0 mol 1 unq 0 iso 0 dist 5.55208 8.47429 4.49401 9.40282 5.84337 6.25854 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.55208 8.47429 4.49401 9.35554 10.1549 14.6429 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.5933 8.47429 5.72763 9.40282 9.7992 6.25854 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.5933 8.47429 5.72763 9.35554 11.2541 14.6429 numMergedOcc 0
4 mol 1 unq 4 iso 0 dist 7.46191 8.47429 9.79586 9.40282 12.0014 6.25854 numMergedOcc 0
5 mol 1 unq 5 iso 0 dist 7.46191 8.47429 9.79586 9.35554 7.79638 14.6429 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 9.62742 9.42607 4.54527 6.49709 6.64342 5.8961 numMergedOcc 0
7 mol 11 unq 1 iso 0 dist 9.62742 6.20956 4.44069 6.49709 6.64342 4.73237 numMergedOcc 0
8 mol 18 unq 0 iso 0 dist 6.60128 9.4649 4.76553 8.81762 8.45128 7.29441 numMergedOcc 0
9 mol 18 unq 1 iso 0 dist 6.60128 9.4649 4.76553 5.32149 9.88653 10.4194 numMergedOcc 0
10 mol 18 unq 2 iso 0 dist 6.60128 6.45965 10.8382 8.81762 8.45128 8.32004 numMergedOcc 0
11 mol 18 unq 3 iso 0 dist 6.60128 6.45965 10.8382 5.32149 9.88653 6.47139 numMergedOcc 0
12 mol 94 unq 0 iso 0 dist 5.4622 7.81363 12.8989 8.01724 9.12104 9.47607 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 5.55005 5.93206 4.72156 9.23803 9.64513 4.93112 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 5.55005 5.93206 4.72156 8.05028 6.4683 4.48038 numMergedOcc 0
15 mol 109 unq 2 iso 0 dist 5.55005 7.73529 3.90222 9.23803 9.64513 10.5733 numMergedOcc 0
16 mol 109 unq 3 iso 0 dist 5.55005 7.73529 3.90222 8.05028 6.4683 4.76017 numMergedOcc 0
17 mol 142 unq 0 iso 0 dist 9.02319 7.99533 12.6682 9.57509 11.0897 4.00645 numMergedOcc 0
18 mol 167 unq 0 iso 0 dist 9.15244 9.08229 4.74884 7.9895 10.4764 12.473 numMergedOcc 0
19 mol 167 unq 1 iso 0 dist 9.15244 9.08229 4.74884 6.53913 7.79718 5.48405 numMergedOcc 0
20 mol 167 unq 2 iso 0 dist 9.15244 7.99057 6.44271 7.9895 10.4764 8.28846 numMergedOcc 0
21 mol 167 unq 3 iso 0 dist 9.15244 7.99057 6.44271 6.53913 7.79718 10.8859 numMergedOcc 0
22 mol 167 unq 4 iso 0 dist 8.08948 9.08229 14.6278 7.9895 5.09673 12.473 numMergedOcc 0
23 mol 167 unq 5 iso 0 dist 8.08948 9.08229 14.6278 6.53913 12.3929 5.48405 numMergedOcc 0
24 mol 167 unq 6 iso 0 dist 8.08948 7.99057 7.06542 7.9895 5.09673 8.28846 numMergedOcc 0
25 mol 167 unq 7 iso 0 dist 8.08948 7.99057 7.06542 6.53913 12.3929 10.8859 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 6.38821 8.90607 4.55153 9.90891 13.8408 14.4831 numMergedOcc 0
27 mol 206 unq 1 iso 0 dist 5.98212 8.90607 6.70754 9.90891 11.5281 14.4831 numMergedOcc 0
28 mol 206 unq 2 iso 0 dist 7.16312 8.90607 5.97851 9.90891 15.4153 14.4831 numMergedOcc 0
29 mol 209 unq 0 iso 0 dist 9.53736 6.3344 6.26842 5.92907 7.92746 4.1329 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 6.59321 4.91191 5.5881 6.48196 5.19558 6.52848 numMergedOcc 0
31 mol 233 unq 1 iso 0 dist 9.80759 4.91191 11.4518 6.48196 6.48373 6.52848 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 6.35418 6.54859 7.34037 9.07222 11.7774 4.71394 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 6.35418 6.54859 7.34037 9.09998 11.1911 6.97964 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.7833 9.45685 8.91518 9.2067 7.14483 11.716 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 9.7833 9.45685 8.91518 9.16078 5.55495 12.9218 numMergedOcc 0
36 mol 271 unq 0 iso 0 dist 6.67008 9.27556 3.76546 7.9494 5.46826 6.3252 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 6.55498 9.33149 7.62941 9.82717 5.23192 4.16039 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 7.38219 9.33149 11.4179 9.82717 9.00041 4.16039 numMergedOcc 0
