REMARK  Name = BDB005631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.758   1.054   0.522  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.322  -0.164   0.098  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.524  -1.314   0.223  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        1.028  -2.563  -0.157  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.456  -3.392  -0.071  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.280  -2.757  -0.662  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        3.134  -1.552  -0.816  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.507  -1.763  -1.401  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        5.422  -0.542  -1.244  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.660   0.750  -1.514  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        3.491   0.793  -0.651  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        2.949   1.658  -0.695  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        2.671  -3.876  -0.982  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.783  -1.253   0.720  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.346  -0.026   1.092  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.689  -0.328  -0.467  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.561   1.127   0.993  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        1.998   2.575   1.714  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        1.456   2.237   0.433  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1       -2.758   0.043   1.628  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.775  -0.575   0.759  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -4.976  -0.866   1.553  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.134   0.177  -0.468  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -3.121  -0.045  -1.597  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.397   1.677  -0.283  0.00  0.00    +0.024 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4