REMARK  Name = BDB008465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.774   0.235   0.051  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1        1.139  -1.085   0.257  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1       -0.333  -0.932   0.105  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.036   0.235   0.289  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.359   1.437   0.662  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1       -0.928   2.585   0.854  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1       -2.250   2.893   0.721  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -2.435   3.875   0.915  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -3.418   2.230   0.402  0.00  0.00    +0.273 A 
ATOM     10  C   LIG    1       -3.513   0.800   0.065  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -4.756   0.222  -0.244  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -4.844  -1.127  -0.570  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1       -3.723  -1.957  -0.606  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.494  -1.369  -0.295  0.00  0.00    +0.051 A 
ATOM     15  F   LIG    1       -6.043  -1.650  -0.861  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1       -4.465   2.886   0.400  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -2.383  -0.015   0.039  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1       -1.223  -1.909  -0.251  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1       -0.995  -2.871  -0.464  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1        1.156   1.291   0.912  0.00  0.00    +0.142 C 
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1        3.226   0.193   0.297  0.00  0.00    +0.085 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.491  -0.560  -0.517  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        3.986  -0.663  -0.722  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 2