0 mol 10 unq 0 iso 0 dist 9.43029 3.92592 9.39486 5.59965 4.99208 6.18431 numMergedOcc 0
1 mol 10 unq 0 iso 1 dist 6.18431 4.99208 9.39486 5.59965 3.92592 9.43029 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.16515 3.904 8.07318 6.25843 4.98822 5.20109 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 5.20109 4.98822 8.07318 6.25843 3.904 9.16515 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.96912 12.358 8.96682 10.3969 5.39199 6.7142 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 6.7142 5.39199 8.96682 10.3969 12.358 9.96912 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 5.22979 4.02746 7.27243 7.14464 9.01474 9.4577 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 9.4577 9.01474 7.27243 7.14464 4.02746 5.22979 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.43127 3.99035 8.64934 9.78384 9.51372 9.77084 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 9.77084 9.51372 8.64934 9.78384 3.99035 7.43127 numMergedOcc 0
10 mol 79 unq 1 iso 0 dist 7.43127 4.53016 8.7515 9.78384 9.51372 6.5551 numMergedOcc 0
11 mol 79 unq 1 iso 1 dist 6.5551 9.51372 8.7515 9.78384 4.53016 7.43127 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 8.06134 10.3457 6.96745 15.1139 10.6938 7.67238 numMergedOcc 0
13 mol 112 unq 0 iso 1 dist 7.67238 10.6938 6.96745 15.1139 10.3457 8.06134 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 5.36587 3.99855 6.96745 10.3696 10.6938 7.67238 numMergedOcc 0
15 mol 112 unq 1 iso 1 dist 7.67238 10.6938 6.96745 10.3696 3.99855 5.36587 numMergedOcc 0
16 mol 112 unq 2 iso 0 dist 6.11407 10.4943 7.31064 7.80873 5.08111 9.26353 numMergedOcc 0
17 mol 112 unq 2 iso 1 dist 9.26353 5.08111 7.31064 7.80873 10.4943 6.11407 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.65731 10.0208 7.92216 6.83404 3.98068 5.92302 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 5.92302 3.98068 7.92216 6.83404 10.0208 6.65731 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.65731 10.0208 7.92216 11.8798 10.1551 5.29898 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 5.29898 10.1551 7.92216 11.8798 10.0208 6.65731 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 8.06308 11.9796 9.92831 11.8933 6.16988 5.99437 numMergedOcc 0
23 mol 181 unq 0 iso 1 dist 5.99437 6.16988 9.92831 11.8933 11.9796 8.06308 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 7.81263 4.67256 4.61596 7.54099 7.81466 7.58375 numMergedOcc 0
25 mol 184 unq 0 iso 1 dist 7.58375 7.81466 4.61596 7.54099 4.67256 7.81263 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 6.94762 5.8463 9.3502 8.37739 3.94409 9.82043 numMergedOcc 0
27 mol 225 unq 0 iso 1 dist 9.82043 3.94409 9.3502 8.37739 5.8463 6.94762 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 6.94762 5.8463 9.3502 9.47237 6.88465 8.22922 numMergedOcc 0
29 mol 225 unq 1 iso 1 dist 8.22922 6.88465 9.3502 9.47237 5.8463 6.94762 numMergedOcc 0
30 mol 225 unq 2 iso 0 dist 9.89167 5.8463 9.34821 8.37739 8.31193 9.82043 numMergedOcc 0
31 mol 225 unq 2 iso 1 dist 9.82043 8.31193 9.34821 8.37739 5.8463 9.89167 numMergedOcc 0
32 mol 225 unq 3 iso 0 dist 9.89167 5.8463 9.34821 9.47237 6.8122 8.22922 numMergedOcc 0
33 mol 225 unq 3 iso 1 dist 8.22922 6.8122 9.34821 9.47237 5.8463 9.89167 numMergedOcc 0
34 mol 225 unq 4 iso 0 dist 7.7086 6.67492 9.3502 10.6612 3.94409 9.82043 numMergedOcc 0
35 mol 225 unq 4 iso 1 dist 9.82043 3.94409 9.3502 10.6612 6.67492 7.7086 numMergedOcc 0
36 mol 225 unq 5 iso 0 dist 7.7086 6.67492 9.3502 11.3252 6.88465 8.22922 numMergedOcc 0
37 mol 225 unq 5 iso 1 dist 8.22922 6.88465 9.3502 11.3252 6.67492 7.7086 numMergedOcc 0
