0 mol 43 unq 0 iso 0 dist 8.84944 14.9082 8.03754 16.6791 8.75469 9.74445 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.21995 4.80528 8.03754 10.0917 8.75469 9.74445 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.8795 10.0338 8.44473 15.7081 12.9303 9.62468 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.8795 10.0338 8.44473 15.5937 13.2942 5.92705 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.52643 9.48441 9.64871 7.8986 7.05519 6.6003 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 8.52643 4.76091 9.95118 7.8986 7.05519 6.44118 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 5.41357 6.41829 9.64871 7.24183 7.05519 6.6003 numMergedOcc 0
7 mol 64 unq 3 iso 0 dist 5.41357 6.13923 9.95118 7.24183 7.05519 6.44118 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.45777 12.3394 6.3777 9.27331 4.68175 9.02288 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.45777 12.3394 6.3777 13.8777 10.0459 9.58544 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.48556 7.52996 6.4104 5.92936 4.97519 9.28253 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.6453 4.80675 8.00624 7.07421 5.06265 6.29026 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 8.94921 15.8205 9.11235 17.7981 10.5863 9.93572 numMergedOcc 0
13 mol 140 unq 1 iso 0 dist 7.77669 11.9489 9.11235 17.3778 10.5863 9.93572 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.32865 12.348 9.88662 13.0859 9.20914 9.18866 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 9.65031 14.069 8.41774 16.2429 7.53439 9.10619 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 8.51844 4.46956 8.41774 10.4601 7.53439 9.10619 numMergedOcc 0
17 mol 176 unq 0 iso 0 dist 7.98755 11.6341 8.02366 17.0688 13.0853 9.03194 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.92801 4.681 4.71906 6.47689 7.11585 6.43406 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.57174 9.18635 9.9693 17.1649 14.1321 8.48112 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 5.25149 6.19375 5.39218 7.57712 10.1832 7.31105 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 6.80214 14.1934 9.9693 17.6117 14.1321 8.48112 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 8.8113 16.607 8.80858 13.5186 5.8656 7.39839 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 6.23677 6.87755 7.49783 11.9987 11.5364 6.56437 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 6.23677 6.87755 7.49783 7.58998 6.88745 6.23882 numMergedOcc 0
25 mol 224 unq 3 iso 0 dist 6.23677 6.87755 7.49783 15.2131 12.1666 9.53131 numMergedOcc 0
26 mol 224 unq 4 iso 0 dist 6.23677 6.87755 7.49783 12.0605 9.9943 9.34636 numMergedOcc 0
27 mol 224 unq 5 iso 0 dist 9.04741 12.3271 7.49783 16.9768 11.5364 6.56437 numMergedOcc 0
28 mol 224 unq 6 iso 0 dist 9.04741 12.3271 7.49783 11.537 6.88745 6.23882 numMergedOcc 0
29 mol 224 unq 7 iso 0 dist 9.04741 12.3271 7.49783 20.0294 12.1666 9.53131 numMergedOcc 0
30 mol 224 unq 8 iso 0 dist 9.04741 12.3271 7.49783 15.9323 9.9943 9.34636 numMergedOcc 0
31 mol 224 unq 9 iso 0 dist 7.31608 11.0252 7.49783 16.8876 11.5364 6.56437 numMergedOcc 0
32 mol 224 unq 10 iso 0 dist 7.31608 11.0252 7.49783 12.3857 6.88745 6.23882 numMergedOcc 0
33 mol 224 unq 11 iso 0 dist 7.31608 11.0252 7.49783 16.7035 12.1666 9.53131 numMergedOcc 0
34 mol 224 unq 12 iso 0 dist 7.31608 11.0252 7.49783 11.2964 9.9943 9.34636 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 4.71683 5.52669 9.44496 9.13126 8.3795 9.10613 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.33567 6.51074 7.69358 8.57305 5.00751 5.81927 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 6.33567 5.57797 7.57187 8.57305 5.00751 6.09782 numMergedOcc 0
38 mol 258 unq 2 iso 0 dist 8.10903 9.78068 9.04358 7.70189 5.27718 8.58088 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 9.86267 7.02254 6.11671 12.1069 7.53628 5.90381 numMergedOcc 0
40 mol 265 unq 0 iso 0 dist 7.52632 6.35501 6.45326 9.50814 3.89234 9.72927 numMergedOcc 0
41 mol 274 unq 0 iso 0 dist 9.34051 7.23876 8.88221 6.12202 10.3702 9.02749 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 8.04712 5.28949 6.03235 8.81903 4.81768 6.60309 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 6.66936 7.44724 4.81916 6.23539 5.95045 6.90434 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 8.15119 5.77904 4.81916 12.4458 5.95045 6.90434 numMergedOcc 0
45 mol 280 unq 0 iso 0 dist 4.45141 7.38048 7.96485 13.7994 11.4101 8.85762 numMergedOcc 0
