REMARK  Name = BDB049428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179  -1.610  -1.003  0.00  0.00    +0.074 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.100   2.019  -0.246  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1        3.909   1.194   0.865  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        2.916   0.210   0.782  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.123   0.029  -0.352  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.221  -1.053  -0.080  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1        1.511  -1.497   1.198  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1        2.338   0.876  -1.460  0.00  0.00    +0.010 A 
ATOM      9  N   LIG    1        2.518  -0.725   1.708  0.00  0.00    -0.360 N 
ATOM     10  H   LIG    1        2.916  -0.822   2.631  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        3.328   1.865  -1.394  0.00  0.00    +0.001 A 
ENDBRANCH   1   6
BRANCH   1  12
ATOM     12  C   LIG    1       -1.213  -1.510  -0.453  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1       -1.984  -0.315  -0.267  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -3.225  -0.692   0.248  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -4.235   0.231   0.548  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.967   1.583   0.316  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -2.737   1.993  -0.193  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -3.210  -2.060   0.378  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1       -3.981  -2.609   0.732  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1       -1.740   1.056  -0.488  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -2.010  -2.564  -0.043  0.00  0.00    +0.087 A 
ENDBRANCH   1  12
TORSDOF 2