REMARK  Name = BDB062925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.640  -1.760  -0.023  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.616  -1.116   0.362  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.176  -0.184  -0.486  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.657  -0.009  -1.597  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.135  -1.699   1.584  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.555  -3.104   1.581  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.830  -2.905   0.982  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.459   0.624  -0.069  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -2.162   1.345   1.283  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.079   2.523   1.638  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -3.241   3.517   0.501  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -3.671   2.812  -0.774  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -2.656   1.739  -1.156  0.00  0.00    +0.021 C 
BRANCH   8  14
ATOM     14  C   LIG    1       -3.688  -0.315  -0.102  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1       -3.956  -1.062  -1.269  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -5.053  -1.925  -1.351  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -5.904  -2.062  -0.262  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -7.252  -3.125  -0.354  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.663  -1.345   0.905  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.564  -0.482   0.984  0.00  0.00    +0.006 A 
ENDBRANCH   8  14
ENDBRANCH   3   8
BRANCH   1  23
ATOM     21  N   LIG    1        2.885  -1.145  -0.746  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        2.700  -1.883  -1.414  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        1.836  -0.786   0.090  0.00  0.00    +0.238 C 
ATOM     24  O   LIG    1        1.841   0.137   0.903  0.00  0.00    -0.273 OA
BRANCH  21  28
ATOM     25  C   LIG    1        6.731   0.564  -1.166  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        6.306  -0.493  -1.970  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        5.029  -1.039  -1.814  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.153  -0.536  -0.846  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        4.581   0.519  -0.041  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.863   1.068  -0.200  0.00  0.00    +0.047 A 
BRANCH  25  32
ATOM     31  C   LIG    1        8.465   2.101  -0.641  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        7.999   1.006  -1.421  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  21  28
ENDBRANCH   1  23
TORSDOF 5