REMARK  Name = BDB001744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.719  -0.243   0.023  0.00  0.00    +0.284 C 
ATOM      2  N   LIG    1        0.508   0.458   0.002  0.00  0.00    -0.175 N 
ATOM      3  C   LIG    1        1.803  -0.039  -0.101  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        2.595   1.102  -0.070  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.990   0.986  -0.153  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.552  -0.291  -0.266  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.741  -1.427  -0.296  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        1.809   2.210   0.045  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.347  -1.327  -0.214  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1        0.546   1.814   0.088  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1       -0.638  -1.469  -0.060  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -3.589  -1.740   0.083  0.00  0.00    +0.087 C 
ATOM     13  C   LIG    1       -3.241  -0.302   0.157  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1       -2.038   0.396   0.136  0.00  0.00    +0.082 A 
ATOM     15  C   LIG    1       -2.417   1.769   0.246  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1       -3.789   1.805   0.323  0.00  0.00    +0.196 A 
ATOM     17  O   LIG    1       -4.295   0.552   0.269  0.00  0.00    -0.467 OA
ENDBRANCH   1  14
TORSDOF 1