0 mol 10 unq 0 iso 0 dist 8.44864 5.94361 5.59965 6.50444 3.92592 6.18431 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.44864 5.94361 5.59965 12.8281 5.53712 9.07726 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.95811 4.46394 7.46578 6.50001 6.56765 6.859 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 9.78754 9.66474 7.98326 15.7037 9.74251 6.859 numMergedOcc 0
4 mol 11 unq 2 iso 0 dist 8.40993 11.501 7.46578 14.1622 6.56765 6.859 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.99751 9.62452 7.35861 13.0329 6.64374 9.96912 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.44507 14.288 6.56527 9.90986 4.76998 6.81793 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 9.30674 7.40218 7.35861 11.8673 6.64374 9.96912 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 8.25567 3.9882 7.35861 9.22183 6.64374 9.96912 numMergedOcc 0
9 mol 26 unq 4 iso 0 dist 9.32718 4.03003 6.93197 9.389 10.1622 6.07276 numMergedOcc 0
10 mol 26 unq 5 iso 0 dist 6.17217 4.29919 6.56527 10.4684 10.0347 6.7142 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 8.17655 4.32712 8.03296 8.57705 3.81317 8.02443 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 8.17655 11.1935 9.26979 8.57705 3.81317 9.09458 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 6.47416 4.32712 5.82754 8.57705 4.08868 8.02443 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 6.47416 11.1935 9.05679 8.57705 4.08868 9.09458 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 9.78129 6.04442 8.03296 11.7519 3.81317 8.02443 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 9.78129 11.2226 9.26979 11.7519 3.81317 9.09458 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 5.94696 9.51607 7.36769 5.08983 3.92737 9.25444 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 5.94696 9.51607 7.36769 9.58039 3.94967 9.84703 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 5.94696 12.5752 6.88901 5.08983 3.92737 8.46823 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 5.94696 12.5752 6.88901 9.58039 3.94967 4.62494 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 5.42828 6.62328 7.80873 10.9517 10.4943 9.26353 numMergedOcc 0
22 mol 112 unq 1 iso 0 dist 6.09626 6.43704 7.80873 9.80187 8.72143 8.72725 numMergedOcc 0
23 mol 112 unq 2 iso 0 dist 6.09626 6.43704 7.80873 4.77996 5.08111 6.11407 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.21194 4.47323 5.25109 12.2168 10.0655 9.34834 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 6.21194 4.47323 5.25109 6.76574 4.88147 5.74846 numMergedOcc 0
26 mol 184 unq 0 iso 0 dist 8.95598 12.4352 7.54099 8.27396 4.67256 7.58375 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 9.79381 9.51443 8.37739 11.0725 5.8463 9.82043 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 9.79381 9.52516 9.47237 11.0725 5.8463 8.22922 numMergedOcc 0
29 mol 225 unq 2 iso 0 dist 8.37379 11.2979 8.37739 9.49163 5.8463 9.82043 numMergedOcc 0
30 mol 225 unq 3 iso 0 dist 8.37379 11.0488 9.47237 9.49163 5.8463 8.22922 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 9.41148 6.36084 9.78181 12.6048 14.876 9.9183 numMergedOcc 0
32 mol 232 unq 1 iso 0 dist 7.83422 6.36084 9.8664 12.6048 11.2243 9.9183 numMergedOcc 0
33 mol 244 unq 0 iso 0 dist 5.79898 4.38246 6.22122 9.13494 10.3324 6.53416 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 9.11072 5.15747 6.88827 4.97796 13.3632 8.60027 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 6.83113 5.15747 9.16942 4.97796 5.39432 8.60027 numMergedOcc 0
36 mol 274 unq 2 iso 0 dist 9.44134 6.70266 7.75216 8.97249 13.9324 7.77765 numMergedOcc 0
37 mol 274 unq 3 iso 0 dist 9.44134 6.70266 7.75216 4.97796 10.7442 9.65868 numMergedOcc 0
38 mol 274 unq 4 iso 0 dist 9.02071 4.36131 6.88827 9.39896 13.3632 8.60027 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 6.68863 10.8497 8.25485 10.6299 6.56416 7.83214 numMergedOcc 0
