REMARK  Name = BDB053125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.020   2.583   1.338  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.328   1.895   0.613  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.373   0.525   0.439  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.618   0.048  -0.508  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        1.291   1.323  -0.942  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.308   1.533  -1.861  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.748   2.844  -2.075  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        2.171   3.923  -1.379  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.143   3.709  -0.460  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.728   2.405  -0.267  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.583  -0.972   0.085  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.835  -2.197  -0.559  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.725  -3.128  -0.014  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.380  -2.843   1.181  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        4.474  -3.988   1.851  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.153  -1.636   1.836  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.263  -0.706   1.291  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.086  -0.471  -1.620  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.840   0.131  -1.733  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.301  -0.342   1.140  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.571  -0.575   0.355  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -2.769  -1.769  -0.344  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -3.941  -1.958  -1.078  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1       -4.923  -0.986  -1.138  0.00  0.00    -0.147 N 
ATOM     25  O   LIG    1       -5.979  -1.171  -1.814  0.00  0.00    -0.164 OA
ATOM     26  C   LIG    1       -4.719   0.195  -0.449  0.00  0.00    +0.133 A 
ATOM     27  C   LIG    1       -3.558   0.415   0.293  0.00  0.00    +0.026 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4