0 mol 11 unq 0 iso 0 dist 6.49709 5.51815 4.61088 6.20956 4.73237 6.89666 10.6872 7.86896 9.23212 5.25951 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.28341 5.58255 6.38364 11.467 5.63648 8.13983 12.9829 4.15151 8.91266 5.06934 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 9.28341 5.58255 6.38364 8.31896 4.05028 6.45858 12.9829 4.15151 8.91266 6.35274 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 6.67213 6.57102 9.0709 12.7201 13.6102 7.12423 14.0676 12.8917 9.06397 10.8401 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.56181 7.70414 9.67592 6.48746 4.96726 8.99491 8.71324 9.73304 9.10915 11.1165 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.56181 7.70414 9.67592 6.48746 4.96726 8.99491 13.1382 10.8918 8.66921 13.6507 numMergedOcc 0
6 mol 64 unq 2 iso 0 dist 9.56181 7.70414 9.67592 6.48746 4.96726 8.99491 9.5663 5.59762 5.54343 7.89444 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 6.82522 5.33325 9.65047 20.7645 13.018 9.40559 15.0981 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 6.86713 9.70895 8.03644 9.89353 5.69671 9.65047 16.1256 11.8978 9.40559 15.0981 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.79157 14.1608 9.71307 11.4524 6.20443 9.60411 17.7351 12.4156 5.67862 10.6313 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 15.5526 11.3469 8.30654 10.4073 5.11989 7.5984 11.7934 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 8.58471 10.3518 6.18308 11.8094 3.84723 8.62103 17.8352 13.3929 8.07523 14.9127 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 8.58471 10.3518 6.18308 11.8094 3.84723 8.62103 15.2952 12.3088 7.56882 14.823 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 5.77925 10.5925 8.35971 6.79115 4.38595 9.05929 10.5189 5.27568 6.73134 6.0905 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 8.95071 18.4732 9.99038 19.6342 13.8124 8.90987 14.2393 10.2557 9.97357 7.84468 numMergedOcc 0
15 mol 241 unq 0 iso 0 dist 8.23536 5.50714 7.4631 12.5052 6.72492 8.40773 11.0484 7.93809 6.40592 4.84498 numMergedOcc 0
16 mol 241 unq 1 iso 0 dist 8.23536 5.50714 7.4631 11.2123 9.87799 9.18476 11.0484 7.93809 6.40592 6.70277 numMergedOcc 0
17 mol 241 unq 2 iso 0 dist 6.90245 5.3674 7.4631 5.66945 6.72492 8.40773 7.16232 7.93809 6.40592 4.84498 numMergedOcc 0
18 mol 241 unq 3 iso 0 dist 6.90245 5.3674 7.4631 12.4569 9.87799 9.18476 7.16232 7.93809 6.40592 6.70277 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 9.80409 6.39263 8.45658 8.07113 4.49913 9.73983 6.93654 13.3163 8.50313 11.7215 numMergedOcc 0
20 mol 261 unq 1 iso 0 dist 9.80409 6.39263 8.45658 8.07113 4.49913 9.73983 9.66298 13.6041 7.6414 13.4973 numMergedOcc 0
