REMARK  Name = BDB051637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.964  -1.111   2.192  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.856  -1.006   1.682  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.515  -1.669   0.393  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.297  -1.390  -0.256  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -1.963  -2.100  -1.422  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -0.625  -1.858  -2.064  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.401  -1.517  -0.982  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.006  -0.334  -0.217  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.803   0.776   0.024  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        0.361   1.766   0.609  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.869  -3.020  -1.965  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.088  -3.264  -1.333  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.394  -0.289   0.287  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.481  -0.322   1.829  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.409  -2.599  -0.150  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.858  -0.282   2.286  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -3.079   0.075   3.207  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.248   0.707  -0.463  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.112   1.864  -0.015  0.00  0.00    -0.037 A 
ATOM     20  C   LIG    1        3.203   3.027  -0.795  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.994   4.095  -0.371  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        4.105   5.512  -1.342  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        4.695   4.024   0.830  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.602   2.876   1.617  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.812   1.803   1.198  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2