0 mol 1 unq 0 iso 0 dist 5.32412 8.99695 9.78282 10.242 13.6058 9.12196 11.3343 10.7006 7.4817 9.00903 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.98958 7.2612 14.1383 5.2549 9.15677 8.44506 11.9393 16.4682 13.2876 8.34347 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.87251 9.17687 7.56926 14.4151 14.9909 9.93832 14.9853 12.092 9.06158 8.80331 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 5.87251 9.17687 7.56926 10.3283 9.16827 8.60739 10.9711 7.23774 5.64171 5.73819 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 5.87251 9.17687 7.56926 10.3283 9.16827 8.60739 14.9853 12.092 9.06158 6.20293 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 5.87251 9.17687 7.56926 10.3283 9.16827 8.60739 15.5275 10.7423 11.3891 8.93915 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.28709 4.67358 7.98177 5.33532 9.74268 6.54023 6.77833 6.95018 9.03317 9.65964 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.17599 5.8367 11.473 13.0109 14.0084 8.20836 9.87619 5.6868 9.4027 8.94367 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.17599 5.8367 11.473 13.0109 14.0084 8.20836 5.79157 7.18189 5.12325 9.86662 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 8.78704 5.8367 9.96852 13.0109 15.2052 8.20836 9.87619 11.3634 9.4027 8.94367 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 8.78704 5.8367 9.96852 13.0109 15.2052 8.20836 5.79157 5.87684 5.12325 9.86662 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 6.43097 8.14959 9.69805 11.4039 16.0736 8.47347 12.4479 12.8895 4.46081 9.96154 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.6897 9.88251 15.0925 14.4147 21.2951 8.44861 13.4053 17.8235 5.28092 6.03031 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 9.6897 9.88251 15.0925 13.9684 20.4933 5.60393 13.4053 17.8235 5.28092 7.26832 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 7.89041 9.33359 6.35143 12.8358 12.4926 8.50331 16.0063 10.5896 7.22918 9.81562 numMergedOcc 0
15 mol 236 unq 1 iso 0 dist 7.89041 9.33359 6.35143 12.8358 12.4926 8.50331 17.4517 14.3923 9.05842 7.68742 numMergedOcc 0
16 mol 236 unq 2 iso 0 dist 7.89041 9.33359 6.35143 12.8358 12.4926 8.50331 8.95071 7.41111 7.00028 6.27581 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 8.2748 9.08064 10.7978 7.63032 12.8567 6.17052 7.40475 6.21372 5.99459 7.69895 numMergedOcc 0
18 mol 248 unq 1 iso 0 dist 8.2748 9.08064 10.7978 6.42334 10.9878 9.77666 7.40475 6.21372 5.99459 7.21521 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 8.7248 9.44744 5.01742 11.8815 10.9943 6.11473 12.6046 11.989 9.32326 8.1148 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 8.7248 9.44744 5.01742 11.8815 10.9943 6.11473 14.2581 8.27267 5.72783 8.1715 numMergedOcc 0
21 mol 252 unq 2 iso 0 dist 8.7248 6.94319 9.65981 11.8815 10.9943 8.47784 12.6046 11.989 5.89666 8.1148 numMergedOcc 0
22 mol 252 unq 3 iso 0 dist 8.7248 6.94319 9.65981 11.8815 10.9943 8.47784 14.2581 8.27267 10.672 8.1715 numMergedOcc 0
23 mol 272 unq 0 iso 0 dist 8.99817 9.00781 9.81565 9.92738 10.7182 9.05222 12.454 15.0736 6.59863 8.48753 numMergedOcc 0
