REMARK  Name = BDB005612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.820   1.042   0.044  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.567  -0.082  -0.388  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.878  -1.107  -1.066  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.556  -2.256  -1.488  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.064  -3.001  -1.961  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.884  -2.478  -1.279  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.643  -1.400  -0.598  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.119  -1.631  -0.399  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.885  -0.358  -0.019  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.095   0.477   0.982  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.774   0.727   0.437  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.196   1.401   0.941  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.417  -3.522  -1.642  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.493  -1.028  -1.329  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.227   0.081  -0.904  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.034  -0.271  -0.183  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.558   1.110  -0.224  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -0.798   3.232   1.020  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.488   2.019   0.745  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.709   0.184  -1.202  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.515   0.525  -0.020  0.00  0.00    -0.294 NA
ATOM     22  C   LIG    1        4.871   0.951  -0.429  0.00  0.00    +0.113 C 
ATOM     23  C   LIG    1        5.886   0.796   0.712  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1        6.069  -0.572   1.101  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        4.899  -1.377   0.898  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        3.590  -0.575   0.968  0.00  0.00    +0.113 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3