0 mol 83 unq 0 iso 0 dist 9.94635 11.0193 7.09118 16.5636 10.3761 5.9281 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 9.86038 7.59896 5.72961 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.98606 7.07175 9.93806 7.33353 8.53624 7.87729 numMergedOcc 0
3 mol 107 unq 0 iso 0 dist 8.83855 3.85355 6.36246 9.8143 3.35244 7.82303 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 6.29634 9.79485 8.81779 16.3727 13.139 7.62197 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 13.6695 5.77936 9.56342 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 6.54995 6.56076 7.27002 11.461 7.82355 9.40912 numMergedOcc 0
7 mol 163 unq 1 iso 0 dist 5.27374 9.55758 7.27002 11.4568 7.82355 9.40912 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 11.389 3.46183 7.6741 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.71602 10.2652 7.9637 13.2557 5.18849 7.88501 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.71602 10.2652 7.9637 16.348 10.0163 9.09585 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.25305 8.4512 6.61806 10.1566 5.73483 5.19567 numMergedOcc 0
12 mol 218 unq 0 iso 0 dist 6.02521 5.68266 6.45821 7.68062 3.33782 5.4621 numMergedOcc 0
13 mol 218 unq 1 iso 0 dist 6.02521 5.68266 6.45821 10.7563 9.06704 8.91819 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 6.99256 3.28958 6.31092 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 9.62797 15.5012 8.48604 13.6485 4.62296 6.19029 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 9.62797 12.3764 9.35873 13.6485 4.62296 9.99655 numMergedOcc 0
17 mol 232 unq 2 iso 0 dist 6.69874 12.6517 8.48604 10.8902 4.62296 6.19029 numMergedOcc 0
18 mol 232 unq 3 iso 0 dist 6.69874 10.7344 9.35873 10.8902 4.62296 9.99655 numMergedOcc 0
19 mol 232 unq 4 iso 0 dist 5.40264 8.6969 8.48604 8.32831 4.62296 6.19029 numMergedOcc 0
20 mol 232 unq 5 iso 0 dist 5.40264 7.30087 9.35873 8.32831 4.62296 9.99655 numMergedOcc 0
21 mol 232 unq 6 iso 0 dist 7.91491 4.92492 8.48604 7.91213 4.62296 6.19029 numMergedOcc 0
22 mol 232 unq 7 iso 0 dist 7.91491 5.3964 9.35873 7.91213 4.62296 9.99655 numMergedOcc 0
23 mol 237 unq 0 iso 0 dist 7.11512 6.68355 8.32964 14.486 16.3355 8.96803 numMergedOcc 0
24 mol 237 unq 1 iso 0 dist 7.11512 6.68355 8.32964 9.33231 5.16567 7.95072 numMergedOcc 0
