0 mol 9 unq 0 iso 0 dist 6.02191 6.27808 8.77074 9.41073 4.74921 11.1449 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 6.69917 13.6284 9.00593 4.20692 8.75468 13.3238 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 6.69917 13.6284 9.00593 6.88969 7.62989 10.4507 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 6.69917 13.6284 9.00593 10.3116 5.70238 3.45063 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.64844 13.6749 7.27883 10.7132 9.31883 13.9292 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.64844 13.6749 7.27883 12.8676 9.475 12.332 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 8.64844 13.6749 7.27883 8.77785 8.34011 10.6903 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 8.64844 13.6749 7.27883 9.16728 6.29842 7.10408 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 6.50983 8.99307 6.12212 11.6588 8.55553 6.18479 numMergedOcc 0
9 mol 39 unq 1 iso 0 dist 6.50983 8.99307 6.12212 5.25652 5.00813 3.81369 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.26179 9.60689 6.53468 11.7078 8.59337 12.7709 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.26179 9.60689 6.53468 16.0942 7.66942 13.1304 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.26179 12.6588 5.90954 11.7078 8.59337 7.78675 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.26179 12.6588 5.90954 16.0942 7.66942 7.76917 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 8.52122 10.9853 9.82548 9.37497 4.72339 14.3069 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 8.52122 10.9853 9.82548 4.38642 6.48902 11.6056 numMergedOcc 0
16 mol 111 unq 2 iso 0 dist 8.52122 10.9853 9.82548 9.20246 7.21505 10.8119 numMergedOcc 0
17 mol 151 unq 0 iso 0 dist 8.40211 10.2163 5.87912 15.6052 9.06016 9.75631 numMergedOcc 0
18 mol 151 unq 1 iso 0 dist 8.40211 7.9137 7.06678 15.6052 9.06016 8.95545 numMergedOcc 0
19 mol 151 unq 2 iso 0 dist 8.24746 10.3952 5.87912 13.0205 9.06016 9.75631 numMergedOcc 0
20 mol 151 unq 3 iso 0 dist 8.24746 4.83603 7.06678 13.0205 9.06016 8.95545 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 8.15524 10.973 6.92225 10.7405 8.06621 10.5886 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 9.81782 8.19834 9.91132 4.86107 8.12238 3.55677 numMergedOcc 0
23 mol 163 unq 0 iso 0 dist 7.64106 6.74862 9.3832 3.76674 7.69757 3.65465 numMergedOcc 0
24 mol 163 unq 1 iso 0 dist 7.64106 12.1164 6.0247 3.76674 7.69757 11.458 numMergedOcc 0
25 mol 163 unq 2 iso 0 dist 7.64106 11.5172 6.40873 3.76674 7.69757 9.56095 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 7.55147 5.42433 5.36078 13.7538 9.02222 12.3916 numMergedOcc 0
27 mol 182 unq 0 iso 0 dist 7.60057 7.38467 9.52012 9.03379 9.19506 6.13129 numMergedOcc 0
28 mol 182 unq 1 iso 0 dist 7.60057 7.38467 9.52012 10.1184 9.94904 4.38036 numMergedOcc 0
29 mol 182 unq 2 iso 0 dist 7.60057 7.38467 9.52012 9.8017 9.30893 9.10159 numMergedOcc 0
30 mol 213 unq 0 iso 0 dist 9.95628 12.1 8.91912 12.0117 7.79105 12.2295 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 9.3946 7.23426 7.03236 3.83464 6.19029 5.28999 numMergedOcc 0
32 mol 270 unq 0 iso 0 dist 5.63728 5.73572 4.95899 7.3757 8.38298 4.67653 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.2551 3.93775 5.70326 7.03845 4.61089 4.20802 numMergedOcc 0
