0 mol 73 unq 0 iso 0 dist 7.69222 9.85386 13.815 6.97502 6.45841 15.8501 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 7.69222 4.8983 11.9118 6.97502 6.45841 8.62079 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 5.82056 9.85386 13.7005 4.30874 5.5087 12.8223 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 5.82056 9.85386 13.7005 6.97502 5.61588 15.8501 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 5.82056 4.8983 10.0644 4.30874 5.5087 7.37171 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 5.82056 4.8983 10.0644 6.97502 5.61588 8.62079 numMergedOcc 0
6 mol 73 unq 6 iso 0 dist 9.09115 9.85386 17.9011 4.30874 6.08682 12.8223 numMergedOcc 0
7 mol 73 unq 7 iso 0 dist 9.09115 9.85386 17.9011 6.97502 7.83244 15.8501 numMergedOcc 0
8 mol 73 unq 8 iso 0 dist 9.09115 4.8983 12.1501 4.30874 6.08682 7.37171 numMergedOcc 0
9 mol 73 unq 9 iso 0 dist 9.09115 4.8983 12.1501 6.97502 7.83244 8.62079 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 6.97936 5.91098 3.35924 12.6179 8.23026 9.92555 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 5.00466 4.86523 3.35924 7.88072 8.23026 9.92555 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.23073 7.27275 8.96713 7.95165 8.27883 11.8859 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.23073 7.27275 8.96713 6.67589 7.7152 12.726 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 9.31543 4.4077 9.74071 4.80675 6.69691 7.97548 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 9.31543 8.4874 6.92699 4.80675 6.69691 9.64164 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 8.85652 4.4077 9.87781 4.80675 5.51197 7.97548 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 8.85652 8.4874 9.93375 4.80675 5.51197 9.64164 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.17216 6.68265 5.12696 6.62991 6.59889 7.55934 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.17216 6.68265 5.12696 13.4463 6.70693 11.2397 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.40483 7.78842 5.12696 7.17016 6.59889 7.55934 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 9.40483 7.78842 5.12696 11.3742 6.70693 11.2397 numMergedOcc 0
22 mol 152 unq 4 iso 0 dist 9.44172 6.68265 6.04238 6.62991 8.9192 7.55934 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 5.27578 8.99777 12.7357 7.82249 9.3498 12.2312 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 5.27578 8.99777 12.7357 9.09826 7.05695 13.211 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 8.25953 7.32974 12.7357 5.47219 9.3498 12.2312 numMergedOcc 0
26 mol 186 unq 3 iso 0 dist 8.25953 7.32974 12.7357 6.51869 7.05695 13.211 numMergedOcc 0
27 mol 186 unq 4 iso 0 dist 6.49577 6.97766 4.79079 8.24478 8.73533 12.038 numMergedOcc 0
28 mol 186 unq 5 iso 0 dist 6.49577 4.79423 3.60793 8.24478 8.73533 5.90765 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 8.94981 7.78392 16.3069 17.0867 8.1945 24.3034 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 8.94981 7.78392 16.3069 6.89798 6.50998 11.8942 numMergedOcc 0
31 mol 225 unq 2 iso 0 dist 5.90986 7.78392 12.113 6.89798 9.09424 11.8942 numMergedOcc 0
32 mol 225 unq 3 iso 0 dist 7.50697 7.78392 5.31124 6.89798 8.14831 11.8942 numMergedOcc 0
33 mol 251 unq 0 iso 0 dist 5.62261 6.06154 5.79539 6.33949 7.39775 8.45764 numMergedOcc 0
34 mol 251 unq 1 iso 0 dist 8.07576 8.15014 3.45567 9.52592 9.82601 10.1874 numMergedOcc 0
35 mol 251 unq 2 iso 0 dist 8.07576 8.15014 3.45567 7.54315 6.50357 8.45764 numMergedOcc 0
36 mol 251 unq 3 iso 0 dist 6.17824 6.06154 3.45567 5.99541 9.82601 10.1874 numMergedOcc 0
37 mol 251 unq 4 iso 0 dist 6.17824 6.06154 3.45567 6.33949 6.50357 8.45764 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 5.38409 9.87477 6.69425 4.78295 6.44147 11.7109 numMergedOcc 0
39 mol 273 unq 0 iso 0 dist 6.95569 8.13393 11.8515 11.0966 6.31969 17.7665 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.91103 4.1545 5.9732 16.3552 9.57499 12.762 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 9.91103 4.1545 5.9732 10.4297 5.46926 7.42932 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 9.91103 4.1545 5.9732 5.77904 8.9682 4.9764 numMergedOcc 0
43 mol 277 unq 3 iso 0 dist 9.91103 4.25172 8.61922 16.3552 9.57499 14.7874 numMergedOcc 0
44 mol 277 unq 4 iso 0 dist 9.91103 4.25172 8.61922 10.4297 5.46926 10.5562 numMergedOcc 0
45 mol 277 unq 5 iso 0 dist 9.91103 4.25172 8.61922 5.77904 8.9682 6.36559 numMergedOcc 0
46 mol 277 unq 6 iso 0 dist 7.0603 4.1545 3.79766 10.4297 5.13913 7.42932 numMergedOcc 0
47 mol 277 unq 7 iso 0 dist 7.0603 4.1545 3.79766 5.77904 6.92711 4.9764 numMergedOcc 0
48 mol 277 unq 8 iso 0 dist 7.0603 4.25172 7.07613 10.4297 5.13913 10.5562 numMergedOcc 0
49 mol 277 unq 9 iso 0 dist 7.0603 4.25172 7.07613 5.77904 6.92711 6.36559 numMergedOcc 0
50 mol 285 unq 0 iso 0 dist 6.24134 7.08681 4.98469 9.237 7.80862 5.03601 numMergedOcc 0
51 mol 285 unq 1 iso 0 dist 6.24134 4.95596 10.5542 9.237 7.80862 13.3277 numMergedOcc 0
52 mol 285 unq 2 iso 0 dist 6.24134 6.3508 12.5361 9.237 7.80862 13.1368 numMergedOcc 0
53 mol 285 unq 3 iso 0 dist 6.24134 8.3005 11.9464 9.237 7.80862 17.3828 numMergedOcc 0
