0 mol 0 unq 0 iso 0 dist 9.83355 5.47921 6.26831 10.651 6.34883 9.6994 10.961 4.04089 9.23213 5.08793 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.83355 5.47921 6.26831 10.651 6.34883 9.6994 11.2375 7.56754 8.81979 5.63197 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.83355 5.47921 6.26831 6.94181 9.19662 7.15528 10.961 4.04089 9.23213 10.4498 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.83355 5.47921 6.26831 6.94181 9.19662 7.15528 11.2375 7.56754 8.81979 5.52201 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.97991 11.1182 8.44506 19.2753 13.2876 8.34347 15.0861 8.13684 6.73162 7.23546 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.09408 9.13494 7.1589 13.7005 6.37974 7.97049 17.0219 12.5072 9.47876 7.98917 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.09408 9.13494 7.1589 11.2447 5.08358 6.19965 17.0219 12.5072 9.47876 11.6116 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.07991 9.52181 6.34525 11.8382 11.128 7.5732 16.22 14.3491 8.71128 5.80557 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.03491 7.12329 5.74857 12.5786 6.08806 6.11741 6.87582 6.03931 6.99777 10.8292 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.03491 7.12329 5.74857 12.5786 6.08806 6.11741 12.696 5.99374 9.14376 6.12943 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 9.03491 7.12329 5.74857 9.93482 7.21418 7.88312 6.87582 6.03931 6.99777 11.7126 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 9.03491 7.12329 5.74857 9.93482 7.21418 7.88312 12.696 5.99374 9.14376 4.62962 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.20629 4.6251 7.77116 8.62648 3.78311 8.73993 12.5653 8.96522 9.63176 10.6679 numMergedOcc 0
13 mol 126 unq 0 iso 0 dist 9.31118 5.50061 9.46588 6.24392 5.5703 6.06638 10.8729 5.83002 7.75534 7.01257 numMergedOcc 0
14 mol 126 unq 1 iso 0 dist 8.44104 13.2671 9.46588 11.8562 5.5703 6.06638 12.3377 5.83002 7.75534 7.01257 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 6.86144 5.65167 6.51749 14.2227 13.8722 9.1374 12.5367 10.4684 6.94688 6.25083 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 6.86144 5.65167 6.51749 14.2227 13.8722 9.1374 11.772 12.69 6.71012 4.77278 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 6.86144 5.65167 6.51749 10.1105 5.93488 5.98885 12.5367 10.4684 6.94688 5.86342 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 6.86144 5.65167 6.51749 10.1105 5.93488 5.98885 11.772 12.69 6.71012 9.14057 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 6.86144 5.65167 6.51749 13.0338 7.64267 9.15386 12.5367 10.4684 6.94688 6.80228 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 6.86144 5.65167 6.51749 13.0338 7.64267 9.15386 11.772 12.69 6.71012 11.6919 numMergedOcc 0
21 mol 209 unq 0 iso 0 dist 9.93982 9.80484 8.41195 6.14896 4.90038 7.56373 11.2201 9.02883 9.52027 6.43758 numMergedOcc 0
22 mol 209 unq 1 iso 0 dist 9.9518 11.2558 8.41195 10.795 4.90038 7.56373 16.9282 9.02883 9.52027 6.43758 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 7.30003 5.68711 6.38157 13.6328 7.38025 9.65138 12.4978 9.26037 6.97182 6.16485 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 7.30003 5.68711 6.38157 13.6328 7.38025 9.65138 11.0481 11.353 6.1175 11.5712 numMergedOcc 0
25 mol 214 unq 2 iso 0 dist 7.30003 5.68711 6.38157 11.6154 9.35273 7.14453 12.4978 9.26037 6.97182 5.33565 numMergedOcc 0
26 mol 214 unq 3 iso 0 dist 7.30003 5.68711 6.38157 11.6154 9.35273 7.14453 11.0481 11.353 6.1175 5.06792 numMergedOcc 0
27 mol 214 unq 4 iso 0 dist 7.30003 5.68711 6.38157 11.5105 5.63388 8.85478 12.4978 9.26037 6.97182 8.47007 numMergedOcc 0
28 mol 214 unq 5 iso 0 dist 7.30003 5.68711 6.38157 11.5105 5.63388 8.85478 11.0481 11.353 6.1175 12.8334 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.28463 9.99053 7.32982 11.3262 12.3808 5.72887 13.4578 6.48619 9.29858 13.069 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 8.72947 13.1177 7.77998 18.8416 13.6942 9.02271 17.8247 14.5407 7.19465 7.92528 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 8.30744 5.43184 8.59697 8.57619 7.31951 5.30224 11.4829 12.1218 6.77938 4.99891 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 8.30744 5.43184 8.59697 8.57619 7.31951 5.30224 12.2858 9.22203 7.76676 5.32839 numMergedOcc 0
