0 mol 46 unq 0 iso 0 dist 7.57749 7.35107 6.03151 14.3993 9.9787 7.18614 6.70122 5.43693 6.5207 11.1395 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 8.55202 8.85515 6.03151 4.53545 9.9787 7.18614 10.7567 5.43693 6.5207 11.1395 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.63973 15.1383 9.78762 9.42791 8.23026 10.2292 13.5835 8.77077 6.39948 6.5901 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.33961 8.19607 6.74197 11.1668 9.64383 12.31 9.96465 8.46823 14.016 16.4267 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.33961 8.19607 6.74197 11.1668 9.64383 12.31 11.2155 9.25444 8.83348 18.5442 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 5.33961 8.19607 6.74197 12.7318 7.54889 11.0642 9.96465 8.46823 14.016 9.67482 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.33961 8.19607 6.74197 12.7318 7.54889 11.0642 11.2155 9.25444 8.83348 9.85543 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 5.33961 8.19607 6.74197 12.3835 7.78931 7.71768 9.96465 8.46823 14.016 12.0974 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 5.33961 8.19607 6.74197 12.3835 7.78931 7.71768 11.2155 9.25444 8.83348 7.28361 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 9.29816 13.8287 6.74197 5.70962 9.64383 12.31 13.7832 8.46823 14.016 16.4267 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 9.29816 13.8287 6.74197 5.70962 9.64383 12.31 18.3829 9.25444 8.83348 18.5442 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 9.29816 13.8287 6.74197 14.676 7.54889 11.0642 13.7832 8.46823 14.016 9.67482 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 9.29816 13.8287 6.74197 14.676 7.54889 11.0642 18.3829 9.25444 8.83348 9.85543 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 9.29816 13.8287 6.74197 16.3389 7.78931 7.71768 13.7832 8.46823 14.016 12.0974 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 9.29816 13.8287 6.74197 16.3389 7.78931 7.71768 18.3829 9.25444 8.83348 7.28361 numMergedOcc 0
15 mol 98 unq 12 iso 0 dist 5.08983 4.67787 6.74197 10.1978 9.64383 12.31 12.5752 8.46823 14.016 16.4267 numMergedOcc 0
16 mol 98 unq 13 iso 0 dist 5.08983 4.67787 6.74197 10.1978 9.64383 12.31 9.51607 9.25444 8.83348 18.5442 numMergedOcc 0
17 mol 98 unq 14 iso 0 dist 5.08983 4.67787 6.74197 7.1452 7.54889 11.0642 12.5752 8.46823 14.016 9.67482 numMergedOcc 0
18 mol 98 unq 15 iso 0 dist 5.08983 4.67787 6.74197 7.1452 7.54889 11.0642 9.51607 9.25444 8.83348 9.85543 numMergedOcc 0
19 mol 98 unq 16 iso 0 dist 5.08983 4.67787 6.74197 4.96747 7.78931 7.71768 12.5752 8.46823 14.016 12.0974 numMergedOcc 0
20 mol 98 unq 17 iso 0 dist 5.08983 4.67787 6.74197 4.96747 7.78931 7.71768 9.51607 9.25444 8.83348 7.28361 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 4.77996 4.59061 7.77418 4.34071 5.56994 6.95852 6.43704 6.11407 5.54999 5.76986 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 6.53559 8.56696 8.46972 6.43966 5.51197 10.1294 4.92611 6.34626 5.85167 4.92472 numMergedOcc 0
23 mol 129 unq 1 iso 0 dist 8.09774 9.22336 8.46972 5.56946 5.51197 10.1294 6.15789 6.34626 5.85167 4.92472 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 7.25009 11.1511 8.14405 10.4606 8.97626 7.92939 8.61147 9.16358 5.52764 5.50031 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 7.25009 11.1511 8.14405 10.4606 8.97626 7.92939 5.45915 9.24038 11.0203 6.89781 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 7.30338 5.97401 5.21801 12.1014 6.02086 7.26802 4.10406 9.42807 7.27945 12.9045 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 8.27396 11.2463 9.07247 4.41193 5.96423 7.25468 12.4352 7.58375 4.84884 8.08596 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 6.32334 4.61429 5.31916 6.31508 6.99769 8.98459 4.12728 9.25617 7.45491 5.91654 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 6.32334 4.61429 5.31916 6.31508 6.99769 8.98459 7.13796 9.05276 5.77278 9.14278 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 6.32334 4.61429 5.31916 5.72088 8.79428 9.81806 4.12728 9.25617 7.45491 7.38836 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 6.32334 4.61429 5.31916 5.72088 8.79428 9.81806 7.13796 9.05276 5.77278 12.4832 numMergedOcc 0
32 mol 224 unq 4 iso 0 dist 6.32334 4.61429 5.31916 6.51315 6.8692 5.99647 4.12728 9.25617 7.45491 10.6079 numMergedOcc 0
33 mol 224 unq 5 iso 0 dist 6.32334 4.61429 5.31916 6.51315 6.8692 5.99647 7.13796 9.05276 5.77278 11.5752 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 7.15079 12.746 9.40401 4.37547 9.30212 11.1036 9.95931 7.77765 7.42475 9.5468 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 7.15079 10.9845 5.64169 4.37547 9.30212 11.5127 9.95931 7.77765 4.48276 9.5468 numMergedOcc 0
