REMARK  Name = BDB053100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.544   2.316   2.177  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.257   1.839   1.397  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.113   0.722   0.596  0.00  0.00    -0.261 N 
ATOM      4  C   LIG    1       -1.269   0.481  -0.248  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.192   1.607   0.143  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.456   1.933  -0.325  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.094   3.054   0.217  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.468   3.836   1.206  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.192   3.509   1.669  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.585   2.395   1.120  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.887  -0.898  -0.049  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.221  -1.713  -1.147  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.800  -2.972  -0.960  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.055  -3.433   0.328  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.769  -4.981   0.557  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.738  -2.646   1.431  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.160  -1.387   1.244  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.848   0.686  -1.585  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.512   1.596  -1.609  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.113  -0.059   0.521  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.169   0.589  -0.378  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.440  -0.220  -0.414  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        3.615  -1.228  -1.372  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.784  -1.990  -1.390  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.785  -1.755  -0.449  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.618  -0.759   0.512  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.450   0.004   0.531  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5