REMARK  Name = BDB046970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.963  -0.311  -0.450  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.065   0.712  -0.004  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.246   0.213  -0.093  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.361   0.993   0.282  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -2.779   0.552   0.245  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.183  -0.531  -0.488  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.190  -0.647  -0.472  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.419  -1.280  -1.460  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.230  -1.985  -0.835  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -3.635   1.173   0.874  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.108   2.295   0.762  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        0.181   2.804   0.855  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.131  -1.075  -0.572  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        1.270   2.023   0.475  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        1.182  -1.396  -0.792  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        3.451  -0.226  -0.536  0.00  0.00    +0.227 C 
BRANCH  16  18
ATOM     17  O   LIG    1        4.910  -1.562   0.579  0.00  0.00    -0.149 OA
ATOM     18  N   LIG    1        4.081  -0.659   0.745  0.00  0.00    -0.064 NA
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 2