REMARK  Name = BDB042787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.191  -3.269  -0.882  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.380  -2.358  -0.757  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.747  -1.100  -0.093  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.779  -0.111   0.041  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.060   1.101   0.687  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -1.110   2.131   0.779  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.305   2.783   1.537  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.277   1.661   0.770  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.568   0.782  -0.452  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -3.370   1.323   1.122  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.338   0.328   0.982  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.580   0.556   1.427  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.444  -0.359  -0.531  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.138  -1.470  -1.137  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -4.039  -0.890   0.387  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.088  -2.444  -1.217  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.820  -3.297  -1.700  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.022   0.335  -0.432  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        2.953   0.965  -1.267  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1        2.556   1.955  -2.079  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.297   0.606  -1.268  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.730  -0.402  -0.414  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        6.388  -0.857  -0.400  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.829  -1.042   0.437  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.481  -0.673   0.432  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
TORSDOF 1