REMARK  Name = BDB008484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.642   2.043  -1.343  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.203   1.005  -0.879  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.889  -0.178  -0.729  0.00  0.00    -0.264 N 
ATOM      4  C   LIG    1        1.072  -1.210  -0.187  0.00  0.00    +0.238 C 
ATOM      5  C   LIG    1       -0.239  -0.502  -0.024  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.188   0.792  -0.392  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.363  -1.275   0.388  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.604  -1.457  -0.300  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -3.394  -2.289   0.499  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.690  -2.679   0.139  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.191  -2.205  -1.077  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -4.433  -1.381  -1.901  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -6.782  -2.657  -1.562  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -2.655  -2.603   1.617  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -2.977  -3.197   2.369  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -3.137  -1.003  -1.526  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.427  -2.001   1.557  0.00  0.00    +0.092 A 
ENDBRANCH   5   7
BRANCH   6  18
ATOM     18  C   LIG    1       -1.245   1.810  -0.396  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1       -1.387   2.688  -1.482  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -2.396   3.656  -1.494  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.271   3.758  -0.416  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.515   4.946  -0.431  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -3.140   2.906   0.676  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.128   1.940   0.687  0.00  0.00    +0.010 A 
ENDBRANCH   6  18
BRANCH   4  25
ATOM     25  O   LIG    1        1.622  -1.596   1.049  0.00  0.00    -0.370 OA
ATOM     26  H   LIG    1        2.037  -0.789   1.399  0.00  0.00    +0.212 HD
ENDBRANCH   4  25
BRANCH   3  27
ATOM     27  C   LIG    1        3.245  -0.400  -1.188  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.260  -0.186  -0.090  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        4.604   1.114   0.311  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        5.527   1.318   1.339  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.107   0.223   1.975  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        7.242   0.472   3.244  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        5.771  -1.074   1.592  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        4.849  -1.278   0.563  0.00  0.00    +0.006 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 5