REMARK  Name = BDB040488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.831   0.670   2.102  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.216  -0.430   0.909  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        2.747   0.897   0.800  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.706   2.186   0.151  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        1.446   1.246   1.192  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.568   0.289   1.703  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1        1.003  -1.035   1.785  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.302  -1.390   1.395  0.00  0.00    +0.047 A 
ATOM      9 CL   LIG    1        2.693  -3.074   1.511  0.00  0.00    -0.083 Cl
BRANCH   2  16
ATOM     10  O   LIG    1        8.364  -0.242  -1.190  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        7.235  -0.387  -0.729  0.00  0.00    +0.219 C 
ATOM     12  N   LIG    1        6.862   0.226   0.439  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.579   0.776   0.893  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        5.721   0.012   1.175  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1        5.639   0.428   2.329  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        4.636  -0.835   0.513  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1        4.803  -0.894  -1.009  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.222  -1.312  -1.358  0.00  0.00    +0.097 C 
ENDBRANCH   2  16
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  N   LIG    1       -1.697   0.699   0.946  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.453   0.123   0.153  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.984   1.192   1.049  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1       -3.396   1.691   2.097  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.857   1.029  -0.274  0.00  0.00    +0.083 C 
ATOM     24  C   LIG    1       -3.205   1.544  -1.605  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -3.839   2.921  -1.321  0.00  0.00    +0.251 C 
ATOM     26  F   LIG    1       -4.290   3.587  -2.405  0.00  0.00    -0.206 F 
ATOM     27  F   LIG    1       -3.055   3.778  -0.631  0.00  0.00    -0.206 F 
ATOM     28  C   LIG    1       -4.908   2.179  -0.497  0.00  0.00    +0.096 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -4.451  -0.463  -0.257  0.00  0.00    -0.026 A 
ATOM     30  C   LIG    1       -5.491  -0.829   0.617  0.00  0.00    +0.063 A 
ATOM     31  C   LIG    1       -5.982  -2.126   0.618  0.00  0.00    +0.213 A 
ATOM     32  F   LIG    1       -6.972  -2.433   1.468  0.00  0.00    -0.184 F 
ATOM     33  N   LIG    1       -5.522  -3.102  -0.184  0.00  0.00    -0.228 NA
ATOM     34  C   LIG    1       -4.527  -2.763  -1.023  0.00  0.00    +0.114 A 
ATOM     35  C   LIG    1       -3.973  -1.490  -1.091  0.00  0.00    +0.024 A 
ENDBRANCH  23  29
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 5