REMARK  Name = BDB050693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.158   1.412  -0.823  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.046   2.919  -2.733  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.542   2.635  -1.653  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.494   3.408  -1.071  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.767   3.024  -0.208  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -0.996   1.360   0.348  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -1.965   0.393   0.344  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.732   0.052  -0.773  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -3.724  -0.927  -0.663  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -3.956  -1.549   0.563  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -5.178  -2.752   0.695  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -3.209  -1.194   1.684  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.219  -0.216   1.574  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1        1.305   1.578  -0.380  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.872   0.327   0.270  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1        2.546  -0.678  -0.464  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1        3.027  -1.812   0.218  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        2.844  -1.959   1.593  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.180  -0.972   2.311  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        1.700   0.161   1.657  0.00  0.00    +0.004 A 
BRANCH  16  21
ATOM     21  C   LIG    1        2.790  -0.567  -1.955  0.00  0.00    +0.418 C 
ATOM     22  F   LIG    1        3.305  -1.698  -2.512  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        3.660   0.431  -2.268  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        1.648  -0.305  -2.650  0.00  0.00    -0.166 F 
ENDBRANCH  16  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 7