0 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 9.61029 10.9837 8.44506 7.95969 12.2621 8.13684 6.73162 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 6.25276 6.38454 6.66954 8.28737 4.3931 4.79949 8.66353 10.8997 6.81799 8.97793 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 6.25276 6.38454 6.66954 8.28737 4.3931 4.79949 12.2209 11.4594 8.83525 8.19682 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 8.7389 11.5471 9.75201 12.2281 6.45686 7.27693 16.0804 11.1148 6.42322 8.97793 numMergedOcc 0
4 mol 76 unq 3 iso 0 dist 8.7389 11.5471 9.75201 12.2281 6.45686 7.27693 11.0222 7.03226 5.77727 8.19682 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.22984 6.16378 9.5669 5.09688 9.75737 7.12017 10.6273 14.4265 6.00843 8.72704 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.6157 5.69359 9.5669 9.26343 9.75737 7.12017 11.6898 14.4265 6.00843 8.72704 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 7.37771 10.1726 9.5669 13.8622 9.75737 7.12017 16.0785 14.4265 6.00843 8.72704 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.10479 8.3604 7.91683 15.2767 9.89358 7.77116 16.6402 15.8603 8.96522 9.63176 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.74658 6.53994 5.56627 9.69757 8.23791 8.71039 12.4356 11.4282 8.15392 8.6243 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.74658 13.4383 8.50562 9.69757 8.23791 6.92648 12.4356 11.4282 6.01893 8.6243 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 8.74658 13.4383 8.50562 12.5659 13.7237 9.29384 12.4356 11.4282 6.01893 6.91348 numMergedOcc 0
12 mol 131 unq 3 iso 0 dist 8.74658 13.4383 8.50562 12.5659 13.7237 9.29384 10.678 16.3398 15.1974 9.51418 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.14007 5.74529 6.94988 4.93035 7.42649 6.69515 6.70767 5.26989 8.00633 6.93652 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.97467 7.94812 7.46845 9.36561 5.81563 5.38091 9.32932 6.05323 5.33988 7.36119 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 14.3955 10.3766 10.4684 6.94688 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.6688 6.09526 7.11785 9.25528 5.6044 6.51749 15.6271 10.7723 12.69 6.71012 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 6.21588 10.2224 5.91727 7.92766 5.86489 6.85441 13.2566 11.641 10.7974 5.90931 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.85568 5.98086 7.95359 6.18486 6.67321 5.87815 5.31715 9.28891 4.3387 8.83563 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.06589 5.37783 8.15091 5.76077 5.78064 7.77998 10.6548 9.58354 14.5407 7.19465 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 8.70383 14.5125 8.15091 7.0247 5.78064 7.77998 3.494 9.58354 14.5407 7.19465 numMergedOcc 0
