REMARK  Name = BDB005579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.997  -0.238  -0.349  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.238  -0.423   0.816  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.153  -0.286   0.786  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.826   0.050  -0.397  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.300   0.193  -0.361  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        2.971   0.577  -1.518  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        2.489   1.307  -2.036  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        4.425   0.652  -1.573  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        4.983   1.069  -0.218  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.450   0.159   0.893  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.962  -0.039   0.791  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        2.242  -0.435   2.031  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        2.837  -0.672   3.078  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.067   0.214  -1.563  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        0.880  -0.508   1.959  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        0.406  -0.771   2.812  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -1.327   0.076  -1.540  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -3.512  -0.395  -0.339  0.00  0.00    +0.081 C 
ATOM     19  C   LIG    1       -3.878  -1.874  -0.164  0.00  0.00    +0.029 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -5.545   0.568   0.610  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -4.096   0.457   0.710  0.00  0.00    -0.313 NA
ATOM     22  H   LIG    1       -3.694   1.390   0.617  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 2