0 mol 38 unq 0 iso 0 dist 9.23576 9.18985 11.3707 7.35595 7.50293 14.1941 4.57886 7.26639 10.1111 4.40004 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 9.23576 9.18985 11.3707 8.59794 9.91611 16.859 4.57886 7.26639 10.1111 8.68364 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.82095 9.34193 9.49968 5.63638 6.65595 12.1928 7.32774 7.57295 6.63448 7.80499 numMergedOcc 0
3 mol 60 unq 1 iso 0 dist 8.82095 9.34193 9.49968 5.95814 9.25011 11.3973 7.32774 7.57295 6.63448 5.6397 numMergedOcc 0
4 mol 60 unq 2 iso 0 dist 8.82095 9.34193 9.49968 13.6099 6.43294 11.816 7.32774 7.57295 6.63448 8.62476 numMergedOcc 0
5 mol 60 unq 3 iso 0 dist 8.82095 9.34193 9.49968 12.0142 8.52121 12.3484 7.32774 7.57295 6.63448 6.55502 numMergedOcc 0
6 mol 60 unq 4 iso 0 dist 6.27749 9.34193 5.32257 5.63638 8.90863 12.1928 4.44758 9.95132 11.2466 8.27828 numMergedOcc 0
7 mol 60 unq 5 iso 0 dist 6.27749 9.34193 5.32257 5.63638 8.90863 12.1928 7.32774 7.48086 6.63448 7.80499 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.514 7.2131 8.55834 11.8037 7.4729 10.5753 12.7532 8.3773 13.673 4.46885 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.514 7.44343 9.50382 11.8037 7.4729 6.95572 12.7532 8.3773 9.92987 4.46885 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.40046 8.70738 12.7065 9.75166 9.30299 13.295 12.1959 6.08673 18.3909 12.8087 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.4473 5.80404 5.81428 15.4455 8.22656 13.5737 12.9426 7.22643 11.9279 6.9945 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 9.4473 5.80404 5.81428 11.1611 6.82262 10.9779 12.9426 7.22643 11.9279 4.19723 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 7.86625 9.68323 7.68794 5.40949 9.31746 6.73956 4.82437 9.56028 13.3817 8.82964 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.43584 6.05667 11.6232 12.4616 9.61492 15.8388 14.6356 6.49765 18.0562 10.6504 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.43584 6.05667 11.6232 10.6123 7.45763 16.0523 14.6356 6.49765 18.0562 8.67921 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 9.75313 6.48885 10.7174 6.46679 6.61986 10.0553 3.56689 8.08349 5.05368 5.13732 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 6.77279 9.69025 8.41846 7.55268 8.53687 15.5791 9.90573 9.07743 14.6679 6.73882 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 6.77279 9.69025 8.41846 5.71237 8.13497 7.98231 9.90573 9.07743 14.6679 8.8603 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 9.58006 9.69025 8.81835 5.71237 7.88519 7.98231 12.7528 9.63573 11.547 7.20604 numMergedOcc 0
20 mol 259 unq 3 iso 0 dist 9.58006 9.69025 8.81835 5.71237 7.88519 7.98231 9.90573 7.66153 14.6679 8.8603 numMergedOcc 0
21 mol 259 unq 4 iso 0 dist 9.58006 9.69025 8.81835 9.10984 7.84554 11.6972 12.7528 9.63573 11.547 5.05362 numMergedOcc 0
22 mol 259 unq 5 iso 0 dist 9.58006 9.69025 8.81835 9.10984 7.84554 11.6972 9.90573 7.66153 14.6679 5.8801 numMergedOcc 0
23 mol 259 unq 6 iso 0 dist 9.58006 9.69025 8.81835 11.8501 7.46176 7.08526 12.7528 9.63573 11.547 5.21606 numMergedOcc 0
24 mol 259 unq 7 iso 0 dist 9.58006 9.69025 8.81835 11.8501 7.46176 7.08526 9.90573 7.66153 14.6679 11.8896 numMergedOcc 0
25 mol 259 unq 8 iso 0 dist 9.58006 9.69025 8.81835 13.9868 9.18903 15.8414 12.7528 9.63573 11.547 7.46841 numMergedOcc 0
26 mol 259 unq 9 iso 0 dist 9.58006 9.69025 8.81835 13.9868 9.18903 15.8414 9.90573 7.66153 14.6679 5.81576 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 6.90434 5.92532 7.70529 13.2927 9.7748 16.795 8.51268 9.35539 12.9467 11.4555 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 6.90434 5.92532 7.70529 13.2927 9.7748 16.795 13.3706 8.9682 9.26157 17.6038 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 6.90434 5.92532 7.70529 13.2927 9.7748 16.795 12.1739 6.92711 9.11117 14.772 numMergedOcc 0
