ATOM      1  O3  442   773       1.173  -0.301   8.516  1.00 20.00           O+0
ATOM      2  C8  442   773       0.987   0.188   7.187  1.00 20.00           C+0
ATOM      3  O2  442   773       2.209   0.757   6.713  1.00 20.00           O+0
ATOM      4  C7  442   773       0.572  -0.964   6.271  1.00 20.00           C+0
ATOM      5  C5  442   773       0.375  -0.447   4.870  1.00 20.00           C+0
ATOM      6  C6  442   773      -0.868   0.004   4.470  1.00 20.00           C+0
ATOM      7  C4  442   773       1.437  -0.431   3.984  1.00 20.00           C+0
ATOM      8  C3  442   773       1.260   0.042   2.698  1.00 20.00           C+0
ATOM      9 BR2  442   773       2.713   0.063   1.488  1.00 20.00          BR+0
ATOM     10  C2  442   773       0.013   0.502   2.295  1.00 20.00           C+0
ATOM     11  C1  442   773      -1.050   0.484   3.186  1.00 20.00           C+0
ATOM     12 BR1  442   773      -2.750   1.110   2.642  1.00 20.00          BR+0
ATOM     13  O4  442   773      -0.164   0.968   1.031  1.00 20.00           O+0
ATOM     14  C11 442   773      -0.529  -0.095   0.268  1.00 20.00           C+0
ATOM     15  C12 442   773      -0.788   0.076  -1.083  1.00 20.00           C+0
ATOM     16  C13 442   773      -1.154  -1.005  -1.860  1.00 20.00           C+0
ATOM     17  C14 442   773      -1.273  -2.262  -1.285  1.00 20.00           C+0
ATOM     18  C15 442   773      -1.020  -2.433   0.067  1.00 20.00           C+0
ATOM     19  C16 442   773      -0.649  -1.353   0.842  1.00 20.00           C+0
ATOM     20  O   442   773      -1.639  -3.326  -2.049  1.00 20.00           O+0
ATOM     21  C17 442   773      -1.430  -0.819  -3.329  1.00 20.00           C+0
ATOM     22  O1  442   773      -2.812  -0.512  -3.520  1.00 20.00           O+0
ATOM     23  N28 442   773      -0.608   0.282  -3.846  1.00 20.00           N+0
ATOM     24  C29 442   773      -0.335  -0.019  -5.257  1.00 20.00           C+0
ATOM     25  C30 442   773       0.521   1.095  -5.861  1.00 20.00           C+0
ATOM     26  C31 442   773       0.801   0.785  -7.309  1.00 20.00           C+0
ATOM     27  C36 442   773       1.924   0.057  -7.656  1.00 20.00           C+0
ATOM     28  C35 442   773       2.178  -0.230  -8.984  1.00 20.00           C+0
ATOM     29  C32 442   773      -0.061   1.233  -8.291  1.00 20.00           C+0
ATOM     30  C33 442   773       0.194   0.949  -9.619  1.00 20.00           C+0
ATOM     31  C34 442   773       1.315   0.216  -9.966  1.00 20.00           C+0
END