0 mol 24 unq 0 iso 0 dist 7.84552 5.65754 7.19357 10.0962 7.18124 8.25818 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.84552 5.65754 7.19357 8.56474 6.47026 10.2171 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.75449 7.88072 3.30907 4.83638 9.13786 9.63882 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 7.75449 7.88072 3.30907 5.2103 8.56807 6.87277 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.22018 7.61377 9.23222 7.31044 5.83263 12.5231 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 9.25631 6.89855 5.98039 5.04771 7.73753 8.14512 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 7.87739 7.85738 5.98039 9.28052 7.73753 8.14512 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 9.16773 6.90923 4.3266 15.4558 8.90965 11.3682 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 9.00217 5.26566 5.29172 5.08181 8.32093 7.7485 numMergedOcc 0
9 mol 68 unq 1 iso 0 dist 9.00217 6.27118 9.45705 5.08181 8.32093 9.48425 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 7.65495 9.93747 7.34534 3.74336 9.15754 10.7823 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 7.65495 9.39265 5.54567 3.74336 9.15754 9.2057 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 8.96872 9.43839 11.4354 9.99421 8.87977 8.49871 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 8.70907 8.55758 9.96742 9.6722 6.9447 10.8976 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.70907 7.44027 7.75947 9.6722 6.9447 10.3155 numMergedOcc 0
15 mol 107 unq 0 iso 0 dist 8.93032 9.1849 4.3023 11.0987 8.15179 11.949 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.07685 9.27714 10.9272 5.34159 9.56702 13.9538 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 7.80955 9.88912 5.77936 7.86779 9.67872 10.7246 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 7.80955 9.46218 12.2501 7.86779 9.67872 16.8281 numMergedOcc 0
19 mol 162 unq 2 iso 0 dist 7.93307 9.88912 12.3926 10.5848 8.70516 15.9243 numMergedOcc 0
20 mol 162 unq 3 iso 0 dist 7.93307 9.46218 6.41455 10.5848 8.70516 14.8826 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 5.67457 8.5544 5.05833 4.75805 6.03495 10.7976 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 7.5725 8.01593 3.28958 4.45276 8.89873 9.47092 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 9.27812 6.48382 10.0357 7.52317 8.53393 8.25286 numMergedOcc 0
24 mol 266 unq 1 iso 0 dist 9.27812 6.48382 10.0357 9.52953 7.24165 9.9965 numMergedOcc 0
25 mol 272 unq 0 iso 0 dist 7.67597 9.87477 10.3925 4.58591 5.20568 11.996 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.71214 8.17436 7.67746 9.08224 9.97939 4.68668 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.71214 8.17436 7.67746 9.08224 9.97939 4.68668 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.71214 8.17436 7.67746 9.08224 9.97939 4.68668 numMergedOcc 0
