REMARK  Name = BDB013677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.713   0.140   0.497  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.497   1.131   0.406  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.946  -0.284   0.044  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        3.090   0.666   0.063  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        4.294   0.245  -0.487  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        5.401   1.106  -0.514  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        5.301   2.389   0.024  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.101   2.808   0.595  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.408  -1.121  -1.022  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.462  -1.478  -1.546  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.289  -1.932  -0.881  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.314  -3.291  -1.387  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        2.997   1.950   0.620  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.082  -1.504  -0.396  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.498  -0.657   0.288  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.742   0.137   0.805  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.054  -0.625   0.624  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -3.395  -1.265  -0.581  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -4.605  -1.952  -0.707  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -5.481  -2.004   0.368  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -6.641  -2.662   0.244  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -5.172  -1.382   1.570  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.964  -0.695   1.698  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
BRANCH  16  25
ATOM     24  C   LIG    1       -1.982   1.695  -1.121  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -1.737   1.550   0.313  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -2.648   2.406   1.073  0.00  0.00    +0.105 C 
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5