REMARK  Name = BDB029435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.155  -0.587  -0.635  0.00  0.00    +0.110 C 
ATOM      2  C   LIG    1       -0.698  -0.820  -0.289  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -0.518  -2.133   0.134  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.709  -2.639   0.505  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        1.808  -1.779   0.426  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.676  -0.446  -0.034  0.00  0.00    -0.017 A 
ATOM      7  N   LIG    1       -1.715  -2.818   0.072  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1       -1.849  -3.797   0.277  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        0.399   0.022  -0.404  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.732  -2.016  -0.423  0.00  0.00    +0.225 C 
ATOM     11  O   LIG    1       -3.870  -2.398  -0.643  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.852   0.434  -0.128  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        2.872   1.683   0.504  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        4.002   2.478   0.388  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        5.102   2.122  -0.307  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        5.069   0.917  -0.912  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.987   0.052  -0.852  0.00  0.00    +0.028 A 
ENDBRANCH   6  12
BRANCH   1  19
ATOM     18  C   LIG    1       -2.212   1.790   0.373  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1       -2.913   0.432   0.253  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1       -4.330   0.683  -0.287  0.00  0.00    +0.008 C 
ENDBRANCH   1  19
TORSDOF 2