REMARK  Name = BDB047659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.745   1.227  -0.783  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        3.434   0.674  -0.550  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        3.163  -0.670  -0.379  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1        3.943  -1.602  -0.392  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        1.712  -0.778  -0.167  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.934  -1.886   0.044  0.00  0.00    -0.030 A 
ATOM      7  C   LIG    1        1.354  -3.317   0.146  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1        0.012  -4.033  -0.043  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.069  -3.088   0.497  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -0.449  -1.738   0.244  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1       -1.016  -0.447   0.223  0.00  0.00    +0.054 A 
ATOM     12  N   LIG    1       -2.309   0.005   0.407  0.00  0.00    -0.343 N 
ATOM     13  C   LIG    1       -3.435  -0.851   0.717  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.381   1.378   0.258  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -1.084   1.831   0.003  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -0.872   3.216  -0.179  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -1.951   4.102  -0.107  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.233   3.629   0.142  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.471   2.264   0.328  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -0.224   0.690  -0.014  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        1.160   0.508  -0.208  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1        2.251   1.507  -0.463  0.00  0.00    +0.144 C 
ENDROOT
TORSDOF 0