REMARK  Name = BDB059721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.018   0.874   0.123  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1       -0.882   2.061   0.019  0.00  0.00    +0.265 A 
ATOM      3  O   LIG    1       -0.475   3.218   0.002  0.00  0.00    -0.267 OA
ATOM      4  N   LIG    1       -2.228   1.821  -0.090  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1       -2.809   2.647  -0.156  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.780   0.544  -0.209  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -1.948  -0.577  -0.177  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.529  -1.834  -0.375  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -3.902  -1.913  -0.558  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1       -4.723  -0.842  -0.560  0.00  0.00    -0.261 NA
ATOM     11  C   LIG    1       -4.144   0.367  -0.393  0.00  0.00    +0.137 A 
ATOM     12  C   LIG    1       -0.504  -0.368   0.045  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  15
ATOM     13  N   LIG    1        2.327   0.292  -0.327  0.00  0.00    -0.311 N 
ATOM     14  H   LIG    1        1.918  -0.527  -0.765  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        1.467   1.081   0.409  0.00  0.00    +0.253 C 
ATOM     16  O   LIG    1        1.849   1.885   1.252  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1        4.533  -0.370  -1.154  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        3.742   0.270  -0.030  0.00  0.00    +0.101 C 
ENDBRANCH  13  18
ENDBRANCH   1  15
BRANCH  12  19
ATOM     19  O   LIG    1        0.274  -1.503   0.198  0.00  0.00    -0.505 OA
ATOM     20  H   LIG    1       -0.209  -2.122   0.776  0.00  0.00    +0.292 HD
ENDBRANCH  12  19
TORSDOF 3