0 mol 11 unq 0 iso 0 dist 5.43238 4.79838 3.66215 3.56133 5.25331 6.83186 numMergedOcc 0
1 mol 11 unq 0 iso 1 dist 5.43238 5.25331 3.56133 3.66215 4.79838 6.83186 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.71914 9.29284 11.418 4.42374 9.25424 6.38866 numMergedOcc 0
3 mol 34 unq 0 iso 1 dist 7.71914 9.25424 4.42374 11.418 9.29284 6.38866 numMergedOcc 0
4 mol 34 unq 1 iso 0 dist 7.71914 9.29284 11.418 3.69607 7.69101 10.7075 numMergedOcc 0
5 mol 34 unq 1 iso 1 dist 7.71914 7.69101 3.69607 11.418 9.29284 10.7075 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 9.54797 7.03832 5.67204 5.59994 8.44353 8.65524 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 9.54797 8.44353 5.59994 5.67204 7.03832 8.65524 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.54797 7.03832 5.67204 7.78417 6.11249 8.96151 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 9.54797 6.11249 7.78417 5.67204 7.03832 8.96151 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 9.54797 7.03832 5.67204 5.47187 7.86326 9.02535 numMergedOcc 0
11 mol 48 unq 2 iso 1 dist 9.54797 7.86326 5.47187 5.67204 7.03832 9.02535 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 9.54797 7.03832 5.67204 12.3016 4.74786 10.2447 numMergedOcc 0
13 mol 48 unq 3 iso 1 dist 9.54797 4.74786 12.3016 5.67204 7.03832 10.2447 numMergedOcc 0
14 mol 48 unq 4 iso 0 dist 9.54797 7.16443 4.28224 5.59994 8.44353 8.22812 numMergedOcc 0
15 mol 48 unq 4 iso 1 dist 9.54797 8.44353 5.59994 4.28224 7.16443 8.22812 numMergedOcc 0
16 mol 48 unq 5 iso 0 dist 9.54797 7.16443 4.28224 7.78417 6.11249 4.22002 numMergedOcc 0
17 mol 48 unq 5 iso 1 dist 9.54797 6.11249 7.78417 4.28224 7.16443 4.22002 numMergedOcc 0
18 mol 48 unq 6 iso 0 dist 9.54797 7.16443 4.28224 5.47187 7.86326 5.77855 numMergedOcc 0
19 mol 48 unq 6 iso 1 dist 9.54797 7.86326 5.47187 4.28224 7.16443 5.77855 numMergedOcc 0
20 mol 48 unq 7 iso 0 dist 9.54797 7.16443 4.28224 12.3016 4.74786 6.5241 numMergedOcc 0
21 mol 48 unq 7 iso 1 dist 9.54797 4.74786 12.3016 4.28224 7.16443 6.5241 numMergedOcc 0
22 mol 48 unq 8 iso 0 dist 9.76285 7.08628 4.12075 12.2529 4.53565 6.36817 numMergedOcc 0
23 mol 48 unq 8 iso 1 dist 9.76285 4.53565 12.2529 4.12075 7.08628 6.36817 numMergedOcc 0
24 mol 48 unq 9 iso 0 dist 9.76285 7.08628 4.12075 5.98272 8.53722 8.0812 numMergedOcc 0
25 mol 48 unq 9 iso 1 dist 9.76285 8.53722 5.98272 4.12075 7.08628 8.0812 numMergedOcc 0
26 mol 48 unq 10 iso 0 dist 9.76285 7.08628 4.12075 7.83821 6.15814 4.17933 numMergedOcc 0
27 mol 48 unq 10 iso 1 dist 9.76285 6.15814 7.83821 4.12075 7.08628 4.17933 numMergedOcc 0
28 mol 48 unq 11 iso 0 dist 9.76285 7.08628 4.12075 5.51708 7.70284 5.54893 numMergedOcc 0
29 mol 48 unq 11 iso 1 dist 9.76285 7.70284 5.51708 4.12075 7.08628 5.54893 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 6.3244 7.79077 6.92548 10.1788 9.70065 15.9393 numMergedOcc 0
31 mol 127 unq 0 iso 1 dist 6.3244 9.70065 10.1788 6.92548 7.79077 15.9393 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 6.2135 6.40751 5.72856 5.09294 9.75587 9.31602 numMergedOcc 0
33 mol 141 unq 0 iso 1 dist 6.2135 9.75587 5.09294 5.72856 6.40751 9.31602 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 5.89018 7.76863 6.68247 3.99343 4.51124 8.32259 numMergedOcc 0
35 mol 204 unq 0 iso 1 dist 5.89018 4.51124 3.99343 6.68247 7.76863 8.32259 numMergedOcc 0
36 mol 204 unq 1 iso 0 dist 5.89018 7.76863 6.68247 11.4601 8.41517 8.54737 numMergedOcc 0
37 mol 204 unq 1 iso 1 dist 5.89018 8.41517 11.4601 6.68247 7.76863 8.54737 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 8.57853 9.39609 4.36581 13.6229 8.5244 12.21 numMergedOcc 0
39 mol 218 unq 0 iso 1 dist 8.57853 8.5244 13.6229 4.36581 9.39609 12.21 numMergedOcc 0
40 mol 254 unq 0 iso 0 dist 6.03988 7.23916 4.84855 6.19835 6.59989 7.85841 numMergedOcc 0
41 mol 254 unq 0 iso 1 dist 6.03988 6.59989 6.19835 4.84855 7.23916 7.85841 numMergedOcc 0
42 mol 254 unq 1 iso 0 dist 6.03988 6.12653 5.67608 6.19835 6.59989 9.20109 numMergedOcc 0
43 mol 254 unq 1 iso 1 dist 6.03988 6.59989 6.19835 5.67608 6.12653 9.20109 numMergedOcc 0
44 mol 282 unq 0 iso 0 dist 6.73692 8.6262 3.617 3.70701 9.08606 11.5473 numMergedOcc 0
45 mol 282 unq 0 iso 1 dist 6.73692 9.08606 3.70701 3.617 8.6262 11.5473 numMergedOcc 0
46 mol 286 unq 0 iso 0 dist 8.81794 9.81574 13.7624 3.74137 6.44288 12.7554 numMergedOcc 0
47 mol 286 unq 0 iso 1 dist 8.81794 6.44288 3.74137 13.7624 9.81574 12.7554 numMergedOcc 0
48 mol 286 unq 1 iso 0 dist 8.81794 9.81574 13.7624 6.00883 9.02164 15.6367 numMergedOcc 0
49 mol 286 unq 1 iso 1 dist 8.81794 9.02164 6.00883 13.7624 9.81574 15.6367 numMergedOcc 0
