REMARK  Name = BDB004475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.437  -3.325  -1.097  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.375  -2.455  -0.854  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.379  -1.140  -1.277  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.516  -0.392  -0.774  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.274  -1.441   0.001  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.476  -1.354   0.687  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.954  -2.500   1.332  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -3.231  -3.707   1.279  0.00  0.00    +0.019 A 
ATOM      9 BR   LIG    1       -3.911  -5.234   2.163  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.027  -3.798   0.583  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -1.580  -2.650  -0.042  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.146   0.823   0.068  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.367   0.683   1.236  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -0.010   1.795   2.003  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.431   3.064   1.618  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        0.017   4.435   2.554  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -1.210   3.230   0.476  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.565   2.117  -0.292  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   4  19
ATOM     19  O   LIG    1       -2.297  -0.042  -1.902  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -2.321  -0.847  -2.445  0.00  0.00    +0.213 HD
ENDBRANCH   4  19
BRANCH   3  21
ATOM     21  C   LIG    1        0.634  -0.575  -2.153  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.754   0.114  -1.409  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        1.914   1.506  -1.495  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.930   2.151  -0.786  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.801   1.397   0.010  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        3.664   0.007   0.096  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        2.644  -0.628  -0.616  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  N   LIG    1        4.865   2.071   0.763  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        5.532   1.390   1.555  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        5.035   3.283   0.562  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5