0 mol 7 unq 0 iso 0 dist 8.88982 11.2808 7.15434 6.10226 5.70161 6.0323 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 8.51112 13.0082 9.31271 21.0226 16.5607 8.79533 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.60918 8.99471 8.4361 10.7526 5.64581 7.65729 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 8.51213 10.2716 6.39243 12.376 4.96555 6.72533 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 8.51213 10.3407 9.1715 12.376 4.96555 8.29216 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 9.28346 8.4541 9.28932 16.4413 10.6695 9.72314 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.04163 4.33482 6.10011 11.3999 8.04817 7.84699 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.04163 4.33482 6.10011 12.0249 9.76331 8.40844 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.04163 4.33482 6.10011 11.2944 10.4402 6.99156 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.88953 9.08957 6.10011 12.6863 8.04817 7.84699 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.88953 9.08957 6.10011 16.1646 9.76331 8.40844 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.88953 9.08957 6.10011 14.2743 10.4402 6.99156 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 6.31203 5.50714 8.44515 10.4836 10.4263 8.39015 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 9.60425 6.63536 8.81172 5.38954 6.29427 5.24519 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 9.50809 6.43724 7.76202 11.8218 6.92879 6.6081 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 6.32178 5.58691 6.54987 11.2782 7.38651 7.94564 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.32178 5.58691 6.54987 14.045 10.3334 9.21999 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 7.2977 5.35536 6.54987 12.1656 7.38651 7.94564 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 7.2977 5.35536 6.54987 12.8198 10.3334 9.21999 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 6.40792 6.09043 7.83582 9.83976 12.1389 9.74209 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 7.81701 10.7377 7.83582 10.4396 12.1389 9.74209 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.67129 4.27597 7.97349 8.22039 7.20524 9.98097 numMergedOcc 0
22 mol 212 unq 0 iso 0 dist 8.13678 16.2018 9.47932 17.5212 9.7586 6.41916 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 6.92721 5.32735 6.83046 5.62744 5.29737 4.21935 numMergedOcc 0
24 mol 252 unq 0 iso 0 dist 7.58175 13.462 6.41821 9.67923 4.98533 7.74647 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 5.31858 5.06393 8.21585 8.8726 9.22664 6.59521 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 6.68878 4.94144 9.05762 11.6871 8.80293 9.56414 numMergedOcc 0
