0 mol 68 unq 0 iso 0 dist 7.51631 4.60844 8.19932 8.24064 7.7485 7.98805 6.09085 7.18877 10.0169 8.71074 numMergedOcc 0
1 mol 107 unq 0 iso 0 dist 7.09988 7.15039 5.31375 7.96442 8.88124 9.65216 10.9355 5.88785 9.87439 7.91251 numMergedOcc 0
2 mol 107 unq 1 iso 0 dist 7.09988 7.15039 5.31375 14.3565 8.19484 8.32169 10.9355 5.88785 9.87439 9.09262 numMergedOcc 0
3 mol 107 unq 2 iso 0 dist 7.09988 12.4206 6.49371 7.96442 8.88124 10.4294 10.9355 5.88785 6.11492 7.91251 numMergedOcc 0
4 mol 107 unq 3 iso 0 dist 7.09988 12.4206 6.49371 14.3565 8.19484 3.40943 10.9355 5.88785 6.11492 9.09262 numMergedOcc 0
5 mol 107 unq 4 iso 0 dist 7.73898 4.80846 5.31375 6.37998 8.88124 9.65216 10.4236 5.88785 9.87439 7.91251 numMergedOcc 0
6 mol 107 unq 5 iso 0 dist 7.73898 4.80846 5.31375 11.5335 8.19484 8.32169 10.4236 5.88785 9.87439 9.09262 numMergedOcc 0
7 mol 107 unq 6 iso 0 dist 7.73898 9.55354 6.49371 6.37998 8.88124 10.4294 10.4236 5.88785 6.11492 7.91251 numMergedOcc 0
8 mol 107 unq 7 iso 0 dist 7.73898 9.55354 6.49371 11.5335 8.19484 3.40943 10.4236 5.88785 6.11492 9.09262 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 8.83566 12.2757 9.87354 6.28158 6.55227 6.51576 8.71812 3.43966 10.1658 7.54274 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.85177 5.68862 7.65903 5.73931 5.10589 3.18152 12.8818 9.60496 11.3821 8.6961 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 8.88729 5.68862 5.97653 5.73931 4.63336 3.18152 12.8818 10.5251 11.3821 8.6961 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 7.07933 6.43144 9.06172 12.9917 6.96715 13.5169 8.89822 3.59996 10.2894 4.11374 numMergedOcc 0
13 mol 169 unq 3 iso 0 dist 7.07933 6.37039 8.93091 12.9917 6.96715 14.673 8.89822 3.59996 11.3115 4.11374 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.47283 5.10199 7.98864 10.816 9.93489 5.80328 6.51936 4.05102 5.00369 7.33774 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.47283 5.10199 7.98864 4.27546 7.64057 3.68217 6.51936 4.05102 5.00369 6.39122 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.93054 5.055 7.66702 4.26898 7.42759 3.64285 6.28826 4.16963 4.85332 6.50654 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 5.93983 7.67857 7.73438 8.32005 5.88958 10.5542 7.12723 3.14843 10.4537 4.27826 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 5.93983 7.67857 7.73438 7.07384 7.78121 12.5361 7.12723 3.14843 10.4537 5.82074 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 11.1329 5.55422 10.9383 8.32982 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 11.1329 5.55422 10.9383 8.32982 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.27196 4.38471 6.22311 4.69872 6.24487 5.96434 11.1329 5.55422 10.9383 8.32982 numMergedOcc 0
