0 mol 48 unq 0 iso 0 dist 5.51024 4.05688 6.17378 7.95438 5.46483 5.37439 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.51024 4.05688 6.17378 11.1793 7.86518 8.3714 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 5.51024 4.05688 6.17378 9.04786 9.92075 6.36817 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 9.05521 7.73238 8.78414 11.6639 4.73277 8.14512 numMergedOcc 0
4 mol 63 unq 1 iso 0 dist 9.05521 7.73238 8.78414 7.8778 10.1907 9.13228 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 8.67784 9.31762 9.40687 14.9185 13.6138 9.66837 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 7.73262 4.74305 4.30875 9.1157 3.52445 7.02358 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.51345 9.06811 4.30875 10.9154 3.52445 7.02358 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.58493 3.71319 9.45013 6.58422 7.30495 6.21029 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.58493 3.71319 9.45013 7.3548 9.57858 8.16325 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.6182 14.8759 8.21227 18.216 9.99868 5.86767 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.6182 14.8759 8.21227 14.7125 6.91388 5.28353 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 7.89555 5.12881 4.11374 9.4285 3.59996 6.96715 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 9.05612 3.96954 7.65903 7.57745 3.18152 5.10589 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 9.05612 5.64761 5.97653 7.57745 3.18152 4.63336 numMergedOcc 0
15 mol 169 unq 3 iso 0 dist 9.05612 8.90181 7.75523 7.57745 3.18152 6.10715 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.62111 10.3741 7.70062 13.968 7.87816 8.66082 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 9.62111 10.3741 7.70062 10.9778 3.64285 7.96338 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 9.62111 8.43731 7.66702 10.9778 3.64285 7.42759 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.22452 3.54301 6.22311 6.00177 5.96434 6.24487 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.22452 3.54301 6.22311 6.00177 5.96434 6.24487 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.22452 3.54301 6.22311 6.00177 5.96434 6.24487 numMergedOcc 0
