0 mol 10 unq 0 iso 0 dist 5.59965 6.18431 3.92592 5.83346 9.26127 7.14537 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 5.59965 6.18431 3.92592 4.99208 9.43029 9.39486 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 5.59965 9.43029 4.99208 3.92592 6.18431 9.39486 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 8.60289 5.63735 6.29572 3.76294 10.9282 7.05407 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.25843 9.16515 4.98822 3.904 5.20109 8.07318 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.25843 5.20109 3.904 4.98822 9.16515 8.07318 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 6.25843 5.20109 3.904 5.46578 9.35791 7.44277 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.88938 9.16515 13.4321 3.904 12.506 8.07318 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 7.35861 9.96912 6.64374 12.358 9.78042 8.96682 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 6.56527 6.7142 10.0347 5.39199 9.82888 8.96682 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 7.14464 5.22979 9.01474 4.02746 9.4577 7.27243 numMergedOcc 0
11 mol 30 unq 1 iso 0 dist 7.14464 5.22979 9.01474 5.67846 12.422 8.23784 numMergedOcc 0
12 mol 30 unq 2 iso 0 dist 7.14464 9.4577 4.02746 9.01474 5.22979 7.27243 numMergedOcc 0
13 mol 68 unq 0 iso 0 dist 6.74766 7.98985 12.5617 7.71726 13.7421 5.7369 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 8.95905 7.46095 6.6642 10.1364 15.2551 9.59729 numMergedOcc 0
15 mol 79 unq 0 iso 0 dist 9.78384 9.77084 3.99035 9.51372 7.43127 8.64934 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 9.78384 6.5551 4.53016 9.51372 7.43127 8.7515 numMergedOcc 0
17 mol 79 unq 2 iso 0 dist 9.78384 7.43127 9.51372 3.99035 9.77084 8.64934 numMergedOcc 0
18 mol 79 unq 3 iso 0 dist 9.78384 7.43127 9.51372 4.53016 6.5551 8.7515 numMergedOcc 0
19 mol 79 unq 4 iso 0 dist 8.87742 9.77084 12.2375 9.51372 15.1749 8.64934 numMergedOcc 0
20 mol 79 unq 5 iso 0 dist 8.87742 6.5551 13.1414 9.51372 15.1749 8.7515 numMergedOcc 0
21 mol 79 unq 6 iso 0 dist 4.93468 9.77084 6.69352 9.51372 10.8054 8.64934 numMergedOcc 0
22 mol 79 unq 7 iso 0 dist 4.93468 6.5551 6.0749 9.51372 10.8054 8.7515 numMergedOcc 0
23 mol 92 unq 0 iso 0 dist 9.60622 8.98912 11.9597 3.71113 12.2123 8.89015 numMergedOcc 0
24 mol 92 unq 1 iso 0 dist 9.91054 8.93769 11.9597 4.52323 12.2123 8.89015 numMergedOcc 0
25 mol 112 unq 0 iso 0 dist 7.80873 6.11407 5.08111 10.4943 9.26353 7.31064 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 7.80873 9.26353 10.4943 5.08111 6.11407 7.31064 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 7.59327 9.35533 8.3321 4.28744 9.8591 8.25397 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 6.40575 9.0176 15.0575 6.93712 10.1824 8.62504 numMergedOcc 0
29 mol 141 unq 0 iso 0 dist 9.10042 6.65731 14.0725 10.0208 17.2659 7.92216 numMergedOcc 0
30 mol 141 unq 1 iso 0 dist 9.75059 6.65731 13.1981 10.0208 15.2695 7.92216 numMergedOcc 0
31 mol 141 unq 2 iso 0 dist 6.83404 5.92302 10.0208 3.98068 6.65731 7.92216 numMergedOcc 0
32 mol 141 unq 3 iso 0 dist 6.83404 6.65731 3.98068 10.0208 5.92302 7.92216 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 9.92471 8.06308 5.42414 11.9796 15.0909 9.92831 numMergedOcc 0
34 mol 184 unq 0 iso 0 dist 7.54099 7.58375 4.67256 7.81466 7.81263 4.61596 numMergedOcc 0
35 mol 184 unq 1 iso 0 dist 7.54099 7.81263 7.81466 4.67256 7.58375 4.61596 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 8.37739 9.82043 5.8463 3.94409 6.94762 9.3502 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 8.37739 9.82043 5.8463 8.31193 9.89167 9.34821 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 8.37739 9.82043 5.8463 7.96454 10.1785 6.46405 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 8.37739 6.94762 3.94409 5.8463 9.82043 9.3502 numMergedOcc 0
40 mol 225 unq 4 iso 0 dist 8.37739 9.89167 8.31193 5.8463 9.82043 9.34821 numMergedOcc 0
41 mol 225 unq 5 iso 0 dist 9.47237 8.22922 5.8463 6.88465 6.94762 9.3502 numMergedOcc 0
42 mol 225 unq 6 iso 0 dist 9.47237 8.22922 5.8463 6.8122 9.89167 9.34821 numMergedOcc 0
43 mol 225 unq 7 iso 0 dist 9.47237 8.22922 5.8463 4.45116 10.1785 6.46405 numMergedOcc 0
44 mol 225 unq 8 iso 0 dist 9.47237 6.94762 6.88465 5.8463 8.22922 9.3502 numMergedOcc 0
45 mol 225 unq 9 iso 0 dist 9.47237 9.89167 6.8122 5.8463 8.22922 9.34821 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 8.20644 9.26157 16.0346 6.64795 12.5241 7.16209 numMergedOcc 0
