REMARK  Name = BDB050320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.105   0.101   1.418  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.901   0.466   0.799  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.299  -0.176   1.133  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1        0.293  -1.196   2.089  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.902  -1.563   2.710  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.094  -0.918   2.378  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.547   0.239   0.453  0.00  0.00    +0.091 C 
ATOM      8  C   LIG    1        2.881  -0.291   0.852  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.737   0.750   0.164  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.927   1.206  -0.932  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.571   1.065  -0.547  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        5.068   0.199  -0.295  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        6.172   0.234   0.574  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        7.403  -0.292   0.177  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        7.533  -0.859  -1.085  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        8.714  -1.364  -1.462  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        6.454  -0.910  -1.958  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.223  -0.385  -1.564  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.397   0.784   1.038  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.973   0.310  -0.305  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.413  -1.151  -0.211  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -4.021  -2.064  -0.923  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.358  -1.386   0.724  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -5.568  -2.336   0.615  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -5.049   1.192  -0.647  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -6.582   2.043  -2.265  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -5.470   1.046  -2.003  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8