REMARK  Name = BDB046224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.305  -0.599   0.386  0.00  0.00    +0.000 A 
ATOM      2  C   LIG    1       -3.530   0.560   0.396  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -2.135   0.481   0.275  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.302   1.735   0.318  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        0.064   1.527  -0.341  0.00  0.00    +0.110 C 
ATOM      6  N   LIG    1        0.721   0.356   0.256  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1       -0.004  -0.915   0.039  0.00  0.00    +0.140 C 
ATOM      8  C   LIG    1       -1.510  -0.774   0.172  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -2.305  -1.932   0.157  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.694  -1.844   0.264  0.00  0.00    +0.000 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        2.111   0.224   0.083  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        2.837  -0.608   0.944  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        4.208  -0.739   0.779  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        4.912  -0.107  -0.179  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.208   0.701  -0.996  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        2.836   0.897  -0.904  0.00  0.00    +0.043 A 
ENDBRANCH   6  11
TORSDOF 1