REMARK  Name = BDB046919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.654   1.417   0.418  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        4.772   0.628   0.104  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1        3.359   0.853   0.452  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        2.430  -0.109   0.047  0.00  0.00    +0.100 A 
ATOM      5  C   LIG    1        1.096   0.138   0.381  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        0.702   1.231   1.109  0.00  0.00    -0.256 NA
ATOM      7  C   LIG    1        1.644   2.127   1.470  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        2.816  -1.274  -0.651  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1        4.065  -1.419  -0.932  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1        2.980   1.988   1.165  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1        5.035  -0.524  -0.591  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        6.002  -0.689  -0.833  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.013  -0.867   0.016  0.00  0.00    +0.139 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -1.304  -0.231  -0.144  0.00  0.00    -0.304 NA
ATOM     15  H   LIG    1       -1.409   0.436   0.626  0.00  0.00    +0.123 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.376  -1.221  -0.080  0.00  0.00    +0.156 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.707  -0.571  -0.234  0.00  0.00    +0.119 A 
ATOM     18  O   LIG    1       -4.688  -0.978   0.624  0.00  0.00    -0.467 OA
ATOM     19  C   LIG    1       -5.806  -0.273   0.310  0.00  0.00    +0.195 A 
ATOM     20  C   LIG    1       -5.561   0.580  -0.740  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.205   0.387  -1.094  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 4