0 mol 12 unq 0 iso 0 dist 6.6051 8.17618 6.67154 11.1357 8.18139 14.3876 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 4.5844 7.13565 12.3291 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.37901 5.66319 7.83082 7.11991 6.72365 10.0077 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 12.665 7.34325 17.2512 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.53081 5.36645 12.299 14.1985 6.42037 18.1122 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.06188 8.89758 4.6365 5.75684 8.3491 12.7175 numMergedOcc 0
6 mol 53 unq 0 iso 0 dist 6.70095 8.94173 7.7232 5.86191 8.56916 14.0061 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 5.66803 5.54343 5.9853 7.91421 7.11238 11.4345 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.85416 9.99634 6.43864 5.48409 7.11238 11.38 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 11.5216 9.79061 9.73086 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.54778 5.97879 5.0333 5.33859 8.40389 5.7144 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 5.83719 6.65963 4.98711 7.4454 9.35701 10.9428 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 7.4454 9.35701 14.0031 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 7.05332 8.40461 6.89918 numMergedOcc 0
14 mol 132 unq 1 iso 0 dist 6.94745 9.43748 4.50065 7.05332 8.40461 7.89457 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 9.9368 8.55431 7.18851 15.7186 9.45909 11.6709 numMergedOcc 0
16 mol 170 unq 0 iso 0 dist 4.44987 7.15418 4.81264 5.22242 8.38932 12.1718 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.72718 6.99623 5.25279 13.4486 8.09915 9.3498 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.87574 7.24395 10.0277 8.69902 9.40433 14.4021 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 6.43519 6.57849 7.78052 6.31671 7.53734 8.4844 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 6.50756 9.85951 5.55687 4.606 9.5745 11.6279 numMergedOcc 0
21 mol 223 unq 0 iso 0 dist 8.87456 9.94212 17.7343 13.934 9.94483 19.285 numMergedOcc 0
22 mol 223 unq 1 iso 0 dist 8.87456 7.34316 12.9895 13.934 9.94483 20.5612 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 15.0178 8.75172 19.0739 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 8.63249 6.36941 7.45579 15.0178 8.75172 15.106 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 7.74348 9.96011 13.0929 7.69003 8.75172 14.8528 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 3.28983 9.993 6.73665 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 6.65084 6.42951 13.3371 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 8.15119 8.35794 7.94155 6.65084 6.42951 12.1398 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 4.91802 8.34313 6.35028 numMergedOcc 0
