REMARK  Name = BDB029409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.293  -0.793   0.211  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        0.708  -1.811  -0.564  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.669  -2.049  -0.523  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.484  -1.256   0.287  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.922  -0.256   1.085  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.455  -0.024   1.038  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  14
ATOM      7  O   LIG    1        7.870   2.316  -0.465  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        6.853   1.659  -0.318  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1        6.798   0.308   0.005  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        7.623  -0.254   0.148  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        5.488  -0.132   0.097  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.618   0.922  -0.163  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        3.247   0.733  -0.132  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        2.744  -0.549   0.168  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        3.660  -1.601   0.429  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.045  -1.400   0.395  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        5.411   2.161  -0.453  0.00  0.00    +0.133 C 
ENDBRANCH   1  14
BRANCH   4  18
ATOM     18  C   LIG    1       -2.935  -1.543   0.345  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -3.837  -0.492   0.157  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1       -5.258  -0.837   0.245  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -6.152   0.397   0.454  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -5.906   1.464  -0.534  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1       -6.118   1.094  -1.462  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.481   1.835  -0.492  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1       -3.537   0.642  -0.728  0.00  0.00    +0.123 C 
ATOM     26  O   LIG    1       -3.280  -2.699   0.576  0.00  0.00    -0.270 OA
ENDBRANCH   4  18
TORSDOF 2