REMARK  Name = BDB029378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.935  -0.277  -0.511  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.349   0.966  -0.251  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.963   1.066  -0.080  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.136  -0.066  -0.173  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1       -0.738  -1.304  -0.451  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -2.123  -1.409  -0.623  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.322   0.045   0.002  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        2.201  -0.422  -0.991  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        3.557  -0.291  -0.775  0.00  0.00    +0.038 A 
ATOM     10  N   LIG    1        4.589  -0.677  -1.615  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        4.485  -1.115  -2.518  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        5.828  -0.383  -1.059  0.00  0.00    +0.222 C 
ATOM     13  C   LIG    1        5.579   0.272   0.305  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1        6.912  -0.609  -1.571  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.081   0.280   0.380  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        3.246   0.747   1.374  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        1.865   0.626   1.177  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  21
ATOM     18  C   LIG    1       -6.643   0.338  -0.088  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1       -5.209   0.481  -0.060  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -4.809   1.039   0.681  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -4.404  -0.435  -0.706  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -4.839  -1.360  -1.382  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2