0 mol 10 unq 0 iso 0 dist 6.50444 8.55472 8.09253 5.94361 6.18431 6.77258 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.94703 8.95357 8.45916 4.04757 9.98592 11.9824 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.63803 13.9089 9.56639 10.5687 6.07276 5.63833 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.22183 5.14352 9.60699 3.9882 9.96912 6.47748 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 6.56549 10.4277 9.53382 4.26037 5.9635 7.07579 numMergedOcc 0
5 mol 46 unq 0 iso 0 dist 7.57749 7.35107 6.03151 6.70122 5.43693 6.5207 numMergedOcc 0
6 mol 46 unq 1 iso 0 dist 8.55202 8.85515 6.03151 10.7567 5.43693 6.5207 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.63973 15.1383 9.78762 13.5835 8.77077 6.39948 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.33961 8.19607 6.74197 11.2155 9.25444 8.83348 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.33961 8.19607 6.74197 9.96465 8.46823 14.016 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 9.29816 13.8287 6.74197 18.3829 9.25444 8.83348 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 9.29816 13.8287 6.74197 13.7832 8.46823 14.016 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 5.08983 4.67787 6.74197 9.51607 9.25444 8.83348 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 5.08983 4.67787 6.74197 12.5752 8.46823 14.016 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 4.77996 4.59061 7.77418 6.43704 6.11407 5.54999 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 6.53559 8.56696 8.46972 4.92611 6.34626 5.85167 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.09774 9.22336 8.46972 6.15789 6.34626 5.85167 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 7.25009 11.1511 8.14405 8.61147 9.16358 5.52764 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 7.25009 11.1511 8.14405 5.45915 9.24038 11.0203 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 7.30338 5.97401 5.21801 4.10406 9.42807 7.27945 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.51523 12.1824 8.09699 4.98945 7.47964 9.21862 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 6.76574 5.67061 9.38425 4.47323 5.74846 8.3856 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 8.27396 11.2463 9.07247 12.4352 7.58375 4.84884 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 9.18289 13.4102 8.41456 6.33168 6.56416 12.1711 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 7.85801 13.518 8.28942 9.87367 8.15661 5.35985 numMergedOcc 0
25 mol 212 unq 0 iso 0 dist 5.03184 9.60101 8.43638 6.48939 9.10288 15.9513 numMergedOcc 0
26 mol 212 unq 1 iso 0 dist 5.03184 9.60101 8.43638 5.81626 6.19798 13.0497 numMergedOcc 0
27 mol 212 unq 2 iso 0 dist 5.03184 9.60101 8.43638 6.89781 7.24895 11.2196 numMergedOcc 0
28 mol 212 unq 3 iso 0 dist 5.03184 9.48834 7.06117 6.48939 9.10288 11.9681 numMergedOcc 0
29 mol 212 unq 4 iso 0 dist 5.03184 9.48834 7.06117 5.81626 6.19798 5.90313 numMergedOcc 0
30 mol 212 unq 5 iso 0 dist 5.03184 9.48834 7.06117 6.89781 7.24895 4.57258 numMergedOcc 0
31 mol 224 unq 0 iso 0 dist 6.32334 4.61429 5.31916 4.12728 9.25617 7.45491 numMergedOcc 0
32 mol 224 unq 1 iso 0 dist 6.32334 4.61429 5.31916 7.13796 9.05276 5.77278 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 7.15079 12.746 9.40401 9.95931 7.77765 7.42475 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 7.15079 10.9845 5.64169 9.95931 7.77765 4.48276 numMergedOcc 0
