REMARK  Name = BDB046104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.010   0.585  -0.366  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -1.102  -0.073   0.138  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -1.131  -1.103   1.218  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1       -2.381  -0.980   2.082  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -3.581  -1.458   1.422  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.167  -2.108   1.932  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.242  -0.921   0.347  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -3.638   0.120  -0.523  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.498   0.822  -1.394  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -4.013   1.785  -2.275  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.651   2.077  -2.329  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.801   1.371  -1.470  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -5.380  -1.328   0.111  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.255   0.408  -0.565  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1       -0.436   1.450  -1.333  0.00  0.00    -0.354 N 
ATOM     16  H   LIG    1        0.159   2.071  -1.864  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.153   0.316   0.625  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        3.692  -0.160  -0.603  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.332  -0.072  -0.925  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        1.423   0.490  -0.023  0.00  0.00    -0.001 A 
ATOM     21  C   LIG    1        1.886   0.966   1.205  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.244   0.879   1.524  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.411  -0.289   0.192  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        5.448   0.292   1.062  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
TORSDOF 2