0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 8.24206 13.3337 7.37981 13.5517 7.19817 9.6994 12.7599 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.5614 5.25456 7.15528 6.19218 6.83587 7.19621 13.5517 7.19817 9.6994 9.95 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 5.55156 7.1599 7.15528 13.6664 13.3337 7.37981 12.3538 7.19817 9.6994 12.7599 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 5.55156 7.1599 7.15528 7.19397 6.83587 7.19621 12.3538 7.19817 9.6994 9.95 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.17898 5.72175 5.05803 12.7747 5.38671 8.33883 10.6491 6.92781 6.31718 5.45161 numMergedOcc 0
5 mol 16 unq 1 iso 0 dist 7.46752 5.66097 7.63133 7.88676 6.53177 5.84479 10.8592 10.8455 6.31718 5.35079 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 8.8058 12.5818 6.43294 17.6549 9.96073 5.83937 17.8366 10.6819 6.65595 6.62193 numMergedOcc 0
7 mol 60 unq 1 iso 0 dist 8.8058 12.5818 6.43294 17.6549 9.96073 5.83937 17.4408 11.3621 9.25011 10.9885 numMergedOcc 0
8 mol 60 unq 2 iso 0 dist 8.8058 12.5818 6.43294 17.6549 9.96073 5.83937 12.1949 5.51199 8.52121 11.2445 numMergedOcc 0
9 mol 60 unq 3 iso 0 dist 8.8058 12.5818 6.43294 18.4839 13.6099 8.82095 17.8366 10.6819 6.65595 5.63638 numMergedOcc 0
10 mol 60 unq 4 iso 0 dist 8.8058 12.5818 6.43294 18.4839 13.6099 8.82095 17.4408 11.3621 9.25011 5.95814 numMergedOcc 0
11 mol 60 unq 5 iso 0 dist 8.8058 12.5818 6.43294 18.4839 13.6099 8.82095 12.1949 5.51199 8.52121 12.0142 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 5.39171 5.2774 6.89722 10.392 5.4148 9.96396 10.4716 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 5.39171 5.2774 6.89722 18.5427 13.3558 8.70481 13.9156 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 6.30194 10.5627 6.19304 9.27355 5.44275 7.26679 10.392 5.4148 9.96396 8.31041 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 6.30194 10.5627 6.19304 9.27355 5.44275 7.26679 18.5427 13.3558 8.70481 11.2674 numMergedOcc 0
16 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 15.5908 10.4716 6.89722 10.4766 5.4148 6.19304 5.2774 numMergedOcc 0
17 mol 73 unq 5 iso 0 dist 5.79954 12.8388 9.96396 15.5908 10.4716 6.89722 15.4777 14.9342 8.70481 13.9156 numMergedOcc 0
18 mol 73 unq 6 iso 0 dist 5.79954 12.8388 9.96396 12.802 8.31041 7.26679 10.4766 5.4148 6.19304 5.44275 numMergedOcc 0
19 mol 73 unq 7 iso 0 dist 5.79954 12.8388 9.96396 12.802 8.31041 7.26679 15.4777 14.9342 8.70481 11.2674 numMergedOcc 0
20 mol 73 unq 8 iso 0 dist 7.01889 15.0744 9.96396 14.6774 10.4716 6.89722 10.997 5.4148 6.19304 5.2774 numMergedOcc 0
21 mol 73 unq 9 iso 0 dist 7.01889 15.0744 9.96396 14.6774 10.4716 6.89722 17.1639 14.9342 8.70481 13.9156 numMergedOcc 0
22 mol 73 unq 10 iso 0 dist 7.01889 15.0744 9.96396 10.4858 8.31041 7.26679 10.997 5.4148 6.19304 5.44275 numMergedOcc 0
23 mol 73 unq 11 iso 0 dist 7.01889 15.0744 9.96396 10.4858 8.31041 7.26679 17.1639 14.9342 8.70481 11.2674 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.15203 9.71227 8.22656 19.033 15.4455 9.4473 11.0475 5.61668 6.82262 11.1611 numMergedOcc 0
25 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 6.21546 5.50014 8.69888 12.3723 6.2715 9.0018 11.5099 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 6.73365 5.73338 5.6234 6.21546 5.50014 8.69888 9.45659 5.35493 6.57069 7.39186 numMergedOcc 0
27 mol 175 unq 2 iso 0 dist 6.73365 5.73338 5.6234 6.03184 7.28617 5.08206 12.3723 6.2715 9.0018 12.1783 numMergedOcc 0
28 mol 175 unq 3 iso 0 dist 6.73365 5.73338 5.6234 6.03184 7.28617 5.08206 9.45659 5.35493 6.57069 5.77256 numMergedOcc 0
29 mol 175 unq 4 iso 0 dist 9.45659 5.73338 6.57069 6.21546 7.39186 8.69888 12.3723 8.16421 9.0018 11.5099 numMergedOcc 0
30 mol 175 unq 5 iso 0 dist 9.45659 5.73338 6.57069 6.21546 7.39186 8.69888 6.73365 5.35493 5.6234 5.50014 numMergedOcc 0
31 mol 175 unq 6 iso 0 dist 9.45659 5.73338 6.57069 6.03184 5.77256 5.08206 12.3723 8.16421 9.0018 12.1783 numMergedOcc 0
32 mol 175 unq 7 iso 0 dist 9.45659 5.73338 6.57069 6.03184 5.77256 5.08206 6.73365 5.35493 5.6234 7.28617 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 7.62593 5.41021 9.33771 9.04374 4.70378 6.57273 4.91322 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 4.79841 11.4653 8.95269 7.62593 5.41021 9.33771 15.1903 11.5372 5.78342 12.979 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 7.25658 5.38198 6.65832 11.7971 7.65225 7.39839 10.8312 6.77699 6.60589 4.91322 numMergedOcc 0
36 mol 224 unq 3 iso 0 dist 7.25658 5.38198 6.65832 11.7971 7.65225 7.39839 11.1589 11.328 9.16166 12.979 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 9.97357 16.5918 8.35971 20.0044 10.054 8.77254 16.6071 7.43758 8.04248 5.74377 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 8.11968 4.53213 8.71859 11.4848 5.55137 7.21521 6.33032 numMergedOcc 0
39 mol 248 unq 1 iso 0 dist 6.44967 9.48478 7.69895 8.11968 4.53213 8.71859 15.9246 10.8081 8.2965 11.762 numMergedOcc 0
40 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 12.9422 9.22664 8.58088 13.7159 7.26417 6.60405 10.221 numMergedOcc 0
41 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 7.70189 9.22664 8.58088 14.0712 7.26417 6.60405 10.221 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.96379 10.908 8.13497 6.76656 5.71237 6.77279 14.2826 10.582 8.53687 7.55268 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 6.96379 12.7595 7.88519 6.76656 5.71237 9.58006 11.7889 4.86771 7.84554 9.10984 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 6.96379 12.7595 7.88519 6.76656 5.71237 9.58006 11.1532 6.96053 7.46176 11.8501 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 6.96379 12.7595 7.88519 6.76656 5.71237 9.58006 17.4423 10.4881 9.18903 13.9868 numMergedOcc 0
46 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 13.2763 9.63727 5.67266 14.7737 10.0156 8.76532 4.58403 numMergedOcc 0
47 mol 282 unq 1 iso 0 dist 8.58671 8.13794 8.04483 13.2763 9.63727 5.67266 11.0247 5.39891 6.33524 5.04235 numMergedOcc 0
48 mol 282 unq 2 iso 0 dist 8.58671 8.13794 8.04483 12.2558 9.60898 5.80981 14.7737 10.0156 8.76532 10.5698 numMergedOcc 0
49 mol 282 unq 3 iso 0 dist 8.58671 8.13794 8.04483 12.2558 9.60898 5.80981 11.0247 5.39891 6.33524 8.37652 numMergedOcc 0
50 mol 282 unq 4 iso 0 dist 8.58671 8.13794 8.04483 5.62497 4.85461 9.63346 14.7737 10.0156 8.76532 13.108 numMergedOcc 0
51 mol 282 unq 5 iso 0 dist 8.58671 8.13794 8.04483 5.62497 4.85461 9.63346 11.0247 5.39891 6.33524 8.85797 numMergedOcc 0
52 mol 282 unq 6 iso 0 dist 6.84554 9.67023 8.76532 7.93511 4.58403 5.67266 14.1723 10.0156 8.04483 9.63727 numMergedOcc 0
53 mol 282 unq 7 iso 0 dist 6.84554 9.67023 8.76532 7.93511 4.58403 5.67266 9.51581 4.66602 6.33524 5.04235 numMergedOcc 0
54 mol 282 unq 8 iso 0 dist 6.84554 9.67023 8.76532 13.5529 10.5698 5.80981 14.1723 10.0156 8.04483 9.60898 numMergedOcc 0
55 mol 282 unq 9 iso 0 dist 6.84554 9.67023 8.76532 13.5529 10.5698 5.80981 9.51581 4.66602 6.33524 8.37652 numMergedOcc 0
56 mol 282 unq 10 iso 0 dist 6.84554 9.67023 8.76532 15.4388 13.108 9.63346 14.1723 10.0156 8.04483 4.85461 numMergedOcc 0
57 mol 282 unq 11 iso 0 dist 6.84554 9.67023 8.76532 15.4388 13.108 9.63346 9.51581 4.66602 6.33524 8.85797 numMergedOcc 0
58 mol 282 unq 12 iso 0 dist 9.51581 9.67023 6.33524 7.93511 5.04235 5.67266 14.1723 5.39891 8.04483 9.63727 numMergedOcc 0
59 mol 282 unq 13 iso 0 dist 9.51581 9.67023 6.33524 7.93511 5.04235 5.67266 6.84554 4.66602 8.76532 4.58403 numMergedOcc 0
60 mol 282 unq 14 iso 0 dist 9.51581 9.67023 6.33524 13.5529 8.37652 5.80981 14.1723 5.39891 8.04483 9.60898 numMergedOcc 0
61 mol 282 unq 15 iso 0 dist 9.51581 9.67023 6.33524 13.5529 8.37652 5.80981 6.84554 4.66602 8.76532 10.5698 numMergedOcc 0
62 mol 282 unq 16 iso 0 dist 9.51581 9.67023 6.33524 15.4388 8.85797 9.63346 14.1723 5.39891 8.04483 4.85461 numMergedOcc 0
63 mol 282 unq 17 iso 0 dist 9.51581 9.67023 6.33524 15.4388 8.85797 9.63346 6.84554 4.66602 8.76532 13.108 numMergedOcc 0
