0 mol 2 unq 0 iso 0 dist 6.60948 10.7144 6.52386 5.24374 6.35342 12.506 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 5.80034 4.24307 8.57437 14.8431 9.85726 17.7278 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 6.6621 6.48985 5.4424 13.4043 7.97656 11.3605 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.87317 10.0293 9.18109 11.9718 6.87871 5.66535 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.98876 6.08419 6.97361 4.58978 7.88564 5.89399 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 6.29966 7.65804 5.52402 10.051 7.29462 4.93762 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 6.29966 9.35984 6.79804 10.051 7.29462 12.0414 numMergedOcc 0
7 mol 108 unq 2 iso 0 dist 9.31725 14.3699 5.52402 15.8859 7.29462 4.93762 numMergedOcc 0
8 mol 108 unq 3 iso 0 dist 9.31725 11.9597 6.79804 15.8859 7.29462 12.0414 numMergedOcc 0
9 mol 108 unq 4 iso 0 dist 9.57358 13.8903 5.52402 14.7085 7.29462 4.93762 numMergedOcc 0
10 mol 108 unq 5 iso 0 dist 9.57358 13.7036 6.79804 14.7085 7.29462 12.0414 numMergedOcc 0
11 mol 108 unq 6 iso 0 dist 5.38329 4.85222 5.52402 4.56297 7.29462 4.93762 numMergedOcc 0
12 mol 108 unq 7 iso 0 dist 5.38329 10.7411 6.79804 4.56297 7.29462 12.0414 numMergedOcc 0
13 mol 108 unq 8 iso 0 dist 7.62421 4.85222 7.57593 4.56297 5.4057 4.93762 numMergedOcc 0
14 mol 110 unq 0 iso 0 dist 7.1891 5.76579 6.70591 7.92629 7.21229 6.12546 numMergedOcc 0
15 mol 110 unq 1 iso 0 dist 7.1891 5.76579 6.70591 4.65767 5.25492 6.39786 numMergedOcc 0
16 mol 110 unq 2 iso 0 dist 7.1891 7.87269 5.43052 7.92629 7.21229 9.24029 numMergedOcc 0
17 mol 110 unq 3 iso 0 dist 7.1891 7.87269 5.43052 4.65767 5.25492 8.50777 numMergedOcc 0
18 mol 110 unq 4 iso 0 dist 7.67702 9.62408 6.70591 9.86374 7.21229 6.12546 numMergedOcc 0
19 mol 110 unq 5 iso 0 dist 7.67702 9.62408 6.70591 5.33778 5.25492 6.39786 numMergedOcc 0
20 mol 110 unq 6 iso 0 dist 7.67702 10.5488 5.43052 9.86374 7.21229 9.24029 numMergedOcc 0
21 mol 110 unq 7 iso 0 dist 7.67702 10.5488 5.43052 5.33778 5.25492 8.50777 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 5.38954 8.64874 6.81489 5.17524 7.70533 10.0087 numMergedOcc 0
23 mol 127 unq 0 iso 0 dist 9.78409 11.8683 8.88979 11.3174 8.40046 6.09267 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 7.9678 7.44958 6.09754 9.7129 8.43584 4.78067 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 9.65375 12.2018 6.11539 17.1285 8.68464 5.70808 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 9.65375 19.0053 9.71082 17.1285 8.68464 4.86949 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 9.5831 5.55026 9.36753 11.5103 5.89084 12.0816 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 9.5831 5.55026 9.36753 4.98993 8.47009 6.94762 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 5.59164 6.16765 9.46728 5.77573 6.83152 11.9383 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 5.59164 6.16765 9.46728 4.67735 5.24313 9.23693 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 6.86905 8.46302 8.20243 5.88384 5.56719 4.7157 numMergedOcc 0
32 mol 255 unq 0 iso 0 dist 6.62375 13.2407 8.22083 4.52117 6.57549 12.7687 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 9.23807 3.96435 8.05522 5.0006 9.01085 5.428 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 9.23807 3.96435 8.05522 7.59549 6.28512 4.75604 numMergedOcc 0
35 mol 264 unq 2 iso 0 dist 9.23807 13.2227 9.8799 5.0006 9.01085 11.079 numMergedOcc 0
36 mol 264 unq 3 iso 0 dist 9.23807 13.2227 9.8799 7.59549 6.28512 12.5841 numMergedOcc 0
37 mol 264 unq 4 iso 0 dist 8.49619 12.1779 8.05522 12.0886 9.01085 5.428 numMergedOcc 0
38 mol 264 unq 5 iso 0 dist 8.49619 12.1779 8.05522 7.58851 6.28512 4.75604 numMergedOcc 0
39 mol 264 unq 6 iso 0 dist 8.49619 13.6237 9.8799 12.0886 9.01085 11.079 numMergedOcc 0
40 mol 264 unq 7 iso 0 dist 8.49619 13.6237 9.8799 7.58851 6.28512 12.5841 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 5.14122 9.76011 6.98812 11.5005 9.59213 5.58514 numMergedOcc 0
42 mol 273 unq 0 iso 0 dist 6.98729 3.64938 9.12505 4.89166 7.89852 8.06201 numMergedOcc 0
43 mol 294 unq 0 iso 0 dist 7.6859 11.4279 5.27236 9.07177 6.47832 5.57606 numMergedOcc 0
44 mol 294 unq 1 iso 0 dist 8.35722 9.32276 5.27236 5.08625 6.47832 5.57606 numMergedOcc 0
