REMARK  Name = BDB044031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.117   1.341  -0.043  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        2.095   0.294   0.367  0.00  0.00    +0.175 C 
ATOM      3  O   LIG    1        0.819   0.943   0.591  0.00  0.00    -0.488 OA
ATOM      4  C   LIG    1       -0.108   0.004   0.211  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        0.451  -1.030  -0.532  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.331  -2.050  -1.049  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.704  -2.023  -0.797  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.273  -0.979  -0.048  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -1.470   0.056   0.459  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        1.904  -0.791  -0.701  0.00  0.00    +0.083 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.066   1.147   1.262  0.00  0.00    +0.245 C 
ATOM     12  O   LIG    1       -1.530   1.611   2.258  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.275   1.623   0.827  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.606   2.458   1.293  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.594   1.455  -0.116  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
TORSDOF 1