REMARK  Name = BDB060343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.192   0.292  -0.704  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -1.539   0.240  -1.941  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.202  -0.164  -2.013  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.502  -0.526  -0.856  0.00  0.00    -0.033 A 
ATOM      5  C   LIG    1       -0.163  -0.498   0.376  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.499  -0.095   0.451  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.551   0.245   1.402  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -5.620   0.640   0.454  0.00  0.00    -0.226 N 
ATOM      9  C   LIG    1       -6.208   1.539  -0.419  0.00  0.00    +0.085 A 
ATOM     10  C   LIG    1       -5.409   2.082  -1.451  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -4.129   1.709  -1.558  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -3.619   0.716  -0.568  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -7.519   1.704  -0.042  0.00  0.00    +0.069 A 
ATOM     14 CL   LIG    1       -8.699   2.687  -0.769  0.00  0.00    -0.081 Cl
ATOM     15  N   LIG    1       -4.327   0.225   0.404  0.00  0.00    -0.166 NA
ATOM     16  C   LIG    1       -7.740   0.899   1.093  0.00  0.00    +0.055 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -7.200  -0.702   3.484  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.859   0.050   3.613  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -6.945  -1.256   4.290  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.277  -0.686   2.472  0.00  0.00    +0.260 C 
ATOM     21  O   LIG    1       -5.313  -1.439   2.559  0.00  0.00    -0.269 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        1.946  -0.986  -0.941  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.812  -0.023  -1.649  0.00  0.00    -0.296 NA
ATOM     24  C   LIG    1        4.085  -0.659  -2.035  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1        5.020  -1.056  -0.862  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1        4.825  -0.261   0.360  0.00  0.00    -0.297 NA
ATOM     27  C   LIG    1        4.400   1.107   0.044  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1        3.106   1.163  -0.812  0.00  0.00    +0.100 C 
BRANCH  26  29
ATOM     29  C   LIG    1        5.864  -0.325   1.397  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1        6.911  -1.403   1.459  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1        7.302   0.004   1.101  0.00  0.00    +0.020 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5