REMARK  Name = BDB050009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.525   0.343  -0.125  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        0.986  -0.868  -0.535  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.402  -1.074  -0.496  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -1.242  -0.029  -0.033  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -2.628  -0.283  -0.013  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -3.148  -1.523  -0.435  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -2.304  -2.530  -0.884  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.697   1.154   0.366  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.935  -2.304  -0.914  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.649   1.315   0.314  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.633   0.722   0.450  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.835   0.473   0.457  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.186   1.939   0.870  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.850   2.630   1.185  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.191   2.153   0.867  0.00  0.00    +0.145 HD
ENDBRANCH   5  11
BRANCH   1  18
ATOM     16  C   LIG    1        5.562   1.002  -0.215  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        4.119   0.767  -0.183  0.00  0.00    -0.100 C 
ATOM     18  C   LIG    1        2.934   0.574  -0.156  0.00  0.00    -0.065 C 
ENDBRANCH   1  18
TORSDOF 2