QM region input


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ATOM     61  3C8   RE1     1      11.708   1.880   2.207  1.00  0.00           C
ATOM     62  3C9   RE1     1       5.854   5.975   2.207  1.00  0.00           C
ATOM     63  4H2   RE1     1       0.000   4.962   1.631  1.00  0.00           H
ATOM     64  4H3   RE1     1      11.708   4.962   1.631  1.00  0.00           H
ATOM     65  4H4   RE1     1       5.854   0.867   1.631  1.00  0.00           H
ATOM     66  4H5   RE1     1       0.000   7.322   5.723  1.00  0.00           H
ATOM     67  4H6   RE1     1      11.708   7.322   5.723  1.00  0.00           H
ATOM     68  4H7   RE1     1       5.854   3.227   5.723  1.00  0.00           H
ATOM     69  4H8   RE1     1       0.000   3.227   6.554  1.00  0.00           H
ATOM     70  4H9   RE1     1      11.708   3.227   6.554  1.00  0.00           H
ATOM     71  5H0   RE1     1       5.854   7.322   6.554  1.00  0.00           H
ATOM     72  5H1   RE1     1       0.000   0.867   2.461  1.00  0.00           H
ATOM     73  5H2   RE1     1      11.708   0.867   2.461  1.00  0.00           H
ATOM     74  5H3   RE1     1       5.854   4.962   2.461  1.00  0.00           H
ATOM     75  5H4   RE1     1       0.000   6.073   2.925  1.00  0.00           H
ATOM     76  5H5   RE1     1      11.708   6.073   2.925  1.00  0.00           H
ATOM     77  5H6   RE1     1       5.854   1.979   2.925  1.00  0.00           H
ATOM     78  5H7   RE1     1       0.000   6.211   7.017  1.00  0.00           H
ATOM     79  5H8   RE1     1      11.708   6.211   7.017  1.00  0.00           H
ATOM     80  5H9   RE1     1       5.854   2.116   7.017  1.00  0.00           H
ATOM     81  6H0   RE1     1       0.000   2.116   5.259  1.00  0.00           H
ATOM     82  6H1   RE1     1      11.708   2.116   5.259  1.00  0.00           H
ATOM     83  6H2   RE1     1       5.854   6.211   5.259  1.00  0.00           H
ATOM     84  6H3   RE1     1       0.000   1.979   1.167  1.00  0.00           H
ATOM     85  6H4   RE1     1      11.708   1.979   1.167  1.00  0.00           H
ATOM     86  6H5   RE1     1       5.854   6.073   1.167  1.00  0.00           H
ATOM     87  6H6   RE1     1       0.852   6.433   1.492  1.00  0.00           H
ATOM     88  6H7   RE1     1       6.706   2.338   1.492  1.00  0.00           H
ATOM     89  6H8   RE1     1      10.856   5.851   5.584  1.00  0.00           H
ATOM     90  6H9   RE1     1       5.002   1.757   5.584  1.00  0.00           H
ATOM     91  7H0   RE1     1       0.852   1.757   6.692  1.00  0.00           H
ATOM     92  7H1   RE1     1       6.706   5.851   6.692  1.00  0.00           H
ATOM     93  7H2   RE1     1      10.856   2.338   2.600  1.00  0.00           H
ATOM     94  7H3   RE1     1       5.002   6.433   2.600  1.00  0.00           H
ATOM     95  7H4   RE1     1      10.856   1.757   6.692  1.00  0.00           H
ATOM     96  7H5   RE1     1       5.002   5.851   6.692  1.00  0.00           H
ATOM     97  7H6   RE1     1       0.852   2.338   2.600  1.00  0.00           H
ATOM     98  7H7   RE1     1       6.706   6.433   2.600  1.00  0.00           H
ATOM     99  7H8   RE1     1      10.856   6.433   1.492  1.00  0.00           H
ATOM    100  7H9   RE1     1       5.002   2.338   1.492  1.00  0.00           H