0 mol 7 unq 0 iso 0 dist 7.38748 6.22892 5.0893 12.1855 14.0737 9.87885 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.22152 5.87895 6.7228 6.87351 13.9066 8.87744 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.22152 5.87895 6.7228 7.79018 13.3728 7.27472 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 10.5203 14.6791 6.74179 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 7.51675 11.8077 9.17838 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 6.24019 14.5701 9.86334 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 5.66803 5.54343 5.9853 5.18166 10.6898 9.86334 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 11.5216 9.79061 9.73086 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 8.55291 12.9253 9.6952 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.53914 7.4371 9.09837 5.28562 13.6103 9.77497 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 8.62711 11.2447 9.74982 14.5858 6.08673 numMergedOcc 0
12 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 7.05332 8.40461 6.89918 numMergedOcc 0
13 mol 132 unq 1 iso 0 dist 6.94745 9.43748 4.50065 7.05332 8.40461 7.89457 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 6.87456 5.30872 8.03483 5.88056 11.1097 5.37047 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 5.40826 7.5984 9.02772 14.6282 14.5081 7.36975 numMergedOcc 0
16 mol 143 unq 2 iso 0 dist 5.40826 7.5984 9.02772 7.11802 9.78214 5.40637 numMergedOcc 0
17 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 8.39434 12.4652 7.37333 numMergedOcc 0
18 mol 162 unq 1 iso 0 dist 6.59407 9.42819 9.00663 4.92282 9.44259 7.45998 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 4.44987 7.15418 4.81264 10.4801 9.0847 9.08274 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.27913 9.36307 8.27268 5.62883 12.4766 9.56028 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.72718 6.99623 5.25279 13.4486 8.09915 9.3498 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 8.72949 6.99623 5.80721 13.4486 14.9175 9.3498 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 4.81837 6.57849 5.47046 6.31671 9.40312 8.4844 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 6.43519 6.57849 7.78052 6.31671 7.53734 8.4844 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 7.66602 13.214 7.46481 numMergedOcc 0
26 mol 217 unq 0 iso 0 dist 7.60302 9.90668 8.92136 14.2983 17.5019 9.62437 numMergedOcc 0
27 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 8.1388 14.6463 6.42257 numMergedOcc 0
28 mol 223 unq 1 iso 0 dist 6.97426 9.94212 15.9255 14.288 20.1763 9.33543 numMergedOcc 0
29 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 8.1388 17.0039 6.42257 numMergedOcc 0
30 mol 223 unq 3 iso 0 dist 8.87456 9.94212 17.7343 14.288 19.7672 9.33543 numMergedOcc 0
31 mol 229 unq 0 iso 0 dist 7.48693 8.0007 8.75723 6.80826 12.6288 6.95201 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 8.63249 6.36941 7.45579 5.3331 10.2767 9.3206 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 3.28983 9.993 6.73665 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 4.91802 8.34313 6.35028 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 9.76967 9.26066 18.1328 8.13853 16.4753 6.02353 numMergedOcc 0
36 mol 284 unq 0 iso 0 dist 7.74965 7.34344 13.4636 12.1528 19.0384 5.83329 numMergedOcc 0
