0 mol 0 unq 0 iso 0 dist 9.83355 5.47921 6.26831 10.961 4.04089 9.23213 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.83355 5.47921 6.26831 11.2375 7.56754 8.81979 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.97991 11.1182 8.44506 15.0861 8.13684 6.73162 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.42735 6.71804 4.79949 8.35595 6.81799 8.97793 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 9.42735 6.71804 4.79949 6.22513 8.83525 8.19682 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 9.98078 6.71804 7.27693 8.35595 6.42322 8.97793 numMergedOcc 0
6 mol 76 unq 3 iso 0 dist 9.98078 6.71804 7.27693 6.22513 5.77727 8.19682 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 8.09408 9.13494 7.1589 17.0219 12.5072 9.47876 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.07991 9.52181 6.34525 16.22 14.3491 8.71128 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.03491 7.12329 5.74857 6.87582 6.03931 6.99777 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 9.03491 7.12329 5.74857 12.696 5.99374 9.14376 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.20629 4.6251 7.77116 12.5653 8.96522 9.63176 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.31118 5.50061 9.46588 10.8729 5.83002 7.75534 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 8.44104 13.2671 9.46588 12.3377 5.83002 7.75534 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.86144 5.65167 6.51749 12.5367 10.4684 6.94688 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.86144 5.65167 6.51749 11.772 12.69 6.71012 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 5.7371 5.87898 6.96521 8.60851 4.05564 6.95408 numMergedOcc 0
17 mol 209 unq 0 iso 0 dist 9.93982 9.80484 8.41195 11.2201 9.02883 9.52027 numMergedOcc 0
18 mol 209 unq 1 iso 0 dist 9.9518 11.2558 8.41195 16.9282 9.02883 9.52027 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.30003 5.68711 6.38157 12.4978 9.26037 6.97182 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 7.30003 5.68711 6.38157 11.0481 11.353 6.1175 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.28463 4.99401 6.66971 10.6591 5.8333 9.90142 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 9.28463 5.07768 6.4398 13.4578 6.48619 9.68513 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 9.28463 5.07768 6.4398 10.6591 5.8333 5.9216 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 9.28463 9.99053 7.32982 13.4578 6.48619 9.29858 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.72947 13.1177 7.77998 17.8247 14.5407 7.19465 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.14632 6.64096 9.95546 7.48361 5.21218 7.14834 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.30744 5.43184 8.59697 11.4829 12.1218 6.77938 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 8.30744 5.43184 8.59697 12.2858 9.22203 7.76676 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.9766 5.56999 7.4099 9.89613 12.6784 6.50589 numMergedOcc 0
30 mol 276 unq 0 iso 0 dist 9.55021 14.1702 6.70215 13.4741 5.86074 9.38971 numMergedOcc 0
31 mol 276 unq 1 iso 0 dist 9.55021 9.23255 7.23916 13.4741 5.86074 8.71541 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.44868 6.00521 8.0241 12.1445 5.86276 9.58517 numMergedOcc 0
