0 mol 13 unq 0 iso 0 dist 9.11704 7.84471 6.52528 12.7505 10.3024 9.45635 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.05123 7.89733 8.83891 11.7095 6.3431 8.85174 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.90896 11.5216 9.79061 5.79954 4.78435 9.73086 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.90896 11.5216 9.79061 10.4766 6.33833 7.4369 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.7142 13.0959 9.73179 12.1691 4.80624 6.72869 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.7142 13.0959 9.73179 20.8189 14.1154 9.85905 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.54778 5.33859 8.40389 5.97879 5.0333 5.7144 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.57909 10.2125 8.40389 11.646 5.0333 5.7144 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.33293 5.84634 7.84768 9.71126 4.75197 7.69765 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 6.94745 7.05332 8.40461 6.495 5.28089 6.89918 numMergedOcc 0
10 mol 132 unq 1 iso 0 dist 6.94745 7.05332 8.40461 9.43748 4.50065 7.89457 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 8.10386 11.6479 9.66676 13.9679 11.4871 9.08274 numMergedOcc 0
12 mol 170 unq 1 iso 0 dist 8.10386 11.6479 9.66676 13.5425 6.45787 9.51256 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 6.72718 13.4486 8.09915 6.99623 5.25279 9.3498 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 6.72718 13.4486 8.09915 11.2207 9.29114 7.05695 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.87574 8.69902 9.40433 10.7197 9.33462 9.31526 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 6.43519 6.31671 7.53734 11.8897 13.6728 7.21137 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 6.43519 6.31671 7.53734 6.57849 7.78052 8.4844 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 6.52136 6.86345 8.43994 10.523 4.88904 9.21377 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.05949 10.8542 7.80421 10.7281 5.92474 8.63693 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.48545 3.28983 9.993 9.27989 13.3838 6.73665 numMergedOcc 0
21 mol 239 unq 1 iso 0 dist 8.48545 3.28983 9.993 12.015 16.5315 9.34438 numMergedOcc 0
22 mol 239 unq 2 iso 0 dist 8.48545 3.28983 9.993 11.3081 10.3956 9.35949 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 9.40767 7.45603 5.88708 12.1931 6.36792 6.87333 numMergedOcc 0
24 mol 255 unq 1 iso 0 dist 9.40767 7.45603 5.88708 10.7924 4.95139 9.86207 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.03486 4.91802 8.34313 6.47376 4.51031 6.35028 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 5.83342 7.60595 9.63325 14.7681 16.264 7.20674 numMergedOcc 0
27 mol 292 unq 1 iso 0 dist 5.83342 6.03488 8.67283 13.6276 11.1808 9.9886 numMergedOcc 0
