0 mol 0 unq 0 iso 0 dist 9.89919 11.185 9.42137 15.0127 11.6896 9.6994 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.89919 11.185 9.42137 16.3544 14.5258 7.15528 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.20956 5.51815 6.89666 6.49709 4.73237 4.61088 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.31896 5.58255 6.45858 9.28341 4.05028 6.38364 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.07029 10.1933 6.88695 12.8678 5.3315 8.34347 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 9.12062 7.16404 7.10899 12.4972 10.8741 9.24927 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 8.19347 5.73028 5.73067 12.4336 5.79134 7.50293 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 8.19347 5.73028 5.73067 13.2584 5.48241 9.91611 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 6.01552 6.53977 8.46556 5.50504 4.90701 6.72123 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 6.48746 7.70414 8.99491 9.56181 4.96726 9.67592 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 6.17345 7.09012 8.88225 11.065 8.73453 9.5497 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 6.82522 14.1188 9.65047 8.07365 5.33325 7.27724 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.82522 14.1188 9.65047 12.3834 5.69671 8.03644 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 9.89353 9.70895 9.65047 12.4296 5.33325 7.27724 numMergedOcc 0
14 mol 95 unq 3 iso 0 dist 9.89353 9.70895 9.65047 6.86713 5.69671 8.03644 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 5.93206 6.32175 8.73648 11.1563 9.47324 7.34473 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 5.93206 6.32175 8.73648 9.23803 4.93112 8.58044 numMergedOcc 0
17 mol 109 unq 2 iso 0 dist 5.93206 6.32175 8.73648 8.05028 4.48038 9.97763 numMergedOcc 0
18 mol 126 unq 0 iso 0 dist 8.7347 8.50279 8.32241 11.0723 4.84035 6.06638 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.49649 13.0109 9.55556 9.87619 11.9294 8.94367 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 8.49649 13.0109 9.55556 5.79157 6.36794 9.86662 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 6.28071 4.07683 6.87731 9.79271 4.59462 9.62191 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 4.17978 4.8419 7.16386 10.5119 9.02283 9.41367 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.69335 14.0644 9.07872 18.0212 9.9474 7.09863 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 5.36841 14.4432 9.07872 14.2039 9.9474 7.09863 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 4.38586 6.81165 8.6537 8.53615 8.65216 8.22528 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 4.38586 6.81165 8.6537 11.0334 10.7439 7.03423 numMergedOcc 0
27 mol 229 unq 2 iso 0 dist 4.38586 6.21905 5.57702 9.97251 6.21233 9.87838 numMergedOcc 0
28 mol 229 unq 3 iso 0 dist 9.40399 13.4159 8.6537 17.5293 8.65216 8.22528 numMergedOcc 0
29 mol 229 unq 4 iso 0 dist 9.40399 13.4159 8.6537 18.22 10.7439 7.03423 numMergedOcc 0
30 mol 229 unq 5 iso 0 dist 9.40399 6.91804 5.57702 14.2678 6.21233 9.87838 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 5.65943 5.28657 7.46434 10.4208 13.0285 8.41436 numMergedOcc 0
32 mol 234 unq 1 iso 0 dist 5.65943 5.28657 7.46434 13.7219 13.9912 8.92474 numMergedOcc 0
33 mol 235 unq 0 iso 0 dist 6.91126 6.70342 9.11256 6.45574 6.84447 5.4638 numMergedOcc 0
34 mol 235 unq 1 iso 0 dist 9.48967 6.70342 7.08539 6.45574 7.38431 5.4638 numMergedOcc 0
35 mol 235 unq 2 iso 0 dist 6.43002 6.01036 7.08539 8.14407 7.38431 5.4638 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 6.79115 8.93012 9.89665 5.77925 4.38595 6.84306 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 6.79115 8.93012 9.89665 11.8216 11.247 7.68742 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 6.79115 10.5925 9.05929 10.4879 4.32403 8.04248 numMergedOcc 0
39 mol 236 unq 3 iso 0 dist 6.79115 10.5925 9.05929 5.77925 4.38595 8.35971 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 5.66945 5.3674 8.40773 6.90245 6.72492 7.4631 numMergedOcc 0
41 mol 261 unq 0 iso 0 dist 8.07113 4.63237 8.65236 9.80409 4.49913 9.14619 numMergedOcc 0
42 mol 261 unq 1 iso 0 dist 8.07113 6.39263 9.73983 9.80409 4.49913 8.45658 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 8.99187 5.67679 9.30668 11.5946 8.04474 8.2734 numMergedOcc 0
44 mol 292 unq 1 iso 0 dist 7.60019 5.0721 7.53641 10.0145 5.58251 8.2734 numMergedOcc 0
