REMARK  Name = BDB029386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.796  -2.003  -1.297  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        4.844  -1.417  -0.810  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        3.654  -2.004  -0.395  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.487  -2.998  -0.459  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        2.776  -1.060   0.110  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.358   0.205   0.046  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        2.682   1.323   0.504  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        1.394   1.146   1.026  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        0.812  -0.139   1.062  0.00  0.00    +0.057 A 
ATOM     10 CL   LIG    1        0.575   2.543   1.627  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        1.513  -1.270   0.614  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.732   0.089  -0.546  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -0.532  -0.365   1.617  0.00  0.00    +0.248 C 
ATOM     14  N   LIG    1       -1.639  -0.006   0.854  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -2.963  -0.162   1.455  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -3.976   0.803   0.853  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1       -4.105   0.630  -0.661  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1       -2.831   0.093  -1.313  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -1.580   0.476  -0.530  0.00  0.00    +0.108 C 
ATOM     20  O   LIG    1       -0.599  -0.898   2.721  0.00  0.00    -0.270 OA
ENDBRANCH   9  13
TORSDOF 1