0 mol 11 unq 0 iso 0 dist 9.09091 5.25331 6.51674 3.66215 9.81983 6.83186 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.22361 6.99742 6.36636 12.6238 9.82851 10.2035 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.33027 9.26362 9.87332 3.85603 8.0991 11.1239 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.33027 9.26362 9.87332 7.03719 9.95093 15.2009 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.33027 7.05327 6.35031 3.85603 8.0991 6.38866 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 9.33027 7.05327 6.35031 7.03719 9.95093 10.7075 numMergedOcc 0
6 mol 34 unq 4 iso 0 dist 8.2946 9.29284 6.35031 4.42374 8.0991 6.38866 numMergedOcc 0
7 mol 34 unq 5 iso 0 dist 8.2946 9.29284 6.35031 3.69607 9.95093 10.7075 numMergedOcc 0
8 mol 34 unq 6 iso 0 dist 7.32707 9.26362 3.9873 3.85603 8.80175 11.1239 numMergedOcc 0
9 mol 34 unq 7 iso 0 dist 7.32707 7.05327 5.50427 3.85603 8.80175 6.38866 numMergedOcc 0
10 mol 34 unq 8 iso 0 dist 9.25346 9.29284 5.50427 4.42374 8.80175 6.38866 numMergedOcc 0
11 mol 34 unq 9 iso 0 dist 7.90574 9.26362 4.5357 3.85603 8.61637 11.1239 numMergedOcc 0
12 mol 34 unq 10 iso 0 dist 7.90574 7.05327 3.54863 3.85603 8.61637 6.38866 numMergedOcc 0
13 mol 48 unq 0 iso 0 dist 7.34031 8.44353 11.6319 7.13338 6.28603 14.8981 numMergedOcc 0
14 mol 48 unq 1 iso 0 dist 7.34031 8.44353 11.6319 8.64653 8.80303 16.5858 numMergedOcc 0
15 mol 48 unq 2 iso 0 dist 7.34031 8.44353 11.6319 4.28224 7.11491 8.22812 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 7.34031 6.11249 5.39812 7.13338 6.28603 9.83205 numMergedOcc 0
17 mol 48 unq 4 iso 0 dist 7.34031 6.11249 5.39812 8.64653 8.80303 11.444 numMergedOcc 0
18 mol 48 unq 5 iso 0 dist 7.34031 6.11249 5.39812 4.28224 7.11491 4.22002 numMergedOcc 0
19 mol 48 unq 6 iso 0 dist 7.34031 7.86326 8.55482 7.13338 6.28603 12.8664 numMergedOcc 0
20 mol 48 unq 7 iso 0 dist 7.34031 7.86326 8.55482 8.64653 8.80303 14.2734 numMergedOcc 0
21 mol 48 unq 8 iso 0 dist 7.34031 7.86326 8.55482 4.28224 7.11491 5.77855 numMergedOcc 0
22 mol 48 unq 9 iso 0 dist 7.34031 4.74786 3.50984 7.13338 6.28603 5.54472 numMergedOcc 0
23 mol 48 unq 10 iso 0 dist 7.34031 4.74786 3.50984 8.64653 8.80303 8.62369 numMergedOcc 0
24 mol 48 unq 11 iso 0 dist 7.34031 4.74786 3.50984 4.28224 7.11491 6.5241 numMergedOcc 0
25 mol 48 unq 12 iso 0 dist 8.58829 7.08628 6.34854 12.2529 8.56365 6.36817 numMergedOcc 0
26 mol 48 unq 13 iso 0 dist 8.58829 7.08628 6.34854 5.98272 7.47783 8.0812 numMergedOcc 0
27 mol 48 unq 14 iso 0 dist 8.58829 7.08628 6.34854 7.83821 8.74151 4.17933 numMergedOcc 0
28 mol 48 unq 15 iso 0 dist 8.58829 7.08628 6.34854 5.51708 8.69662 5.54893 numMergedOcc 0
29 mol 48 unq 16 iso 0 dist 7.281 4.53565 3.65036 7.08546 5.73454 5.37439 numMergedOcc 0
30 mol 48 unq 17 iso 0 dist 7.281 4.53565 3.65036 8.61607 8.2012 8.3714 numMergedOcc 0
31 mol 48 unq 18 iso 0 dist 7.281 4.53565 3.65036 4.12075 7.1829 6.36817 numMergedOcc 0
32 mol 48 unq 19 iso 0 dist 7.281 8.53722 11.611 7.08546 5.73454 14.7286 numMergedOcc 0
33 mol 48 unq 20 iso 0 dist 7.281 8.53722 11.611 8.61607 8.2012 16.5312 numMergedOcc 0
34 mol 48 unq 21 iso 0 dist 7.281 8.53722 11.611 4.12075 7.1829 8.0812 numMergedOcc 0
35 mol 48 unq 22 iso 0 dist 7.281 6.15814 5.37655 7.08546 5.73454 9.47823 numMergedOcc 0
36 mol 48 unq 23 iso 0 dist 7.281 6.15814 5.37655 8.61607 8.2012 11.095 numMergedOcc 0
37 mol 48 unq 24 iso 0 dist 7.281 6.15814 5.37655 4.12075 7.1829 4.17933 numMergedOcc 0
38 mol 48 unq 25 iso 0 dist 7.281 7.70284 8.48119 7.08546 5.73454 12.439 numMergedOcc 0
39 mol 48 unq 26 iso 0 dist 7.281 7.70284 8.48119 8.61607 8.2012 13.9254 numMergedOcc 0
40 mol 48 unq 27 iso 0 dist 7.281 7.70284 8.48119 4.12075 7.1829 5.54893 numMergedOcc 0
41 mol 58 unq 0 iso 0 dist 7.6481 8.55712 10.7828 10.5052 6.41008 16.5305 numMergedOcc 0
42 mol 79 unq 0 iso 0 dist 9.63599 9.11491 5.84075 12.7451 7.56495 12.5398 numMergedOcc 0
43 mol 79 unq 1 iso 0 dist 9.63599 9.11491 5.84075 13.0682 7.63923 10.5441 numMergedOcc 0
44 mol 79 unq 2 iso 0 dist 9.63599 9.11491 5.84075 6.2688 8.23095 10.8758 numMergedOcc 0
45 mol 79 unq 3 iso 0 dist 5.9249 5.82384 4.31939 4.39784 5.79139 6.20144 numMergedOcc 0
46 mol 79 unq 4 iso 0 dist 7.87237 7.90338 5.25584 8.42733 8.33791 12.5398 numMergedOcc 0
47 mol 79 unq 5 iso 0 dist 7.87237 7.90338 5.25584 4.89844 7.38548 9.56766 numMergedOcc 0
48 mol 79 unq 6 iso 0 dist 7.87237 7.90338 5.25584 6.58977 8.2992 10.5782 numMergedOcc 0
49 mol 79 unq 7 iso 0 dist 7.87237 7.90338 5.25584 4.35906 6.72546 4.15789 numMergedOcc 0
50 mol 79 unq 8 iso 0 dist 7.87237 7.08462 5.79629 8.42733 8.33791 10.5441 numMergedOcc 0
51 mol 79 unq 9 iso 0 dist 7.87237 7.08462 5.79629 4.89844 7.38548 6.20144 numMergedOcc 0
52 mol 79 unq 10 iso 0 dist 7.87237 7.08462 5.79629 6.58977 8.2992 11.4924 numMergedOcc 0
53 mol 79 unq 11 iso 0 dist 7.87237 7.08462 5.79629 4.35906 6.72546 4.808 numMergedOcc 0
54 mol 79 unq 12 iso 0 dist 8.01743 7.15907 5.41884 7.82927 7.56495 9.56766 numMergedOcc 0
55 mol 79 unq 13 iso 0 dist 8.01743 7.15907 5.41884 5.01567 7.63923 6.20144 numMergedOcc 0
56 mol 79 unq 14 iso 0 dist 8.01743 7.15907 5.41884 6.34664 8.23095 11.082 numMergedOcc 0
57 mol 85 unq 0 iso 0 dist 6.05495 5.61151 5.22259 10.803 8.04853 6.67137 numMergedOcc 0
58 mol 85 unq 1 iso 0 dist 6.05495 5.61151 5.22259 7.59464 6.46549 8.49871 numMergedOcc 0
59 mol 85 unq 2 iso 0 dist 6.05495 6.54289 7.66499 10.803 8.04853 7.04244 numMergedOcc 0
60 mol 85 unq 3 iso 0 dist 6.05495 6.54289 7.66499 7.59464 6.46549 9.59497 numMergedOcc 0
61 mol 141 unq 0 iso 0 dist 4.25566 6.50336 3.80087 9.08526 4.92382 4.88514 numMergedOcc 0
62 mol 141 unq 1 iso 0 dist 7.31037 6.50336 3.80763 8.16657 8.40695 10.3516 numMergedOcc 0
63 mol 141 unq 2 iso 0 dist 7.31037 6.50336 3.80763 11.0792 9.35867 12.6128 numMergedOcc 0
64 mol 141 unq 3 iso 0 dist 8.00449 9.68074 5.16197 9.53687 9.62774 5.60448 numMergedOcc 0
65 mol 143 unq 0 iso 0 dist 9.30424 8.08798 4.5497 4.19541 7.2932 4.3855 numMergedOcc 0
66 mol 214 unq 0 iso 0 dist 7.69296 8.3107 6.28944 3.92649 5.05626 8.66082 numMergedOcc 0
67 mol 214 unq 1 iso 0 dist 7.69296 8.3107 6.28944 11.4548 8.41013 7.96338 numMergedOcc 0
68 mol 254 unq 0 iso 0 dist 8.94909 6.59989 11.9238 5.67608 9.50951 9.20109 numMergedOcc 0
69 mol 256 unq 0 iso 0 dist 7.48269 5.85613 5.59732 3.89364 4.36333 5.58222 numMergedOcc 0
70 mol 256 unq 1 iso 0 dist 6.71249 5.85613 3.96807 3.89364 6.96483 5.58222 numMergedOcc 0
71 mol 256 unq 2 iso 0 dist 9.18903 5.85613 11.141 8.80744 8.08629 11.8183 numMergedOcc 0
72 mol 287 unq 0 iso 0 dist 5.59555 7.77225 3.96271 8.99193 9.25759 12.9723 numMergedOcc 0
73 mol 287 unq 1 iso 0 dist 5.59555 5.50067 5.39801 8.99193 9.25759 4.68668 numMergedOcc 0
74 mol 288 unq 0 iso 0 dist 5.59555 7.77225 3.96271 8.99193 9.25759 12.9723 numMergedOcc 0
75 mol 288 unq 1 iso 0 dist 5.59555 5.50067 5.39801 8.99193 9.25759 4.68668 numMergedOcc 0
76 mol 289 unq 0 iso 0 dist 5.59555 7.77225 3.96271 8.99193 9.25759 12.9723 numMergedOcc 0
77 mol 289 unq 1 iso 0 dist 5.59555 5.50067 5.39801 8.99193 9.25759 4.68668 numMergedOcc 0
78 mol 292 unq 0 iso 0 dist 5.7131 3.93401 4.30125 11.1017 9.373 12.6751 numMergedOcc 0
