0 mol 54 unq 0 iso 0 dist 5.44539 6.33921 5.38191 15.1864 14.0601 9.20429 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 7.58788 11.7622 9.70148 12.4931 5.55161 8.94235 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.30431 6.32949 9.62468 14.1039 12.9303 8.44473 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 4.628 6.32949 5.92705 14.1039 13.2942 8.44473 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.8986 9.48441 6.6003 8.52643 7.05519 9.64871 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 7.8986 4.76091 6.44118 8.52643 7.05519 9.95118 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 7.24183 6.41829 6.6003 5.41357 7.05519 9.64871 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 7.24183 6.13923 6.44118 5.41357 7.05519 9.95118 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 5.39171 10.5627 6.89722 13.1329 7.92924 7.23812 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.27355 10.5627 7.26679 13.1329 5.4653 7.23812 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.60363 16.3515 9.02288 13.1329 7.09483 5.36012 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.60363 16.3515 9.02288 12.702 4.68175 6.3777 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 9.27331 12.3394 9.02288 11.8571 7.09483 5.36012 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 9.27331 12.3394 9.02288 7.45777 4.68175 6.3777 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 5.92936 7.52996 9.28253 7.48556 4.97519 6.4104 numMergedOcc 0
15 mol 73 unq 7 iso 0 dist 8.4438 15.6609 9.28253 12.8483 4.97519 6.4104 numMergedOcc 0
16 mol 114 unq 0 iso 0 dist 5.31281 7.65733 7.25166 9.45174 5.53478 8.14429 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 7.07421 4.80675 6.29026 7.6453 5.06265 8.00624 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 8.14441 13.6129 8.0974 17.5409 11.7183 9.63185 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.47689 4.681 6.43406 13.6801 10.3906 9.4775 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 6.47689 4.681 6.43406 8.92801 7.11585 4.71906 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 9.89311 14.1114 7.07183 13.3095 5.16703 9.74671 numMergedOcc 0
22 mol 210 unq 0 iso 0 dist 6.24111 13.3929 9.67457 10.7017 5.02037 6.13878 numMergedOcc 0
23 mol 210 unq 1 iso 0 dist 9.00343 12.3088 9.67457 11.9511 5.02037 6.13878 numMergedOcc 0
24 mol 210 unq 2 iso 0 dist 6.41444 13.3774 9.67457 10.3236 5.02037 6.13878 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.81136 17.404 8.49704 24.0171 17.1631 9.92165 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 9.17355 8.70715 8.48112 17.4946 14.1321 9.9693 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 8.5434 8.22716 8.48112 11.4104 14.1321 9.9693 numMergedOcc 0
28 mol 220 unq 2 iso 0 dist 7.57712 6.19375 7.31105 5.25149 10.1832 5.39218 numMergedOcc 0
29 mol 224 unq 0 iso 0 dist 7.62593 12.5358 7.39839 12.1554 5.8656 8.80858 numMergedOcc 0
30 mol 224 unq 1 iso 0 dist 7.58998 6.87755 6.23882 6.23677 6.88745 7.49783 numMergedOcc 0
31 mol 226 unq 0 iso 0 dist 7.20862 10.5706 9.5723 16.5565 12.3913 9.14028 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 9.13126 5.52669 9.10613 4.71683 8.3795 9.44496 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 6.18866 12.5843 7.29898 16.2589 10.254 6.26142 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 9.3807 12.5843 8.91685 16.2589 8.81984 6.26142 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.57305 6.51074 5.81927 6.33567 5.00751 7.69358 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 8.57305 5.57797 6.09782 6.33567 5.00751 7.57187 numMergedOcc 0
37 mol 258 unq 2 iso 0 dist 7.70189 9.78068 8.58088 8.10903 5.27718 9.04358 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 9.56472 15.3912 9.72927 12.3511 3.89234 6.45326 numMergedOcc 0
39 mol 265 unq 1 iso 0 dist 9.50814 6.35501 9.72927 7.52632 3.89234 6.45326 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 6.12202 7.23876 9.02749 9.34051 10.3702 8.88221 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 6.12202 7.23876 9.02749 15.5776 14.5909 9.65027 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 8.81903 5.28949 6.60309 8.04712 4.81768 6.03235 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 6.23539 7.44724 6.90434 6.66936 5.95045 4.81916 numMergedOcc 0
44 mol 280 unq 0 iso 0 dist 7.3304 7.26698 8.85762 14.1864 11.4101 7.96485 numMergedOcc 0
45 mol 282 unq 0 iso 0 dist 7.93511 9.67023 5.67266 15.7481 8.78407 7.71088 numMergedOcc 0
46 mol 282 unq 1 iso 0 dist 5.62497 8.13794 9.63346 11.0423 9.73996 7.71088 numMergedOcc 0
