QM region input


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ATOM     31  2H2   RE1     1       2.330   4.746   7.641  1.00  0.00           H
ATOM     32  2H3   RE1     1       8.183   0.651   7.641  1.00  0.00           H
ATOM     33  2H4   RE1     1       9.378   7.538   3.549  1.00  0.00           H
ATOM     34  2H5   RE1     1       3.524   3.443   3.549  1.00  0.00           H
ATOM     35  2H6   RE1     1       8.179   4.638   0.651  1.00  0.00           H
ATOM     36  2H7   RE1     1       2.325   0.543   0.651  1.00  0.00           H
ATOM     37  2H8   RE1     1       3.529   7.646   4.744  1.00  0.00           H
ATOM     38  2H9   RE1     1       9.383   3.552   4.744  1.00  0.00           H
ATOM     39  3H0   RE2     2       8.179   3.552   7.533  1.00  0.00           H
ATOM     40  3H1   RE1     1       2.325   7.646   7.533  1.00  0.00           H
ATOM     41  3H2   RE1     1       3.529   0.543   3.441  1.00  0.00           H
ATOM     42  3H3   RE1     1       9.383   4.638   3.441  1.00  0.00           H
ATOM     43  3H4   RE1     1       3.529   3.552   7.533  1.00  0.00           H
ATOM     44  3H5   RE1     1       9.383   7.646   7.533  1.00  0.00           H
ATOM     45  3H6   RE1     1       8.179   0.543   3.441  1.00  0.00           H
ATOM     46  3H7   RE1     1       2.325   4.638   3.441  1.00  0.00           H
ATOM     47  3H8   RE1     1       3.529   4.638   0.651  1.00  0.00           H
ATOM     48  3H9   RE1     1       9.383   0.543   0.651  1.00  0.00           H
ATOM     49  4H0   RE1     1       8.179   7.646   4.744  1.00  0.00           H
ATOM     50  4H1   RE1     1       2.325   3.552   4.744  1.00  0.00           H
ATOM     51  2C8   RE1     1       0.000   5.975   1.885  1.00  0.00           C
ATOM     52  2C9   RE1     1      11.708   5.975   1.885  1.00  0.00           C
ATOM     53  3C0   RE1     1       5.854   1.880   1.885  1.00  0.00           C
ATOM     54  3C1   RE1     1       0.000   6.309   5.977  1.00  0.00           C
ATOM     55  3C2   RE1     1      11.708   6.309   5.977  1.00  0.00           C
ATOM     56  3C3   RE1     1       5.854   2.214   5.977  1.00  0.00           C
ATOM     57  3C4   RE1     1       0.000   2.214   6.299  1.00  0.00           C
ATOM     58  3C5   RE1     1      11.708   2.214   6.299  1.00  0.00           C
ATOM     59  3C6   RE1     1       5.854   6.309   6.299  1.00  0.00           C
ATOM     60  3C7   RE1     1       0.000   1.880   2.207  1.00  0.00           C