0 mol 11 unq 0 iso 0 dist 5.25331 3.66215 6.83186 9.09091 6.51674 9.81983 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.4403 3.76025 4.75881 10.8637 8.00615 7.37118 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.61815 8.50202 4.75881 13.4932 8.00615 7.37118 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 7.05327 3.85603 6.38866 9.33027 6.35031 8.0991 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.05327 3.85603 6.38866 7.32707 5.50427 8.80175 numMergedOcc 0
5 mol 34 unq 4 iso 0 dist 7.05327 3.85603 6.38866 7.90574 3.54863 8.61637 numMergedOcc 0
6 mol 34 unq 5 iso 0 dist 9.29284 4.42374 6.38866 8.2946 6.35031 8.0991 numMergedOcc 0
7 mol 34 unq 6 iso 0 dist 9.29284 4.42374 6.38866 9.25346 5.50427 8.80175 numMergedOcc 0
8 mol 34 unq 7 iso 0 dist 9.29284 4.42374 6.38866 11.4519 3.54863 8.61637 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 7.02387 6.14049 5.54472 10.0196 3.50984 6.28603 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 7.02387 8.31625 8.62369 10.0196 3.50984 8.80303 numMergedOcc 0
11 mol 48 unq 2 iso 0 dist 7.02387 10.1271 6.5241 10.0196 3.50984 7.11491 numMergedOcc 0
12 mol 48 unq 3 iso 0 dist 7.03832 5.59994 8.65524 9.56852 10.8889 7.20729 numMergedOcc 0
13 mol 48 unq 4 iso 0 dist 8.44353 4.28224 8.22812 7.34031 11.6319 7.11491 numMergedOcc 0
14 mol 48 unq 5 iso 0 dist 6.11249 4.28224 4.22002 7.34031 5.39812 7.11491 numMergedOcc 0
15 mol 48 unq 6 iso 0 dist 7.86326 4.28224 5.77855 7.34031 8.55482 7.11491 numMergedOcc 0
16 mol 48 unq 7 iso 0 dist 4.74786 7.13338 5.54472 7.34031 3.50984 6.28603 numMergedOcc 0
17 mol 48 unq 8 iso 0 dist 4.74786 8.64653 8.62369 7.34031 3.50984 8.80303 numMergedOcc 0
18 mol 48 unq 9 iso 0 dist 4.74786 4.28224 6.5241 7.34031 3.50984 7.11491 numMergedOcc 0
19 mol 48 unq 10 iso 0 dist 7.16443 5.59994 8.22812 9.56852 13.697 7.20729 numMergedOcc 0
20 mol 48 unq 11 iso 0 dist 7.16443 12.3016 6.5241 17.206 11.505 5.7836 numMergedOcc 0
21 mol 48 unq 12 iso 0 dist 4.53565 7.08546 5.37439 7.281 3.65036 5.73454 numMergedOcc 0
22 mol 48 unq 13 iso 0 dist 4.53565 8.61607 8.3714 7.281 3.65036 8.2012 numMergedOcc 0
23 mol 48 unq 14 iso 0 dist 4.53565 4.12075 6.36817 7.281 3.65036 7.1829 numMergedOcc 0
24 mol 48 unq 15 iso 0 dist 8.53722 4.12075 8.0812 7.281 11.611 7.1829 numMergedOcc 0
25 mol 48 unq 16 iso 0 dist 6.15814 4.12075 4.17933 7.281 5.37655 7.1829 numMergedOcc 0
26 mol 48 unq 17 iso 0 dist 7.70284 4.12075 5.54893 7.281 8.48119 7.1829 numMergedOcc 0
27 mol 48 unq 18 iso 0 dist 7.08628 12.2529 6.36817 17.448 11.5388 5.82264 numMergedOcc 0
28 mol 48 unq 19 iso 0 dist 7.08628 12.2529 6.36817 8.58829 6.34854 8.56365 numMergedOcc 0
29 mol 48 unq 20 iso 0 dist 7.08628 5.98272 8.0812 9.8428 13.357 7.32996 numMergedOcc 0
30 mol 48 unq 21 iso 0 dist 7.08628 5.98272 8.0812 8.58829 6.34854 7.47783 numMergedOcc 0
31 mol 48 unq 22 iso 0 dist 7.08628 7.83821 4.17933 8.58829 6.34854 8.74151 numMergedOcc 0
32 mol 48 unq 23 iso 0 dist 7.08628 5.51708 5.54893 8.58829 6.34854 8.69662 numMergedOcc 0
33 mol 79 unq 0 iso 0 dist 7.90338 4.35906 4.15789 11.031 6.07693 8.84225 numMergedOcc 0
34 mol 79 unq 1 iso 0 dist 7.90338 4.35906 4.15789 7.87237 5.25584 6.72546 numMergedOcc 0
35 mol 79 unq 2 iso 0 dist 5.82384 4.39784 6.20144 5.9249 4.31939 5.79139 numMergedOcc 0
36 mol 79 unq 3 iso 0 dist 5.82384 4.39784 6.20144 9.71811 5.41884 7.63923 numMergedOcc 0
37 mol 79 unq 4 iso 0 dist 7.08462 4.89844 6.20144 7.87237 5.79629 7.38548 numMergedOcc 0
38 mol 79 unq 5 iso 0 dist 7.08462 4.35906 4.808 11.031 10.8556 8.84225 numMergedOcc 0
39 mol 79 unq 6 iso 0 dist 7.08462 4.35906 4.808 7.87237 5.79629 6.72546 numMergedOcc 0
40 mol 79 unq 7 iso 0 dist 7.15907 5.01567 6.20144 9.26568 4.31939 5.79139 numMergedOcc 0
41 mol 79 unq 8 iso 0 dist 7.15907 5.01567 6.20144 8.01743 5.41884 7.63923 numMergedOcc 0
42 mol 85 unq 0 iso 0 dist 5.61151 10.803 6.67137 6.05495 5.22259 8.04853 numMergedOcc 0
43 mol 85 unq 1 iso 0 dist 6.54289 10.803 7.04244 6.05495 7.66499 8.04853 numMergedOcc 0
44 mol 85 unq 2 iso 0 dist 7.52869 9.46256 7.04244 12.216 7.66499 8.04853 numMergedOcc 0
45 mol 85 unq 3 iso 0 dist 9.18945 6.34431 7.04244 10.5858 7.66499 8.04853 numMergedOcc 0
46 mol 111 unq 0 iso 0 dist 7.75479 11.4065 9.34782 20.4983 16.815 9.72371 numMergedOcc 0
47 mol 141 unq 0 iso 0 dist 6.50336 9.08526 4.88514 4.25566 3.80087 4.92382 numMergedOcc 0
48 mol 141 unq 1 iso 0 dist 9.68074 9.53687 5.60448 8.00449 5.16197 9.62774 numMergedOcc 0
49 mol 143 unq 0 iso 0 dist 8.08798 4.19541 4.3855 9.30424 4.5497 7.2932 numMergedOcc 0
50 mol 214 unq 0 iso 0 dist 8.3107 3.92649 8.66082 7.69296 6.28944 5.05626 numMergedOcc 0
51 mol 214 unq 1 iso 0 dist 8.3107 11.4548 7.96338 7.69296 6.28944 8.41013 numMergedOcc 0
52 mol 232 unq 0 iso 0 dist 8.49913 9.20175 9.64861 15.5694 16.2332 9.89191 numMergedOcc 0
53 mol 254 unq 0 iso 0 dist 7.23916 6.19835 7.85841 13.3411 11.0708 9.31434 numMergedOcc 0
54 mol 254 unq 1 iso 0 dist 6.12653 6.19835 9.20109 13.3411 13.4911 9.31434 numMergedOcc 0
55 mol 254 unq 2 iso 0 dist 6.59989 5.67608 9.20109 8.94909 11.9238 9.50951 numMergedOcc 0
56 mol 256 unq 0 iso 0 dist 5.85613 3.89364 5.58222 7.48269 5.59732 4.36333 numMergedOcc 0
57 mol 256 unq 1 iso 0 dist 5.85613 3.89364 5.58222 6.71249 3.96807 6.96483 numMergedOcc 0
58 mol 260 unq 0 iso 0 dist 8.8385 11.4575 8.62655 14.0908 7.28821 6.49413 numMergedOcc 0
59 mol 287 unq 0 iso 0 dist 5.50067 8.99193 4.68668 5.59555 5.39801 9.25759 numMergedOcc 0
60 mol 288 unq 0 iso 0 dist 5.50067 8.99193 4.68668 5.59555 5.39801 9.25759 numMergedOcc 0
61 mol 289 unq 0 iso 0 dist 5.50067 8.99193 4.68668 5.59555 5.39801 9.25759 numMergedOcc 0
