0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 5.94361 5.59965 6.18431 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 7.95811 6.50001 6.56765 4.46394 7.46578 6.859 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.99751 9.90986 5.29055 14.288 10.157 6.81793 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.44507 9.90986 4.76998 14.288 6.56527 6.81793 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.25567 9.22183 6.64374 3.9882 7.35861 9.96912 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 10.7567 9.46945 5.43693 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 5.84625 8.85156 10.5604 4.37642 10.2007 9.53438 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.57443 9.42184 12.669 15.0409 17.5606 8.4701 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.17655 8.57705 3.81317 4.32712 8.03296 8.02443 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 8.17655 8.57705 3.81317 11.1935 9.26979 9.09458 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 6.47416 8.57705 4.08868 4.32712 5.82754 8.02443 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 6.47416 8.57705 4.08868 11.1935 9.05679 9.09458 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 8.0255 8.57705 5.64395 4.32712 10.0459 8.02443 numMergedOcc 0
13 mol 79 unq 5 iso 0 dist 8.0255 8.57705 5.64395 11.1935 13.9817 9.09458 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.25249 8.3505 17.4008 11.9783 20.0794 9.84703 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 9.25249 8.3505 17.4008 7.43001 16.102 4.62494 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 5.94696 5.08983 3.92737 9.51607 7.36769 9.25444 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 5.94696 5.08983 3.92737 12.5752 6.88901 8.46823 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 6.43704 7.80873 6.11407 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 9.34823 9.10803 14.1584 6.49348 13.0074 6.18678 numMergedOcc 0
20 mol 128 unq 0 iso 0 dist 8.87314 7.95999 10.4634 7.03613 14.9522 7.8929 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.6793 5.56446 9.84473 12.541 16.4417 7.58337 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 9.14629 6.48993 5.95858 4.43501 12.5323 8.86449 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 8.90876 9.23064 12.6805 4.10406 10.0169 9.85438 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 8.90876 7.30338 4.02702 4.10406 10.0169 9.42807 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 6.80086 6.51523 5.3374 4.98945 10.3989 7.47964 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 6.21194 6.76574 4.88147 4.47323 5.25109 5.74846 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 12.4352 7.54099 7.58375 numMergedOcc 0
28 mol 193 unq 0 iso 0 dist 9.37035 7.85801 8.86693 9.87367 14.406 8.15661 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.37379 9.49163 5.8463 11.2979 8.37739 9.82043 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 8.37379 9.49163 5.8463 11.0488 9.47237 8.22922 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 9.11072 4.97796 13.3632 6.70266 10.6742 9.65868 numMergedOcc 0
32 mol 274 unq 1 iso 0 dist 9.11072 4.97796 13.3632 5.15747 6.88827 8.60027 numMergedOcc 0
33 mol 274 unq 2 iso 0 dist 6.83113 4.97796 5.39432 6.70266 10.083 9.65868 numMergedOcc 0
34 mol 274 unq 3 iso 0 dist 6.83113 4.97796 5.39432 5.15747 9.16942 8.60027 numMergedOcc 0
35 mol 274 unq 4 iso 0 dist 9.44134 4.97796 10.7442 6.70266 7.75216 9.65868 numMergedOcc 0
36 mol 274 unq 5 iso 0 dist 9.44134 4.97796 10.7442 5.15747 12.0228 8.60027 numMergedOcc 0
37 mol 274 unq 6 iso 0 dist 9.02071 7.15079 9.78219 9.95931 10.6742 7.77765 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 6.68863 5.72473 6.32259 6.08322 12.3229 8.62162 numMergedOcc 0
