QM region input


Click here for full thread
Clicked A Few Times
ATOM    126  H06   RE1     1       8.183  -0.651   0.543  1.00  0.00           H
ATOM    128  H08   RE1     1       8.183   0.651  -0.543  1.00  0.00           H
ATOM    129  H09   RE1     1       9.383  -0.543  -0.651  1.00  0.00           H
ATOM    130  H10   RE1     1       8.183   8.841  -0.543  1.00  0.00           H
ATOM    131  H11   RE1     1       9.383   7.646  -0.651  1.00  0.00           H
ATOM    132  H12   RE1     1       9.383   8.732   0.651  1.00  0.00           H
ATOM    133  H13   RE1     1       8.183  -0.651   8.727  1.00  0.00           H
ATOM    134  H14   RE1     1       9.383  -0.543   7.533  1.00  0.00           H
ATOM    135  H15   RE1     1       9.383   0.543   8.836  1.00  0.00           H
ATOM    136  H16   RE1     1       8.183   7.538   8.727  1.00  0.00           H
ATOM    137  H17   RE1     1       8.183   8.841   7.641  1.00  0.00           H
ATOM    138  H18   RE1     1       9.383   8.732   8.836  1.00  0.00           H
ATOM    139  H19   RE1     1       9.378  -0.651   3.549  1.00  0.00           H
ATOM    140  H20   RE1     1       8.179  -0.543   4.744  1.00  0.00           H
ATOM    141  H21   RE1     1       9.378   8.841   4.635  1.00  0.00           H
ATOM    142  H22   RE1     1       8.179   8.732   3.441  1.00  0.00           H
ATOM    143  H23   RE1     1      -0.852   6.433   1.492  1.00  0.00           H
ATOM    144  H24   RE1     1      12.560   6.433   1.492  1.00  0.00           H
ATOM    145  H25   RE1     1      -0.852   5.851   5.584  1.00  0.00           H
ATOM    146  H26   RE1     1      12.560   5.851   5.584  1.00  0.00           H
ATOM    147  H27   RE1     1      -0.852   1.757   6.692  1.00  0.00           H
ATOM    148  H28   RE1     1      12.560   1.757   6.692  1.00  0.00           H
ATOM    149  H29   RE1     1      -0.852   2.338   2.600  1.00  0.00           H
ATOM    150  H30   RE1     1      12.560   2.338   2.600  1.00  0.00           H
END