REMARK  Name = BDB020839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.446   0.522  -0.215  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.353   1.045   0.811  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        1.715   0.877   0.872  0.00  0.00    +0.172 A 
ATOM      4  N   LIG    1        2.180   1.490   1.942  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.112   2.051   2.606  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.324   0.118  -0.166  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        1.486  -0.364  -1.110  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.027   1.769   1.921  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.118  -0.182  -1.160  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.764  -0.150  -0.241  0.00  0.00    -0.037 C 
ATOM     11  C   LIG    1        4.348  -0.933   0.923  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        5.776  -0.521   1.294  0.00  0.00    +0.164 C 
ATOM     13  O   LIG    1        6.797  -1.108   0.489  0.00  0.00    -0.379 OA
ATOM     14  C   LIG    1        6.542  -1.157  -0.911  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1        5.967   0.128  -1.507  0.00  0.00    +0.055 C 
ATOM     16  C   LIG    1        4.495   0.342  -1.264  0.00  0.00    -0.020 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.805   0.761  -0.192  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.126   1.589   0.297  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.639   0.431  -1.336  0.00  0.00    +0.143 C 
BRANCH  19  22
ATOM     20  F   LIG    1       -4.314   2.560  -2.178  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -4.863   1.625  -1.387  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1       -4.084   0.547  -0.947  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.707  -0.379  -0.117  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.153  -1.572   0.569  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.459  -2.224   1.024  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.492  -1.214   1.091  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.037  -0.229   0.254  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.805   0.836  -0.172  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.205   1.775  -1.010  0.00  0.00    +0.042 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4