0 mol 46 unq 0 iso 0 dist 9.30547 5.99558 9.98353 13.4254 9.27409 9.23733 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 9.60916 10.199 9.83906 6.22691 5.51406 11.5684 numMergedOcc 0
2 mol 91 unq 1 iso 0 dist 9.44798 13.2946 9.83906 10.7783 5.51406 11.5684 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.38353 5.41081 6.61879 10.3969 7.11127 9.18589 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.38353 5.41081 6.61879 4.65134 6.91655 5.90337 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 7.38353 5.59251 7.81131 10.3969 7.11127 9.58876 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 7.38353 5.59251 7.81131 4.65134 6.91655 5.64135 numMergedOcc 0
7 mol 92 unq 4 iso 0 dist 6.39759 5.38868 5.74364 10.2731 9.18898 9.52463 numMergedOcc 0
8 mol 92 unq 5 iso 0 dist 6.39759 5.38868 5.74364 4.66752 7.67331 6.07224 numMergedOcc 0
9 mol 92 unq 6 iso 0 dist 6.39759 5.80362 8.60026 10.2731 9.18898 9.30089 numMergedOcc 0
10 mol 92 unq 7 iso 0 dist 6.39759 5.80362 8.60026 4.66752 7.67331 5.77554 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 4.45006 6.26117 7.62629 11.3276 7.4518 10.9752 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 4.45006 6.26117 7.62629 7.81661 9.1687 10.2765 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 5.32517 6.01778 5.4772 5.8344 8.87314 5.85033 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 5.63173 9.16854 9.31907 5.14992 7.31633 10.1546 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 8.47476 11.948 6.32669 14.894 7.6793 4.8653 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.99093 12.2622 6.13872 5.30632 5.66363 9.21613 numMergedOcc 0
17 mol 188 unq 0 iso 0 dist 8.72253 5.13959 8.48582 9.40088 9.99421 9.411 numMergedOcc 0
18 mol 188 unq 1 iso 0 dist 8.72253 5.13959 8.48582 5.54913 9.37017 8.98299 numMergedOcc 0
19 mol 188 unq 2 iso 0 dist 8.72253 11.2429 9.94804 9.40088 9.99421 6.29343 numMergedOcc 0
20 mol 188 unq 3 iso 0 dist 8.72253 11.2429 9.94804 5.54913 9.37017 11.054 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 5.29176 5.03242 5.67196 9.11934 8.62191 6.08392 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 5.91079 5.03046 6.09754 5.68053 5.86419 5.42117 numMergedOcc 0
