0 mol 11 unq 0 iso 0 dist 9.76233 8.86982 9.10105 11.8533 6.83186 6.37744 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.76233 10.1793 9.08001 11.8533 6.83186 9.94056 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.31487 9.03058 7.41497 6.82151 7.08766 3.55555 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 7.423 7.73529 7.41497 4.3475 7.08766 3.55555 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 7.07851 9.03058 5.27732 6.82151 4.82199 3.55555 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 5.89257 7.73529 5.27732 4.3475 4.82199 3.55555 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.32472 4.63733 8.05406 4.61111 4.75881 6.15892 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 7.61514 9.59233 8.09327 10.8634 6.67137 5.94192 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 7.61514 9.59233 8.09327 15.0522 9.78707 16.1956 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 8.21116 9.59233 6.7686 13.6965 7.07839 7.16843 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 8.21116 9.59233 6.7686 12.6759 7.91193 6.78342 numMergedOcc 0
11 mol 85 unq 4 iso 0 dist 8.21116 9.59233 6.7686 10.513 9.09711 4.24179 numMergedOcc 0
12 mol 85 unq 5 iso 0 dist 8.21116 9.59233 6.7686 10.8634 7.04244 5.94192 numMergedOcc 0
13 mol 85 unq 6 iso 0 dist 8.21116 9.59233 6.7686 15.0522 9.63449 16.1956 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.91023 4.43351 8.85795 5.90092 6.5816 5.22889 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 6.38269 9.31557 7.3165 10.3017 5.31126 5.6697 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 6.38269 9.31557 7.3165 10.3632 4.49669 7.98338 numMergedOcc 0
17 mol 113 unq 2 iso 0 dist 6.38269 9.31557 7.3165 9.86085 6.00221 7.63386 numMergedOcc 0
18 mol 113 unq 3 iso 0 dist 6.38269 13.4428 7.47051 10.3017 5.31126 3.88165 numMergedOcc 0
19 mol 113 unq 4 iso 0 dist 6.38269 13.4428 7.47051 10.3632 4.49669 5.99577 numMergedOcc 0
20 mol 113 unq 5 iso 0 dist 6.38269 13.4428 7.47051 9.86085 6.00221 9.32971 numMergedOcc 0
21 mol 113 unq 6 iso 0 dist 7.11196 13.4428 8.4272 10.3017 7.16619 3.88165 numMergedOcc 0
22 mol 113 unq 7 iso 0 dist 7.11196 13.4428 8.4272 10.3632 5.88896 5.99577 numMergedOcc 0
23 mol 117 unq 0 iso 0 dist 5.56913 4.2038 5.52204 11.3762 9.02015 7.49865 numMergedOcc 0
24 mol 169 unq 0 iso 0 dist 6.18165 11.2327 7.09378 6.5732 5.10589 5.79743 numMergedOcc 0
25 mol 169 unq 1 iso 0 dist 6.18165 11.2327 7.09378 4.14139 4.63336 7.98467 numMergedOcc 0
26 mol 169 unq 2 iso 0 dist 6.18165 11.2327 7.09378 7.73206 6.10715 7.33201 numMergedOcc 0
27 mol 169 unq 3 iso 0 dist 6.18165 5.0573 7.57745 6.5732 5.10589 3.96954 numMergedOcc 0
28 mol 169 unq 4 iso 0 dist 6.18165 5.0573 7.57745 4.14139 4.63336 5.64761 numMergedOcc 0
29 mol 169 unq 5 iso 0 dist 6.18165 5.0573 7.57745 7.73206 6.10715 8.90181 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 7.34927 10.9811 6.02362 9.69757 7.98956 13.6397 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 7.34927 10.9811 6.02362 10.2113 5.86185 11.0951 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 7.34927 10.9811 6.02362 8.92993 6.79748 3.61982 numMergedOcc 0
33 mol 277 unq 3 iso 0 dist 7.54315 10.0896 6.02362 7.55695 7.98956 13.6397 numMergedOcc 0
34 mol 277 unq 4 iso 0 dist 7.54315 10.0896 6.02362 6.26644 5.86185 11.0951 numMergedOcc 0
35 mol 277 unq 5 iso 0 dist 7.54315 10.0896 6.02362 10.4453 6.79748 3.61982 numMergedOcc 0
36 mol 277 unq 6 iso 0 dist 7.88615 8.11734 3.99622 10.6003 6.53598 3.61982 numMergedOcc 0
37 mol 281 unq 0 iso 0 dist 8.78416 10.7518 6.16842 16.2332 7.90368 11.7281 numMergedOcc 0
38 mol 281 unq 1 iso 0 dist 8.78416 10.7518 6.16842 10.564 6.69267 3.52633 numMergedOcc 0
39 mol 281 unq 2 iso 0 dist 9.22428 10.7518 4.16004 9.75261 5.33372 7.32876 numMergedOcc 0
40 mol 281 unq 3 iso 0 dist 9.22428 10.7518 4.16004 10.564 6.56886 3.52633 numMergedOcc 0
41 mol 281 unq 4 iso 0 dist 7.82358 11.6332 6.16842 12.9503 7.90368 11.7281 numMergedOcc 0
42 mol 281 unq 5 iso 0 dist 7.82358 11.6332 6.16842 9.45924 6.69267 3.52633 numMergedOcc 0
43 mol 281 unq 6 iso 0 dist 7.95687 8.09217 4.16004 3.73592 5.33372 7.32876 numMergedOcc 0
44 mol 281 unq 7 iso 0 dist 7.95687 8.09217 4.16004 10.8606 6.56886 3.52633 numMergedOcc 0
