REMARK  Name = BDB041959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.567   0.859   0.531  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        4.465  -0.131  -0.082  0.00  0.00    +0.271 A 
ATOM      3  O   LIG    1        5.681   0.006  -0.112  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1        3.850  -1.222  -0.625  0.00  0.00    -0.274 N 
ATOM      5  H   LIG    1        4.448  -1.896  -1.083  0.00  0.00    +0.173 HD
ATOM      6  C   LIG    1        2.501  -1.399  -0.820  0.00  0.00    +0.334 A 
ATOM      7  O   LIG    1        2.142  -2.356  -1.501  0.00  0.00    -0.246 OA
ATOM      8  N   LIG    1        1.667  -0.418  -0.242  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        2.245   0.664   0.422  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        0.226  -0.543  -0.357  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -0.620   0.572  -0.274  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -2.018   0.439  -0.365  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.552  -0.851  -0.539  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.930  -0.990  -0.629  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.786   0.112  -0.554  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.257   1.386  -0.386  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -1.769  -1.935  -0.620  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1       -2.877   1.552  -0.292  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -0.422  -1.766  -0.536  0.00  0.00    +0.137 A 
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1        4.470   2.916   1.793  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        4.101   1.978   1.217  0.00  0.00    +0.106 C 
ENDBRANCH   1  21
TORSDOF 2