0 mol 26 unq 0 iso 0 dist 9.61029 6.32127 10.9837 7.95969 6.73162 12.2621 9.77186 8.44506 9.5053 8.13684 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.28463 7.24775 14.3929 3.71754 9.77484 7.60283 14.2929 19.9619 7.45532 14.2471 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 8.66353 8.97793 10.8997 6.38454 4.79949 6.66954 6.81799 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.28737 6.25276 4.3931 12.2209 8.19682 11.4594 6.38454 4.79949 6.66954 8.83525 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 10.6273 8.72704 14.4265 6.16378 7.12017 9.5669 6.00843 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.91446 6.6157 7.16919 7.39527 4.76815 7.09065 5.69359 10.8066 9.5669 10.2428 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 11.6898 8.72704 14.4265 5.69359 7.12017 9.5669 6.00843 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.69757 8.74658 8.23791 12.4356 8.6243 11.4282 6.53994 8.71039 5.56627 8.15392 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 9.69757 8.74658 8.23791 12.4356 8.6243 11.4282 13.4383 6.92648 8.50562 6.01893 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 4.93035 9.14007 7.42649 6.70767 6.93652 5.26989 5.74529 6.69515 6.94988 8.00633 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.96824 5.6688 6.29863 5.54495 6.93764 9.93639 6.09526 11.6563 7.11785 11.2999 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.25528 5.6688 5.6044 14.3955 6.94688 10.3766 6.09526 6.51749 7.11785 10.4684 numMergedOcc 0
12 mol 181 unq 2 iso 0 dist 9.25528 5.6688 5.6044 15.6271 6.71012 10.7723 6.09526 6.51749 7.11785 12.69 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 13.0784 6.73313 16.5308 9.14827 11.2087 8.52103 16.7761 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 13.2566 5.90931 11.641 10.2224 6.85441 5.91727 10.7974 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 6.18486 8.85568 6.67321 5.31715 8.83563 9.28891 5.98086 5.87815 7.95359 4.3387 numMergedOcc 0
16 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 6.49019 8.80086 10.8727 9.67078 13.1352 5.93798 13.3093 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 10.6548 7.19465 9.58354 5.37783 7.77998 8.15091 14.5407 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 7.0247 8.70383 5.78064 3.494 7.19465 9.58354 14.5125 7.77998 8.15091 14.5407 numMergedOcc 0
