0 mol 9 unq 0 iso 0 dist 9.79863 8.46229 7.50668 3.96333 9.47528 8.30653 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 5.96514 12.4232 7.26639 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 9.07673 16.109 9.86334 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 9.07673 14.0352 9.86334 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 6.34794 7.09405 4.98189 7.7492 11.6946 8.49678 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.28645 7.53905 6.95852 3.61827 12.3351 9.05166 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.28645 7.53905 6.95852 3.78964 7.77418 5.56994 numMergedOcc 0
7 mol 180 unq 0 iso 0 dist 9.71085 7.1027 6.43878 3.81673 11.9885 8.82325 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 7.19461 9.86015 6.64173 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 9.77747 12.3619 9.01624 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 9.14877 9.84952 7.07865 10.0615 14.0951 9.55105 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 8.18021 9.84952 13.9526 7.19461 13.6966 6.64173 numMergedOcc 0
12 mol 181 unq 4 iso 0 dist 8.18021 9.84952 13.9526 9.77747 14.8505 9.01624 numMergedOcc 0
13 mol 181 unq 5 iso 0 dist 8.18021 9.84952 13.9526 10.0615 16.671 9.55105 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.52322 8.96988 6.94867 3.6848 7.12029 8.90571 numMergedOcc 0
15 mol 207 unq 0 iso 0 dist 7.98453 9.18896 5.62653 9.63192 8.01415 5.12567 numMergedOcc 0
16 mol 207 unq 1 iso 0 dist 7.98453 9.18896 5.62653 5.10056 8.25861 6.0563 numMergedOcc 0
17 mol 207 unq 2 iso 0 dist 7.98453 9.18896 5.62653 3.94578 8.5067 8.1244 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 5.47184 6.91906 7.46481 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 3.72432 11.2132 7.27993 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 9.33775 8.75374 7.3983 3.72432 11.2132 9.51168 numMergedOcc 0
21 mol 229 unq 2 iso 0 dist 9.33775 5.57702 10.9466 3.72432 11.2132 6.95201 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 9.27027 7.82899 6.64096 14.9352 12.651 8.83833 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 9.54522 6.95658 9.07743 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 9.03983 6.42725 7.27401 11.761 15.0752 8.03219 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 9.03983 6.42725 7.27401 6.09466 13.0809 6.9899 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 6.43775 7.36905 6.46871 3.63202 7.05095 5.90924 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 6.43775 6.83408 6.62911 3.63202 7.05095 9.58916 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 9.04647 9.65265 5.56999 18.3627 11.9385 9.30212 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.04647 9.65265 5.56999 11.4981 10.4698 6.4611 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.18581 5.75596 5.52597 6.65781 12.4479 9.9182 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 9.18581 5.75596 5.52597 4.00064 12.009 8.9221 numMergedOcc 0
32 mol 292 unq 2 iso 0 dist 9.18581 8.37867 11.698 6.65781 12.4479 9.10788 numMergedOcc 0
33 mol 292 unq 3 iso 0 dist 9.18581 8.37867 11.698 4.00064 12.009 8.85064 numMergedOcc 0
34 mol 292 unq 4 iso 0 dist 7.40069 7.53641 9.38462 10.0594 9.79411 7.20674 numMergedOcc 0
35 mol 292 unq 5 iso 0 dist 7.40069 7.53641 9.38462 15.5666 15.7749 8.38121 numMergedOcc 0
