REMARK  Name = BDB051840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.159  -1.739   0.362  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.134  -2.941  -0.335  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.184  -3.335  -1.069  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.005  -3.749  -0.286  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.103  -3.349   0.468  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.097  -2.132   1.174  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.063  -1.342   1.137  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -3.032  -0.871   1.374  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.359  -0.892   0.346  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.635  -0.128  -0.790  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -1.908  -0.255  -2.056  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -1.856   1.062  -2.824  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -3.243   1.675  -2.980  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1       -3.904   1.835  -1.616  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -3.947   0.511  -0.862  0.00  0.00    +0.108 C 
ENDBRANCH   1   9
BRANCH   6  16
ATOM     16  C   LIG    1        2.311  -1.755   2.005  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.545  -0.273   2.193  0.00  0.00    +0.046 A 
ATOM     18  N   LIG    1        3.026   0.575   1.162  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1        3.166   1.946   1.400  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        3.597   2.573   0.249  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        3.766   1.577  -0.727  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1        4.307   1.871  -2.311  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        2.871   2.523   2.688  0.00  0.00    +0.273 A 
ATOM     24  O   LIG    1        2.982   3.714   2.959  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        2.443   1.615   3.632  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.226   2.009   4.541  0.00  0.00    +0.168 HD
ATOM     27  C   LIG    1        3.436   0.375  -0.147  0.00  0.00    +0.133 A 
ATOM     28 CL   LIG    1        3.535  -1.168  -0.875  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1        2.279   0.273   3.400  0.00  0.00    +0.108 A 
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 3