REMARK  Name = BDB038768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.793  -0.940   0.387  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1       -1.340  -0.544  -0.850  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -2.021  -0.075  -1.455  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -0.008  -0.115  -1.029  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.957  -0.282  -0.008  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.310   0.095  -0.218  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1        2.656   0.606  -1.484  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        1.702   0.742  -2.487  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        2.069   1.223  -3.682  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        0.468  -0.855   1.287  0.00  0.00    +0.190 A 
ATOM     11  O   LIG    1        1.208  -1.123   2.227  0.00  0.00    -0.287 OA
ATOM     12  C   LIG    1        0.382   0.382  -2.275  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -0.983  -1.112   1.440  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.242  -0.215   0.451  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1       -3.240  -1.204   0.544  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -3.632  -2.533   0.801  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -4.979  -2.869   0.974  0.00  0.00    +0.053 A 
ATOM     18  C   LIG    1       -5.955  -1.874   0.890  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -5.592  -0.550   0.626  0.00  0.00    +0.029 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.231   2.464   0.105  0.00  0.00    +0.200 C 
ATOM     21  S   LIG    1       -3.772   1.464   0.081  0.00  0.00    -0.005 S 
ATOM     22  O   LIG    1       -3.292   1.437  -1.290  0.00  0.00    -0.170 OA
ATOM     23  O   LIG    1       -2.933   1.911   1.174  0.00  0.00    -0.170 OA
ENDBRANCH  14  21
BRANCH  17  24
ATOM     24  C   LIG    1       -5.357  -4.228   1.236  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1       -5.671  -5.324   1.447  0.00  0.00    -0.191 NA
ENDBRANCH  17  24
ENDBRANCH   1  15
BRANCH   6  26
ATOM     26  C   LIG    1        3.351  -0.054   0.882  0.00  0.00    +0.071 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.748   0.461   0.591  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        5.071   1.807   0.825  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.352   2.285   0.542  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.315   1.422   0.022  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        8.893   2.013  -0.328  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        7.008   0.084  -0.217  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.727  -0.396   0.066  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 5