REMARK  Name = BDB051176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.235  -1.719  -0.380  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.757  -0.548   0.007  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.920   0.468   0.243  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.408   0.378   0.110  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        0.944  -0.791  -0.273  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.128  -1.871  -0.546  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.323  -0.879  -0.433  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        3.085   0.372  -0.292  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.573   0.138  -0.642  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.252  -0.913   0.149  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.183  -0.344   1.121  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.280  -1.800   0.818  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.025  -2.111  -0.032  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -2.064  -2.820  -0.686  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.656  -3.695  -0.381  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -6.868  -1.773  -1.428  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -5.539  -2.359  -1.156  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -5.362  -3.682  -0.870  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -6.068  -4.408  -0.805  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -4.081  -4.025  -0.665  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -3.407  -2.880  -0.803  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -4.276  -1.812  -1.124  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -1.545   1.645   0.652  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1       -2.540   1.472   0.701  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.094   2.922   0.997  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -2.037   3.880   1.400  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -1.643   5.170   1.756  0.00  0.00    +0.143 A 
ATOM     28  F   LIG    1       -2.585   6.047   2.134  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -0.304   5.537   1.720  0.00  0.00    +0.076 A 
ATOM     30 CL   LIG    1        0.190   7.125   2.159  0.00  0.00    -0.081 Cl
ATOM     31  C   LIG    1        0.649   4.604   1.324  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        0.251   3.309   0.966  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5