REMARK  Name = BDB000613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.149   0.704  -0.049  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -0.299  -0.470  -0.377  0.00  0.00    +0.235 C 
ATOM      3  N   LIG    1       -1.510  -1.094  -0.644  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -1.481  -2.081  -0.870  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.801  -0.529  -0.580  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.882  -1.375  -0.866  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -5.193  -0.893  -0.829  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.428   0.435  -0.504  0.00  0.00    +0.117 A 
ATOM      9  C   LIG    1       -4.371   1.290  -0.217  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.058   0.806  -0.256  0.00  0.00    +0.027 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -6.720   0.865  -0.478  0.00  0.00    -0.507 OA
ATOM     12  H   LIG    1       -6.729   1.800  -0.215  0.00  0.00    +0.292 HD
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  13
ATOM     13  C   LIG    1        0.900  -1.402  -0.612  0.00  0.00    +0.210 C 
BRANCH  13  14
ATOM     14  N   LIG    1        2.053  -1.019   0.167  0.00  0.00    -0.255 N 
ATOM     15  C   LIG    1        2.967  -0.005  -0.163  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.904   0.170   0.855  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        4.926   1.097   0.790  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.993   1.885  -0.359  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.049   1.728  -1.393  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.573  -0.774   1.923  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1        4.165  -0.939   2.964  0.00  0.00    -0.282 OA
ATOM     22  C   LIG    1        3.023   0.777  -1.301  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        2.312  -1.527   1.429  0.00  0.00    +0.292 C 
ATOM     24  O   LIG    1        1.708  -2.381   2.043  0.00  0.00    -0.266 OA
ENDBRANCH  13  14
ENDBRANCH   2  13
TORSDOF 4