0 mol 26 unq 0 iso 0 dist 8.42581 5.11733 7.90721 5.497 5.45023 6.7142 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.61055 10.267 6.73167 7.3022 5.30297 6.07276 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.19733 5.94068 7.99016 6.24515 5.14532 8.20298 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.19733 6.96883 6.41793 6.24515 5.14532 6.13351 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.57165 13.5954 7.99016 13.709 5.14532 8.20298 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 8.57165 13.0639 6.41793 13.709 5.14532 6.13351 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 5.52067 9.95354 7.56029 6.42834 4.85777 6.21128 numMergedOcc 0
7 mol 41 unq 1 iso 0 dist 5.52067 9.95354 7.56029 9.12422 4.02147 9.57024 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.85041 12.1673 7.8435 21.3303 15.8624 9.19977 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.85041 12.1673 7.8435 18.9091 14.7862 7.28831 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 7.85041 12.1673 7.8435 17.0156 9.42916 9.71411 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 7.20953 4.67929 7.44838 5.03173 4.22355 7.77089 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.82011 8.36589 5.43933 13.5414 5.91698 7.67238 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.82011 9.69404 7.44041 17.8039 15.0784 8.72725 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.39683 8.34485 6.78801 14.0282 5.66194 7.75314 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 7.88655 4.38322 8.612 6.46089 6.60479 5.06564 numMergedOcc 0
16 mol 143 unq 1 iso 0 dist 7.88655 4.38322 8.612 10.1154 7.54337 7.5373 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 7.53158 12.9875 9.82982 18.263 13.1849 8.71789 numMergedOcc 0
18 mol 154 unq 1 iso 0 dist 7.53158 12.9875 9.82982 16.7999 11.4511 5.2693 numMergedOcc 0
19 mol 154 unq 2 iso 0 dist 7.43407 11.8727 9.82982 15.0065 13.1849 8.71789 numMergedOcc 0
20 mol 154 unq 3 iso 0 dist 7.43407 11.8727 9.82982 15.4742 11.4511 5.2693 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 6.39981 9.88872 6.11331 12.3466 10.8263 9.97968 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 7.13269 4.27525 6.07821 5.9032 7.97232 9.35202 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 7.48284 6.39872 7.79115 11.4648 5.0782 8.66624 numMergedOcc 0
24 mol 194 unq 0 iso 0 dist 9.77862 8.31541 5.53324 11.6497 5.92931 4.19371 numMergedOcc 0
25 mol 194 unq 1 iso 0 dist 9.77862 6.72001 6.72182 9.3402 7.50057 9.00322 numMergedOcc 0
26 mol 195 unq 0 iso 0 dist 9.79691 10.5776 6.34234 14.0228 6.0634 6.22742 numMergedOcc 0
27 mol 195 unq 1 iso 0 dist 9.79691 4.18074 7.87972 9.82588 11.4252 9.24936 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 7.39624 6.2381 8.21997 7.69296 4.23527 5.31416 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 7.29542 6.24324 7.8744 10.8228 8.98957 6.94762 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 7.29542 6.24324 7.8744 7.73748 6.59663 7.7086 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 7.1372 4.09934 9.43618 12.2922 12.8075 9.18728 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 7.1372 4.09934 9.43618 7.57454 4.59123 8.91971 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 9.31673 4.47008 9.11454 7.31773 5.92143 8.97952 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 6.57207 9.43777 9.39658 16.7719 17.2823 8.09509 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 6.94131 4.42663 5.4307 8.85779 9.76492 5.61969 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 6.94131 4.42663 5.4307 12.753 11.5256 9.0277 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 8.23056 10.8722 7.37478 12.8413 5.89415 8.98854 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 8.23056 10.8722 7.37478 17.3994 15.1378 9.42255 numMergedOcc 0
