REMARK  Name = BDB062217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.546  -5.061   0.575  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.151  -3.920   0.451  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.929  -2.676   0.223  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.264  -2.683   0.125  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.063  -1.611   0.119  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.126  -2.118   0.274  0.00  0.00    +0.190 C 
ATOM      7  N   LIG    1       -0.125  -3.460   0.477  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.917  -4.064   0.587  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.135  -1.522  -0.114  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.867  -0.251   0.414  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.742   0.811   0.183  0.00  0.00    +0.163 A 
ATOM     12  O   LIG    1        4.390   2.028   0.713  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1        5.157   3.089   0.133  0.00  0.00    +0.270 C 
ATOM     14  C   LIG    1        6.630   2.719   0.081  0.00  0.00    +0.270 C 
ATOM     15  O   LIG    1        6.839   1.595  -0.782  0.00  0.00    -0.485 OA
ATOM     16  C   LIG    1        5.918   0.607  -0.545  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1        6.197  -0.649  -1.075  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1        5.313  -1.709  -0.854  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -1.294  -1.406   0.238  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1       -1.268   0.029  -0.098  0.00  0.00    +0.126 C 
ATOM     21  C   LIG    1       -2.552   0.478  -0.828  0.00  0.00    +0.124 C 
ATOM     22  N   LIG    1       -3.772   0.151  -0.063  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1       -3.638  -0.885   0.971  0.00  0.00    +0.124 C 
ATOM     24  C   LIG    1       -2.612  -1.964   0.562  0.00  0.00    +0.126 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.904   0.945  -0.166  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -5.850   1.036   0.871  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -6.995   1.834   0.760  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -7.216   2.554  -0.402  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.311   3.317  -0.512  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.315   2.490  -1.451  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -5.172   1.690  -1.330  0.00  0.00    +0.026 A 
ENDBRANCH  22  25
ENDBRANCH   6  19
TORSDOF 3