0 mol 25 unq 0 iso 0 dist 7.05196 4.69295 8.07318 8.87757 3.904 9.16515 7.33728 5.20109 4.98822 6.25843 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.05196 4.69295 8.07318 8.87757 3.904 9.16515 13.9331 12.506 13.4321 8.88938 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 6.55597 6.47509 8.07318 7.45383 4.98822 5.20109 5.77929 9.16515 3.904 6.25843 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 4.79873 5.63212 7.44277 6.16347 5.46578 5.20109 6.08585 9.35791 3.904 6.25843 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.13108 13.5024 9.59729 13.9633 10.1364 7.46095 19.7346 15.2551 6.6642 8.95905 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.76379 5.09159 8.64934 14.2829 9.51372 9.77084 6.79583 7.43127 3.99035 9.78384 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 9.76379 5.09159 8.64934 14.2829 9.51372 9.77084 16.0481 15.1749 12.2375 8.87742 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 9.76379 5.09159 8.64934 14.2829 9.51372 9.77084 11.6062 10.8054 6.69352 4.93468 numMergedOcc 0
8 mol 79 unq 3 iso 0 dist 9.76379 10.867 8.7515 14.2829 9.51372 6.5551 6.79583 7.43127 4.53016 9.78384 numMergedOcc 0
9 mol 79 unq 4 iso 0 dist 9.76379 10.867 8.7515 14.2829 9.51372 6.5551 16.0481 15.1749 13.1414 8.87742 numMergedOcc 0
10 mol 79 unq 5 iso 0 dist 9.76379 10.867 8.7515 14.2829 9.51372 6.5551 11.6062 10.8054 6.0749 4.93468 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.33861 6.95017 8.89015 11.3767 3.71113 8.98912 14.3301 12.2123 11.9597 9.60622 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 9.33861 6.95017 8.89015 7.52354 4.52323 8.93769 14.3301 12.2123 11.9597 9.91054 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 5.56994 6.09562 7.31064 9.28592 5.08111 9.26353 5.76986 6.11407 10.4943 7.80873 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 5.58833 6.16616 8.25397 4.97175 4.28744 9.35533 4.55551 9.8591 8.3321 7.59327 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.33094 8.06642 8.62504 6.23142 6.93712 9.0176 9.87376 10.1824 15.0575 6.40575 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.69531 4.00092 8.62504 9.94764 6.93712 9.0176 14.9876 10.1824 15.0575 6.40575 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.07097 13.2918 7.92216 11.0743 10.0208 6.65731 14.8238 17.2659 14.0725 9.10042 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 8.07097 13.2918 7.92216 11.0743 10.0208 6.65731 12.6409 15.2695 13.1981 9.75059 numMergedOcc 0
19 mol 141 unq 2 iso 0 dist 8.07097 13.2918 7.92216 11.0743 10.0208 6.65731 10.1386 5.92302 3.98068 6.83404 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.01624 5.42158 9.92831 5.94469 11.9796 8.06308 9.69409 15.0909 5.42414 9.92471 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 5.05973 10.0773 9.92831 14.8638 11.9796 8.06308 14.6522 15.0909 5.42414 9.92471 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 5.96423 4.08775 4.61596 6.42735 4.67256 7.81263 8.08596 7.58375 7.81466 7.54099 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 8.14831 6.28241 6.46405 13.45 7.96454 9.82043 10.4433 10.1785 5.8463 8.37739 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 8.14831 6.28241 6.46405 11.7017 4.45116 8.22922 10.4433 10.1785 5.8463 9.47237 numMergedOcc 0
