REMARK  Name = BDB046332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.334   3.353  -0.453  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.830   2.244  -0.320  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        1.609   1.076   0.158  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.970  -0.169   0.291  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        1.740  -1.258   0.727  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        3.099  -1.102   1.027  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.712   0.141   0.896  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.470  -0.283  -0.036  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.194  -1.598   0.136  0.00  0.00    +0.052 C 
ATOM     10  C   LIG    1       -2.721  -1.465   0.013  0.00  0.00    +0.086 C 
ATOM     11  N   LIG    1       -3.112  -0.597  -1.100  0.00  0.00    -0.310 NA
ATOM     12  H   LIG    1       -2.698  -0.955  -1.961  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -2.593   0.758  -0.877  0.00  0.00    +0.134 C 
ATOM     14  C   LIG    1       -1.131   0.805  -0.481  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.968   1.234   0.459  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -0.492   2.015  -0.615  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -1.001   2.826  -0.947  0.00  0.00    +0.169 HD
ENDROOT
TORSDOF 0