0 mol 20 unq 0 iso 0 dist 5.9809 8.19827 4.7579 4.49303 7.99756 7.47395 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.83917 8.19827 3.21365 4.49303 4.36087 7.47395 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 5.83917 8.19827 3.21365 6.00525 7.09639 9.78752 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 7.882 7.4403 3.41186 3.76025 6.52283 4.75881 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 6.016 8.61815 3.41186 8.50202 6.52283 4.75881 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 8.13051 8.55712 9.88975 10.5052 9.10675 16.5305 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 5.29949 5.45882 8.39067 5.46299 9.60127 5.88896 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 5.29949 4.57487 7.44033 5.46299 9.60127 7.84239 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.46803 8.08798 5.94217 4.19541 6.60366 4.3855 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 8.66162 7.76863 4.7839 3.99343 7.33774 8.32259 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 8.66162 7.76863 4.7839 11.4601 6.39122 8.54737 numMergedOcc 0
11 mol 204 unq 2 iso 0 dist 5.3819 4.51124 5.80328 6.68247 8.23717 8.32259 numMergedOcc 0
12 mol 204 unq 3 iso 0 dist 5.3819 4.51124 5.80328 7.51762 7.98864 9.93489 numMergedOcc 0
13 mol 204 unq 4 iso 0 dist 5.3819 8.41517 3.68217 6.68247 8.23717 8.54737 numMergedOcc 0
14 mol 204 unq 5 iso 0 dist 5.3819 8.41517 3.68217 7.51762 7.98864 7.64057 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 9.58372 7.72298 3.64285 6.05252 7.70062 7.96338 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.58372 7.72298 3.64285 4.00138 7.66702 7.42759 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.61306 8.5244 5.42052 9.62853 6.17843 10.8886 numMergedOcc 0
18 mol 218 unq 1 iso 0 dist 8.61306 8.5244 5.42052 13.697 8.52772 12.4557 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.91356 9.27079 14.9585 16.5061 8.74463 22.4932 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 7.12731 8.33629 5.88058 4.43574 9.50001 11.1444 numMergedOcc 0
21 mol 254 unq 0 iso 0 dist 9.66641 7.23916 8.8967 6.19835 5.6417 7.85841 numMergedOcc 0
22 mol 254 unq 1 iso 0 dist 9.66641 6.12653 10.929 6.19835 5.6417 9.20109 numMergedOcc 0
23 mol 254 unq 2 iso 0 dist 9.26575 7.23916 9.42679 6.19835 7.42831 7.85841 numMergedOcc 0
24 mol 254 unq 3 iso 0 dist 9.26575 6.12653 10.706 6.19835 7.42831 9.20109 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 8.5613 5.30187 10.6938 6.03233 9.73217 9.01781 numMergedOcc 0
26 mol 286 unq 0 iso 0 dist 7.31896 9.81574 5.83399 3.74137 8.75926 12.7554 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.59762 7.77225 9.67163 8.99193 4.93516 12.9723 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.59762 5.50067 3.66473 8.99193 4.93516 4.68668 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 8.59762 7.77225 9.67163 8.99193 4.93516 12.9723 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 8.59762 5.50067 3.66473 8.99193 4.93516 4.68668 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 8.59762 7.77225 9.67163 8.99193 4.93516 12.9723 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 8.59762 5.50067 3.66473 8.99193 4.93516 4.68668 numMergedOcc 0
