0 mol 7 unq 0 iso 0 dist 8.8576 4.44694 5.51421 6.68629 7.78327 3.52338 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.34549 11.0672 9.7522 8.82979 7.98005 3.30063 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 7.34549 11.0672 9.7522 3.63999 8.31381 8.44515 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.09068 15.3987 9.7522 12.3884 7.98005 3.30063 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 8.09068 15.3987 9.7522 11.7163 8.31381 8.44515 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.72289 18.4863 9.7522 15.7944 7.98005 3.30063 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 9.72289 18.4863 9.7522 13.5789 8.31381 8.44515 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 14.2755 9.02471 4.15592 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 9.45835 11.1106 9.23023 13.4907 7.91148 15.9532 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 9.45835 11.1106 9.23023 10.4533 6.59794 14.6188 numMergedOcc 0
10 mol 78 unq 2 iso 0 dist 9.45835 11.1106 9.23023 16.0314 8.34957 15.1992 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 4.31067 9.91645 5.9747 11.3701 7.92856 4.48773 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 4.31067 7.54723 4.50572 11.3701 7.92856 3.8493 numMergedOcc 0
13 mol 110 unq 0 iso 0 dist 8.1306 6.9318 9.73174 9.44658 9.10911 6.88119 numMergedOcc 0
14 mol 110 unq 1 iso 0 dist 8.1306 4.29339 9.65418 9.44658 9.10911 9.95216 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 8.29529 6.68968 8.89481 3.7042 7.02367 5.96967 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 8.29529 6.68968 8.89481 12.8999 9.30832 7.52951 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.20009 11.9512 7.04864 8.24077 6.42623 4.74539 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.20009 11.9512 7.04864 3.79384 8.95899 11.4443 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 8.14799 10.1556 7.04864 5.56137 6.42623 4.74539 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 8.14799 10.1556 7.04864 6.80121 8.95899 11.4443 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 8.054 4.79314 6.78949 10.2953 4.42563 6.80573 numMergedOcc 0
22 mol 122 unq 1 iso 0 dist 8.054 5.45124 9.40018 10.2953 4.42563 12.9961 numMergedOcc 0
23 mol 123 unq 0 iso 0 dist 9.99727 11.1664 8.67193 3.61945 8.111 12.0363 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 5.0146 9.00072 12.8334 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 9.21386 3.93619 8.14096 7.52035 9.86868 3.86842 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 9.21386 3.93619 8.14096 5.95451 6.83528 7.27404 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 9.21386 9.74898 8.43038 7.52035 9.86868 13.2021 numMergedOcc 0
28 mol 167 unq 3 iso 0 dist 9.21386 9.74898 8.43038 5.95451 6.83528 3.92405 numMergedOcc 0
29 mol 167 unq 4 iso 0 dist 9.21386 10.8657 9.87966 7.52035 9.86868 15.8191 numMergedOcc 0
30 mol 167 unq 5 iso 0 dist 9.21386 10.8657 9.87966 5.95451 6.83528 6.18329 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.71735 4.20223 7.80299 6.89357 9.65093 5.18174 numMergedOcc 0
32 mol 196 unq 0 iso 0 dist 7.84536 7.42251 6.25429 5.97525 4.67869 7.96489 numMergedOcc 0
33 mol 196 unq 1 iso 0 dist 7.07723 10.0417 6.25429 4.22321 4.67869 7.96489 numMergedOcc 0
34 mol 196 unq 2 iso 0 dist 6.40064 8.51719 6.25429 3.9465 4.67869 7.96489 numMergedOcc 0
35 mol 206 unq 0 iso 0 dist 7.94694 16.3384 9.36079 5.69659 4.51255 12.9317 numMergedOcc 0
36 mol 206 unq 1 iso 0 dist 7.94694 13.2408 7.42904 5.69659 4.51255 10.8126 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 9.85348 12.2182 7.73315 9.51802 7.84952 14.9642 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 8.84872 7.44501 9.11256 3.90737 8.08965 3.76405 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 8.84872 10.7196 7.08539 3.90737 8.08965 12.0808 numMergedOcc 0
40 mol 257 unq 0 iso 0 dist 8.95261 15.2818 7.82899 7.65595 9.6834 11.7751 numMergedOcc 0
41 mol 257 unq 1 iso 0 dist 7.80336 12.1004 7.82899 3.41163 9.6834 11.7751 numMergedOcc 0
42 mol 265 unq 0 iso 0 dist 7.83102 9.76011 7.04833 13.3937 9.28128 5.76716 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 13.4595 4.9764 7.31817 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 9.64889 14.9226 9.29635 13.6295 6.36559 3.91224 numMergedOcc 0
