0 mol 38 unq 0 iso 0 dist 9.49676 6.12374 5.96514 4.46801 11.9552 7.00717 8.95116 8.3311 3.50961 8.50003 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 9.04935 8.52697 10.0025 8.47393 7.06029 9.04293 9.9818 6.35003 6.48468 4.78333 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.66549 6.24296 13.0679 3.81285 13.0986 4.29937 6.83218 15.4283 3.78063 3.65628 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 9.66549 6.24296 13.0679 3.81285 13.0986 4.29937 10.9154 19.5762 13.0538 9.77774 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 9.66549 6.24296 13.0679 6.17121 15.3589 5.37869 6.83218 15.4283 3.78063 4.05415 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 9.66549 6.24296 13.0679 6.17121 15.3589 5.37869 10.9154 19.5762 13.0538 9.97944 numMergedOcc 0
6 mol 85 unq 4 iso 0 dist 9.66549 6.83218 15.4283 3.81285 13.0986 3.65628 6.24296 13.0679 3.78063 4.29937 numMergedOcc 0
7 mol 85 unq 5 iso 0 dist 9.66549 6.83218 15.4283 3.81285 13.0986 3.65628 10.9154 19.5762 9.79029 9.77774 numMergedOcc 0
8 mol 85 unq 6 iso 0 dist 9.66549 6.83218 15.4283 6.17121 15.3589 4.05415 6.24296 13.0679 3.78063 5.37869 numMergedOcc 0
9 mol 85 unq 7 iso 0 dist 9.66549 6.83218 15.4283 6.17121 15.3589 4.05415 10.9154 19.5762 9.79029 9.97944 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 8.84466 9.43355 3.91263 3.99275 6.13459 8.28591 5.64141 5.59024 5.21654 5.35008 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 8.84466 9.43355 3.91263 3.99275 6.13459 8.28591 5.46186 12.9872 13.3531 8.30921 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 8.84466 9.43355 3.91263 6.46195 7.54391 9.40687 5.64141 5.59024 5.21654 8.84576 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 8.84466 9.43355 3.91263 6.46195 7.54391 9.40687 5.46186 12.9872 13.3531 7.39732 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 8.84466 5.64141 5.59024 3.99275 6.13459 5.35008 9.43355 3.91263 5.21654 8.28591 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 8.84466 5.64141 5.59024 3.99275 6.13459 5.35008 5.46186 12.9872 10.7398 8.30921 numMergedOcc 0
16 mol 93 unq 6 iso 0 dist 8.84466 5.64141 5.59024 6.46195 7.54391 8.84576 9.43355 3.91263 5.21654 9.40687 numMergedOcc 0
17 mol 93 unq 7 iso 0 dist 8.84466 5.64141 5.59024 6.46195 7.54391 8.84576 5.46186 12.9872 10.7398 7.39732 numMergedOcc 0
18 mol 93 unq 8 iso 0 dist 8.84466 5.46186 12.9872 3.99275 6.13459 8.30921 9.43355 3.91263 13.3531 8.28591 numMergedOcc 0
19 mol 93 unq 9 iso 0 dist 8.84466 5.46186 12.9872 3.99275 6.13459 8.30921 5.64141 5.59024 10.7398 5.35008 numMergedOcc 0
20 mol 93 unq 10 iso 0 dist 8.84466 5.46186 12.9872 6.46195 7.54391 7.39732 9.43355 3.91263 13.3531 9.40687 numMergedOcc 0
21 mol 93 unq 11 iso 0 dist 8.84466 5.46186 12.9872 6.46195 7.54391 7.39732 5.64141 5.59024 10.7398 8.84576 numMergedOcc 0
22 mol 93 unq 12 iso 0 dist 9.2948 9.43355 15.8131 3.99275 12.7932 8.28591 5.64141 13.6266 5.21654 5.35008 numMergedOcc 0
23 mol 93 unq 13 iso 0 dist 9.2948 9.43355 15.8131 3.99275 12.7932 8.28591 5.46186 5.17052 13.3531 8.30921 numMergedOcc 0
24 mol 93 unq 14 iso 0 dist 9.2948 9.43355 15.8131 6.46195 11.756 9.40687 5.64141 13.6266 5.21654 8.84576 numMergedOcc 0
25 mol 93 unq 15 iso 0 dist 9.2948 9.43355 15.8131 6.46195 11.756 9.40687 5.46186 5.17052 13.3531 7.39732 numMergedOcc 0
26 mol 93 unq 16 iso 0 dist 9.2948 5.64141 13.6266 3.99275 12.7932 5.35008 9.43355 15.8131 5.21654 8.28591 numMergedOcc 0
27 mol 93 unq 17 iso 0 dist 9.2948 5.64141 13.6266 3.99275 12.7932 5.35008 5.46186 5.17052 10.7398 8.30921 numMergedOcc 0
28 mol 93 unq 18 iso 0 dist 9.2948 5.64141 13.6266 6.46195 11.756 8.84576 9.43355 15.8131 5.21654 9.40687 numMergedOcc 0
29 mol 93 unq 19 iso 0 dist 9.2948 5.64141 13.6266 6.46195 11.756 8.84576 5.46186 5.17052 10.7398 7.39732 numMergedOcc 0
30 mol 93 unq 20 iso 0 dist 9.2948 5.46186 5.17052 3.99275 12.7932 8.30921 9.43355 15.8131 13.3531 8.28591 numMergedOcc 0
31 mol 93 unq 21 iso 0 dist 9.2948 5.46186 5.17052 3.99275 12.7932 8.30921 5.64141 13.6266 10.7398 5.35008 numMergedOcc 0
32 mol 93 unq 22 iso 0 dist 9.2948 5.46186 5.17052 6.46195 11.756 7.39732 9.43355 15.8131 13.3531 9.40687 numMergedOcc 0
33 mol 93 unq 23 iso 0 dist 9.2948 5.46186 5.17052 6.46195 11.756 7.39732 5.64141 13.6266 10.7398 8.84576 numMergedOcc 0
34 mol 147 unq 0 iso 0 dist 8.93916 8.10157 16.3583 3.75216 12.3949 5.12272 10.1742 16.6032 5.10774 7.7464 numMergedOcc 0
35 mol 169 unq 0 iso 0 dist 8.56204 8.66311 14.9735 3.86496 7.33643 8.93091 10.2304 14.6592 3.71099 9.06172 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 7.45384 9.22792 14.8878 10.2655 16.8555 6.94594 14.9167 19.8955 6.09215 9.17458 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 7.45384 9.22792 14.8878 11.6331 18.3974 5.81881 14.9167 19.8955 6.09215 7.36794 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.19213 9.98518 10.8866 3.76412 8.82649 8.06767 10.8038 6.15828 13.523 9.91087 numMergedOcc 0
39 mol 287 unq 1 iso 0 dist 5.80664 9.98518 7.54288 3.76412 7.35776 8.06767 10.8038 13.3294 13.523 9.91087 numMergedOcc 0
40 mol 288 unq 0 iso 0 dist 8.19213 9.98518 10.8866 3.76412 8.82649 8.06767 10.8038 6.15828 13.523 9.91087 numMergedOcc 0
41 mol 288 unq 1 iso 0 dist 5.80664 9.98518 7.54288 3.76412 7.35776 8.06767 10.8038 13.3294 13.523 9.91087 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 8.19213 9.98518 10.8866 3.76412 8.82649 8.06767 10.8038 6.15828 13.523 9.91087 numMergedOcc 0
43 mol 289 unq 1 iso 0 dist 5.80664 9.98518 7.54288 3.76412 7.35776 8.06767 10.8038 13.3294 13.523 9.91087 numMergedOcc 0
