0 mol 26 unq 0 iso 0 dist 9.15677 15.7188 6.73162 14.1383 8.44506 8.13684 12.9043 10.9837 12.2621 9.5053 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 7.95969 6.73162 9.77186 8.44506 8.13684 6.32127 10.9837 12.2621 9.5053 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.28737 8.66353 8.97793 6.38454 4.79949 6.81799 6.25276 4.3931 10.8997 6.66954 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.28737 8.66353 8.97793 11.5407 7.27693 6.42322 13.2115 6.45686 11.1148 9.75201 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.28737 12.2209 8.19682 6.38454 4.79949 8.83525 6.25276 4.3931 11.4594 6.66954 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 8.28737 12.2209 8.19682 11.5407 7.27693 5.77727 13.2115 6.45686 7.03226 9.75201 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.09688 10.6273 8.72704 6.16378 7.12017 6.00843 8.22984 9.75737 14.4265 9.5669 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.26343 11.6898 8.72704 5.69359 7.12017 6.00843 6.6157 9.75737 14.4265 9.5669 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 11.3694 6.34525 14.3491 18.3361 12.7083 20.6955 9.35942 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.69757 12.4356 8.6243 6.53994 8.71039 8.15392 13.1409 7.92788 10.7802 8.92828 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 9.69757 12.4356 8.6243 6.53994 8.71039 8.15392 8.74658 8.23791 11.4282 5.56627 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 9.69757 12.4356 8.6243 13.4383 6.92648 6.01893 13.1409 7.92788 10.7802 5.44303 numMergedOcc 0
12 mol 131 unq 3 iso 0 dist 9.69757 12.4356 8.6243 13.4383 6.92648 6.01893 8.74658 8.23791 11.4282 8.50562 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 4.93035 6.70767 6.93652 5.74529 6.69515 8.00633 9.78937 10.1386 9.40594 4.46777 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 4.93035 6.70767 6.93652 5.74529 6.69515 8.00633 9.14007 7.42649 5.26989 6.94988 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.25528 14.3955 6.94688 6.09526 6.51749 10.4684 5.6688 5.6044 10.3766 7.11785 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.25528 15.6271 6.71012 6.09526 6.51749 12.69 5.6688 5.6044 10.7723 7.11785 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.92766 13.2566 5.90931 10.2224 6.85441 10.7974 6.21588 5.86489 11.641 5.91727 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 6.18486 5.31715 8.83563 5.98086 5.87815 4.3387 8.85568 6.67321 9.28891 7.95359 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 5.76077 10.6548 7.19465 5.37783 7.77998 14.5407 7.06589 5.78064 9.58354 8.15091 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 7.0247 3.494 7.19465 14.5125 7.77998 14.5407 8.70383 5.78064 9.58354 8.15091 numMergedOcc 0
