0 mol 14 unq 0 iso 0 dist 8.51178 6.96046 8.79533 8.66151 8.23238 6.28466 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.79426 9.27965 9.55978 10.2789 8.92491 5.33236 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 8.23606 6.11297 9.53901 7.00034 7.49423 4.14243 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.30367 6.97484 8.96223 13.0917 9.07741 7.15195 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 9.30367 6.97484 8.96223 8.70959 8.0388 4.09906 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 9.30367 6.97484 8.96223 16.3846 9.7883 11.4933 numMergedOcc 0
6 mol 55 unq 3 iso 0 dist 6.67079 11.993 8.96223 8.02914 9.07741 7.15195 numMergedOcc 0
7 mol 55 unq 4 iso 0 dist 6.67079 11.993 8.96223 10.9066 8.0388 4.09906 numMergedOcc 0
8 mol 55 unq 5 iso 0 dist 6.67079 11.993 8.96223 6.53022 9.7883 11.4933 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 6.6146 6.3566 8.6308 4.77556 5.28331 4.28396 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 7.53834 10.7416 7.21636 11.2878 8.78397 4.52353 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 8.64349 5.89709 6.31455 7.53631 9.93641 3.67488 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 5.97008 8.90271 7.13369 8.29493 9.26806 5.28383 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 6.21267 13.2623 9.81282 10.0862 8.58178 13.7825 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 6.21267 13.2623 9.81282 8.68367 4.77438 9.83347 numMergedOcc 0
15 mol 183 unq 2 iso 0 dist 6.21267 13.2623 9.81282 8.36315 5.73344 5.14341 numMergedOcc 0
16 mol 183 unq 3 iso 0 dist 7.41743 7.22697 9.81282 10.0647 8.58178 13.7825 numMergedOcc 0
17 mol 183 unq 4 iso 0 dist 7.41743 7.22697 9.81282 7.5521 4.77438 9.83347 numMergedOcc 0
18 mol 183 unq 5 iso 0 dist 7.41743 7.22697 9.81282 3.17225 5.73344 5.14341 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.45847 12.9481 5.13722 4.75805 8.98606 10.5517 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 9.89311 13.8587 8.21112 12.3846 9.88692 6.20494 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 9.89311 13.8587 8.21112 6.06509 9.38368 13.2338 numMergedOcc 0
22 mol 205 unq 2 iso 0 dist 9.89311 9.6353 7.06533 12.3846 9.88692 5.10421 numMergedOcc 0
23 mol 205 unq 3 iso 0 dist 9.89311 9.6353 7.06533 6.06509 9.38368 9.56612 numMergedOcc 0
24 mol 205 unq 4 iso 0 dist 9.89311 11.7852 5.94835 12.3846 9.88692 14.6973 numMergedOcc 0
25 mol 205 unq 5 iso 0 dist 9.89311 11.7852 5.94835 6.06509 9.38368 13.8741 numMergedOcc 0
26 mol 205 unq 6 iso 0 dist 7.71155 11.7852 6.76947 6.06509 9.29298 13.8741 numMergedOcc 0
27 mol 206 unq 0 iso 0 dist 8.93927 15.2726 7.4732 12.0094 9.00382 9.89742 numMergedOcc 0
28 mol 211 unq 0 iso 0 dist 9.8921 16.4954 9.45365 14.4494 8.13147 11.3775 numMergedOcc 0
29 mol 211 unq 1 iso 0 dist 9.8921 15.2751 7.15386 14.4494 8.13147 6.72244 numMergedOcc 0
30 mol 211 unq 2 iso 0 dist 9.8921 17.5039 7.73993 14.4494 8.13147 8.28079 numMergedOcc 0
31 mol 249 unq 0 iso 0 dist 6.18866 6.59067 5.66519 10.441 9.38713 11.9148 numMergedOcc 0
32 mol 249 unq 1 iso 0 dist 7.58833 6.13333 6.04688 8.32339 7.80866 5.63037 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 8.91916 15.0643 9.2772 15.0418 8.75224 5.5217 numMergedOcc 0
34 mol 260 unq 0 iso 0 dist 9.18439 7.91317 9.05149 4.20935 8.69923 4.52227 numMergedOcc 0
35 mol 260 unq 1 iso 0 dist 9.18439 7.86533 8.3298 4.20935 8.69923 9.8997 numMergedOcc 0
36 mol 268 unq 0 iso 0 dist 6.74419 9.53935 8.84415 9.62272 8.69312 12.9794 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 6.23539 13.1 9.42812 13.6904 9.48076 3.60894 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 7.3304 10.5216 9.9227 5.97356 8.87017 9.17893 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 8.08495 5.8542 8.33415 4.39911 7.9002 3.46565 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 8.70702 8.66375 8.78148 5.42273 8.26827 3.46565 numMergedOcc 0
41 mol 285 unq 2 iso 0 dist 9.3482 8.66375 8.33415 5.42273 7.9002 3.46565 numMergedOcc 0
