0 mol 28 unq 0 iso 0 dist 9.83168 9.6867 9.54812 7.431 10.4466 6.31089 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.83168 5.13138 7.33943 7.431 10.4466 7.07502 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.27002 9.60216 10.9474 8.11492 8.02162 8.48468 numMergedOcc 0
3 mol 39 unq 0 iso 0 dist 9.81466 8.27298 12.3968 14.3541 20.7057 8.55553 numMergedOcc 0
4 mol 39 unq 1 iso 0 dist 9.81466 8.27298 12.3968 9.43746 15.8008 5.00813 numMergedOcc 0
5 mol 39 unq 2 iso 0 dist 7.38082 8.56111 10.2533 11.9159 14.911 8.55553 numMergedOcc 0
6 mol 39 unq 3 iso 0 dist 7.38082 8.56111 10.2533 10.3308 14.47 5.00813 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.53504 8.0534 10.565 10.3098 13.9682 8.59337 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.53504 8.0534 10.565 6.35914 13.3668 7.66942 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.66342 8.0534 10.0209 10.3098 10.2907 8.59337 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.66342 8.0534 10.0209 6.35914 13.177 7.66942 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 7.21285 8.0534 6.28525 10.3098 10.1296 8.59337 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 7.21285 8.0534 6.28525 6.35914 11.0617 7.66942 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 6.95094 8.0534 5.32605 10.3098 12.855 8.59337 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 6.95094 8.0534 5.32605 6.35914 8.14547 7.66942 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.07096 8.52673 7.8041 10.6622 12.5875 9.31621 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 7.99446 7.27943 10.149 4.52353 11.4253 5.42715 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 7.99446 7.27943 10.149 6.79695 12.4377 9.70575 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 7.21636 7.27943 5.77969 4.52353 8.78397 5.42715 numMergedOcc 0
19 mol 152 unq 3 iso 0 dist 7.21636 7.27943 5.77969 6.79695 12.3356 9.70575 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 5.94075 5.59924 4.77713 4.63914 9.56962 7.48765 numMergedOcc 0
21 mol 209 unq 0 iso 0 dist 8.65539 9.93982 11.3106 14.1041 16.1106 9.90699 numMergedOcc 0
22 mol 209 unq 1 iso 0 dist 7.757 9.9518 9.44664 15.8185 18.6707 9.90699 numMergedOcc 0
23 mol 211 unq 0 iso 0 dist 5.42004 8.80139 10.9253 8.28079 13.5979 9.59546 numMergedOcc 0
24 mol 211 unq 1 iso 0 dist 7.73993 8.80139 6.37019 8.28079 8.13147 9.59546 numMergedOcc 0
25 mol 223 unq 0 iso 0 dist 8.8009 8.99964 5.22191 10.6187 13.3465 8.95054 numMergedOcc 0
26 mol 234 unq 0 iso 0 dist 8.8978 9.2457 4.7189 8.41106 8.33309 6.58003 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 7.98871 9.06496 7.01469 13.9944 11.7725 8.78893 numMergedOcc 0
