REMARK  Name = BDB053575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.051  -1.373   1.250  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.349  -1.795   0.886  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.683  -3.147   0.990  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.738  -4.062   1.457  0.00  0.00    +0.043 A 
ATOM      5 CL   LIG    1       -1.152  -5.729   1.583  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        0.540  -3.646   1.823  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.887  -2.299   1.722  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   2   8
ATOM      8  N   LIG    1       -2.232  -0.804   0.395  0.00  0.00    -0.278 N 
ATOM      9  H   LIG    1       -1.821   0.123   0.364  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.556  -0.951   0.041  0.00  0.00    +0.252 C 
ATOM     11  O   LIG    1       -4.250  -1.950   0.203  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.213   0.252  -0.546  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1       -5.598   0.439  -0.381  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1       -6.216   1.579  -0.910  0.00  0.00    +0.061 A 
ATOM     15 BR   LIG    1       -8.076   1.891  -0.697  0.00  0.00    -0.046 Br
ATOM     16  C   LIG    1       -5.470   2.519  -1.622  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -4.106   2.313  -1.811  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1       -3.188   3.458  -2.708  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -3.473   1.187  -1.285  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     20  O   LIG    1       -6.373  -0.472   0.293  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1       -5.853  -1.298   0.417  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH  10  12
ENDBRANCH   2   8
BRANCH   1  22
ATOM     22  O   LIG    1        0.193  -0.011   1.138  0.00  0.00    -0.453 OA
BRANCH  22  25
ATOM     23  C   LIG    1        1.441   0.972   3.481  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1        2.140   0.909   2.153  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        1.504   0.401   1.008  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1        2.147   0.390  -0.253  0.00  0.00    +0.064 A 
ATOM     27 BR   LIG    1        1.122  -0.162  -1.767  0.00  0.00    -0.046 Br
ATOM     28  C   LIG    1        3.487   0.814  -0.362  0.00  0.00    -0.027 A 
ATOM     29  C   LIG    1        4.124   1.271   0.813  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.465   1.324   2.044  0.00  0.00    +0.007 A 
BRANCH  28  31
ATOM     31  C   LIG    1        4.334   0.837  -1.633  0.00  0.00    +0.014 C 
ATOM     32  C   LIG    1        4.570  -0.546  -2.244  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        3.858   1.858  -2.668  0.00  0.00    +0.012 C 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 6