REMARK  Name = BDB029360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.215   1.476  -0.554  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.140   0.951  -0.318  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1       -2.892   1.471  -0.637  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -2.768   2.359  -1.100  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1       -1.875   0.623  -0.230  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.418  -0.503   0.378  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -1.599  -1.495   0.873  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.213  -1.329   0.738  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.357  -0.188   0.110  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.516   0.807  -0.374  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -3.914  -0.397   0.378  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.821  -0.024  -0.030  0.00  0.00    +0.071 A 
ATOM     13  N   LIG    1        2.273   1.257  -0.006  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1        3.603   1.463  -0.127  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        4.529   0.449  -0.281  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.063  -0.858  -0.317  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.696  -1.100  -0.192  0.00  0.00    +0.028 A 
ENDBRANCH   9  12
TORSDOF 1