REMARK  Name = BDB031589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.319   0.065   0.148  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -1.013  -0.201  -0.786  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.308   0.229   1.081  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1       -0.509   0.143   2.288  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.057   0.531   0.459  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.804  -0.678  -0.090  0.00  0.00    -0.032 A 
ATOM      7  C   LIG    1        3.125  -0.454  -0.534  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        3.868  -1.496  -1.098  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.313  -2.770  -1.202  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.017  -3.004  -0.748  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.696   0.936  -0.420  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        3.366   1.570   0.934  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1        1.264  -1.966  -0.195  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.964   1.247   1.473  0.00  0.00    +0.018 C 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -5.381   1.893  -1.508  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.667   1.192  -0.797  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.461  -0.130  -1.097  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.886  -0.427  -1.965  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.376  -0.869  -0.700  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.946  -1.778  -1.411  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.638  -0.406   0.560  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.454   0.643   1.316  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.902   1.751   0.377  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2