0 mol 14 unq 0 iso 0 dist 8.13983 3.77264 6.45858 5.06934 8.91266 6.35274 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 6.45858 3.77264 8.13983 6.35274 8.91266 5.06934 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.04256 10.9344 7.51075 5.00567 6.87176 12.5342 numMergedOcc 0
3 mol 68 unq 0 iso 1 dist 7.51075 10.9344 8.04256 12.5342 6.87176 5.00567 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 8.04256 10.9344 7.51075 5.33771 5.57389 9.21957 numMergedOcc 0
5 mol 68 unq 1 iso 1 dist 7.51075 10.9344 8.04256 9.21957 5.57389 5.33771 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 4.98864 5.11161 7.95871 9.35695 9.56867 11.703 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 7.95871 5.11161 4.98864 11.703 9.56867 9.35695 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 8.14096 11.1234 8.43038 11.1988 8.58946 5.44954 numMergedOcc 0
9 mol 167 unq 0 iso 1 dist 8.43038 11.1234 8.14096 5.44954 8.58946 11.1988 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 8.14096 13.0523 9.87966 11.1988 8.58946 9.15105 numMergedOcc 0
11 mol 167 unq 1 iso 1 dist 9.87966 13.0523 8.14096 9.15105 8.58946 11.1988 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 8.43038 3.81938 9.87966 5.44954 8.58946 9.15105 numMergedOcc 0
13 mol 167 unq 1 iso 1 dist 9.87966 3.81938 8.43038 9.15105 8.58946 5.44954 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 9.878 6.40496 9.21149 14.5353 9.59096 9.5349 numMergedOcc 0
15 mol 185 unq 0 iso 1 dist 9.21149 6.40496 9.878 9.5349 9.59096 14.5353 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.73892 5.6308 8.46319 8.43876 5.79186 10.4685 numMergedOcc 0
17 mol 206 unq 0 iso 1 dist 8.46319 5.6308 9.73892 10.4685 5.79186 8.43876 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 9.73892 8.70851 9.11298 8.43876 5.79186 12.6603 numMergedOcc 0
19 mol 206 unq 1 iso 1 dist 9.11298 8.70851 9.73892 12.6603 5.79186 8.43876 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 8.46319 3.85697 9.11298 10.4685 5.79186 12.6603 numMergedOcc 0
21 mol 206 unq 1 iso 1 dist 9.11298 3.85697 8.46319 12.6603 5.79186 10.4685 numMergedOcc 0
22 mol 206 unq 2 iso 0 dist 9.36079 3.85697 7.42904 14.2215 8.73396 11.233 numMergedOcc 0
23 mol 206 unq 2 iso 1 dist 7.42904 3.85697 9.36079 11.233 8.73396 14.2215 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 5.87223 9.449 8.062 10.1355 7.87125 7.5418 numMergedOcc 0
25 mol 212 unq 0 iso 1 dist 8.062 9.449 5.87223 7.5418 7.87125 10.1355 numMergedOcc 0
26 mol 212 unq 1 iso 0 dist 5.87223 5.23375 8.70011 10.1355 7.87125 11.1789 numMergedOcc 0
27 mol 212 unq 1 iso 1 dist 8.70011 5.23375 5.87223 11.1789 7.87125 10.1355 numMergedOcc 0
28 mol 212 unq 1 iso 0 dist 8.062 7.17541 8.70011 7.5418 7.87125 11.1789 numMergedOcc 0
29 mol 212 unq 1 iso 1 dist 8.70011 7.17541 8.062 11.1789 7.87125 7.5418 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 9.51764 13.4632 5.36829 18.2005 9.40003 4.87713 numMergedOcc 0
31 mol 214 unq 0 iso 1 dist 5.36829 13.4632 9.51764 4.87713 9.40003 18.2005 numMergedOcc 0
32 mol 214 unq 1 iso 0 dist 9.51764 13.4632 5.36829 4.74203 8.68385 13.4762 numMergedOcc 0
33 mol 214 unq 1 iso 1 dist 5.36829 13.4632 9.51764 13.4762 8.68385 4.74203 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.94315 5.00891 8.59074 15.8036 7.98022 12.1988 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 8.59074 5.00891 9.94315 12.1988 7.98022 15.8036 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 9.94315 10.4116 6.2365 15.8036 7.98022 6.12122 numMergedOcc 0
37 mol 238 unq 1 iso 1 dist 6.2365 10.4116 9.94315 6.12122 7.98022 15.8036 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 8.59074 6.21773 6.2365 12.1988 7.98022 6.12122 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 6.2365 6.21773 8.59074 6.12122 7.98022 12.1988 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 8.40773 10.5872 9.18476 4.84498 6.40592 6.70277 numMergedOcc 0
41 mol 241 unq 0 iso 1 dist 9.18476 10.5872 8.40773 6.70277 6.40592 4.84498 numMergedOcc 0
42 mol 253 unq 0 iso 0 dist 5.89502 7.05365 7.15815 7.60327 8.53729 13.127 numMergedOcc 0
43 mol 253 unq 0 iso 1 dist 7.15815 7.05365 5.89502 13.127 8.53729 7.60327 numMergedOcc 0
44 mol 253 unq 1 iso 0 dist 5.89502 7.05365 7.15815 9.90493 8.07341 14.7487 numMergedOcc 0
45 mol 253 unq 1 iso 1 dist 7.15815 7.05365 5.89502 14.7487 8.07341 9.90493 numMergedOcc 0
