REMARK  Name = BDB004485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.480  -3.291  -1.598  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.871  -2.397  -0.872  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.334  -1.132  -0.704  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.098  -0.328   0.234  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.194  -1.270   0.658  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.233  -1.093   1.560  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.119  -2.156   1.768  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.959  -3.376   1.085  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.908  -3.553   0.185  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.047  -2.488  -0.003  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.631   0.973  -0.355  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.455   2.200   0.312  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.948   3.392  -0.228  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.631   3.372  -1.440  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.237   4.838  -2.105  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.828   2.171  -2.117  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.334   0.980  -1.577  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.291  -0.105   1.373  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.447  -0.729   1.277  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        0.814  -0.650  -1.457  0.00  0.00    +0.147 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.096  -0.688  -0.652  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1        2.727   0.476  -0.124  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1        3.910   0.315   0.645  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.561   1.436   1.186  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        4.065   2.722   0.985  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.912   2.902   0.237  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.435  -0.966   0.870  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        3.814  -2.096   0.350  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.254   1.797  -0.310  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1        2.655  -1.958  -0.403  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4