REMARK  Name = BDB009601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.093  -2.232  -0.591  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -2.044  -1.052  -0.481  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -3.262  -1.230  -0.566  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.460   0.198  -0.304  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        0.006   0.312  -0.058  0.00  0.00    +0.147 C 
ATOM      6  C   LIG    1        0.558   1.735  -0.178  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.129   2.127   1.036  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        1.736   3.352   1.214  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        1.769   4.210   0.115  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        1.206   3.836  -1.119  0.00  0.00    +0.020 A 
ATOM     11 CL   LIG    1        2.511   5.755   0.269  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1        0.978   1.131   1.985  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        1.272   1.183   2.950  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        0.596   2.587  -1.274  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        0.289   0.036   1.475  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -0.045  -0.938   2.133  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        0.846  -0.625  -1.007  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1        0.064  -1.860  -1.508  0.00  0.00    +0.024 C 
ENDROOT
BRANCH  17  19
ATOM     19  C   LIG    1        2.242  -0.977  -0.492  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        3.342  -0.192  -0.882  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        4.622  -0.473  -0.404  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        5.947   0.511  -0.889  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        4.833  -1.538   0.465  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.755  -2.327   0.860  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.469  -2.048   0.387  0.00  0.00    +0.004 A 
ENDBRANCH  17  19
BRANCH   1  26
ATOM     26  C   LIG    1       -1.833  -3.499  -1.041  0.00  0.00    +0.133 C 
BRANCH  26  28
ATOM     27  O   LIG    1       -1.763  -3.990  -3.397  0.00  0.00    -0.251 OA
ATOM     28  C   LIG    1       -2.336  -3.446  -2.464  0.00  0.00    +0.305 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -3.466  -2.729  -2.628  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -3.762  -2.265  -1.806  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   4  31
ATOM     31  C   LIG    1       -2.366   1.327  -0.056  0.00  0.00    +0.112 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.525   1.622   1.406  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -3.191   0.644   2.343  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -3.890   1.922   1.976  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH   4  31
TORSDOF 6