0 mol 5 unq 0 iso 0 dist 4.9568 4.42081 7.56229 3.67097 5.69239 3.14155 8.70824 10.7591 8.97274 6.86923 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 4.9568 4.42081 7.56229 3.67097 5.69239 3.14155 10.3139 10.9809 12.6411 9.95226 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 4.9568 4.42081 7.56229 3.67097 5.69239 3.14155 5.93404 3.91535 7.5815 4.60775 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 4.9568 4.42081 7.56229 3.67097 5.69239 3.14155 6.70655 6.94674 10.8072 8.64744 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.07476 5.23547 9.89425 9.46202 6.83186 12.0683 12.8782 7.16699 15.6489 5.40468 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 8.76224 7.77448 9.2146 11.7233 8.53424 16.4255 10.1412 9.64948 15.209 5.42412 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 8.76224 7.77448 9.2146 13.0183 7.08766 16.0765 10.1412 9.64948 15.209 8.09862 numMergedOcc 0
7 mol 28 unq 2 iso 0 dist 8.76224 7.77448 9.2146 13.0183 7.08766 16.0765 18.6656 10.1805 18.206 8.97167 numMergedOcc 0
8 mol 28 unq 3 iso 0 dist 8.76224 7.77448 9.2146 10.9699 4.82199 13.6412 10.1412 9.64948 15.209 8.89114 numMergedOcc 0
9 mol 28 unq 4 iso 0 dist 8.76224 7.77448 9.2146 10.9699 4.82199 13.6412 18.6656 10.1805 18.206 8.8182 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.54314 7.78684 8.78414 7.57764 9.13228 10.1907 12.1216 12.6017 10.9406 6.42443 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 6.46582 11.3491 9.57759 9.68005 7.66068 9.50354 7.41861 8.58474 16.1719 9.50939 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.73466 3.44873 9.38837 5.83035 8.61143 4.315 10.8417 7.86077 11.2839 7.50229 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 6.73466 10.3854 9.80913 5.83035 8.61143 9.00868 10.8417 7.86077 10.4541 7.50229 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 9.94528 6.51558 5.35861 5.31562 7.50925 3.62753 6.77845 4.48523 5.25361 5.13041 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 8.94777 9.07479 5.35861 8.56578 7.50925 3.62753 5.48555 4.48523 5.25361 5.13041 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 9.47551 5.46512 5.35861 7.14423 7.50925 3.62753 10.4604 4.48523 5.25361 5.13041 numMergedOcc 0
17 mol 101 unq 0 iso 0 dist 6.67863 13.2642 9.33112 9.54415 8.19144 7.5541 9.83562 6.43467 12.3632 8.2549 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 3.56227 5.86767 6.06538 5.60956 3.60864 8.18217 5.64732 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 6.48066 9.43003 7.0961 3.96437 5.28353 10.919 5.60956 3.60864 8.18217 5.52214 numMergedOcc 0
20 mol 168 unq 2 iso 0 dist 6.48066 8.01699 8.21227 3.56227 5.86767 9.99868 5.60956 3.60864 5.51167 5.64732 numMergedOcc 0
21 mol 168 unq 3 iso 0 dist 6.48066 8.01699 8.21227 3.96437 5.28353 6.91388 5.60956 3.60864 5.51167 5.52214 numMergedOcc 0
22 mol 168 unq 4 iso 0 dist 6.48066 9.98239 6.53038 3.56227 5.86767 10.7133 5.60956 3.60864 9.35431 5.64732 numMergedOcc 0
23 mol 168 unq 5 iso 0 dist 6.48066 9.98239 6.53038 3.96437 5.28353 6.65321 5.60956 3.60864 9.35431 5.52214 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 7.50458 6.22697 7.65903 4.24401 5.10589 3.18152 6.09291 10.1931 7.06772 6.27378 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 5.79554 6.22697 5.97653 4.24401 4.63336 3.18152 6.09291 10.5136 7.06772 6.27378 numMergedOcc 0
26 mol 169 unq 2 iso 0 dist 4.22003 6.22697 7.75523 4.24401 6.10715 3.18152 6.09291 10.212 7.06772 6.27378 numMergedOcc 0
27 mol 254 unq 0 iso 0 dist 7.89302 5.06168 5.6417 8.51317 9.20109 10.929 14.0267 9.72134 14.0896 7.40957 numMergedOcc 0
28 mol 254 unq 1 iso 0 dist 7.89302 6.25965 7.42831 8.51317 9.20109 10.706 14.0267 9.72134 13.9988 7.40957 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.35293 10.858 8.20376 7.2339 6.96692 3.68488 13.6478 4.39553 9.51145 9.90506 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 9.35293 10.858 8.20376 7.2339 6.96692 3.68488 11.173 3.94797 10.1964 9.03341 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 9.35293 10.858 8.20376 12.15 8.25286 3.14784 14.8446 7.63149 8.9221 6.39822 numMergedOcc 0
32 mol 266 unq 3 iso 0 dist 9.35293 10.858 8.20376 12.15 8.25286 3.14784 13.6478 4.39553 9.51145 8.61077 numMergedOcc 0
33 mol 266 unq 4 iso 0 dist 9.35293 10.858 8.20376 14.8334 9.9965 5.95721 14.8446 7.63149 8.9221 5.36518 numMergedOcc 0
34 mol 266 unq 5 iso 0 dist 9.35293 10.858 8.20376 14.8334 9.9965 5.95721 13.6478 4.39553 9.51145 9.11585 numMergedOcc 0
35 mol 266 unq 6 iso 0 dist 7.93375 7.54309 8.20376 3.87565 6.96692 3.68488 11.907 4.39553 9.51145 9.90506 numMergedOcc 0
36 mol 266 unq 7 iso 0 dist 7.93375 7.54309 8.20376 3.87565 6.96692 3.68488 9.80006 3.94797 10.1964 9.03341 numMergedOcc 0
37 mol 266 unq 8 iso 0 dist 7.93375 7.54309 8.20376 9.25882 8.25286 3.14784 12.9059 7.63149 8.9221 6.39822 numMergedOcc 0
38 mol 266 unq 9 iso 0 dist 7.93375 7.54309 8.20376 9.25882 8.25286 3.14784 11.907 4.39553 9.51145 8.61077 numMergedOcc 0
39 mol 266 unq 10 iso 0 dist 7.93375 7.54309 8.20376 12.1357 9.9965 5.95721 12.9059 7.63149 8.9221 5.36518 numMergedOcc 0
40 mol 266 unq 11 iso 0 dist 7.93375 7.54309 8.20376 12.1357 9.9965 5.95721 11.907 4.39553 9.51145 9.11585 numMergedOcc 0
