25289 8.15589 9.96374 14.8716 9.21469 17.5073 numMergedOcc 0
56 mol 292 unq 1 iso 0 dist 9.29687 15.908 9.96374 14.3247 9.21469 17.5073 numMergedOcc 0
