REMARK  Name = BDB033129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   0.088   0.389  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.649   0.408  -0.820  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.428   0.080  -1.977  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.755   1.109  -0.354  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.738   1.232   1.083  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.268   1.090   1.429  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.374  -0.411   2.137  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.620  -0.134   0.966  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.638   0.210   0.071  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -1.897   0.264  -0.914  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.030  -0.161   0.463  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -4.396  -0.004  -0.883  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -5.740  -0.050  -1.265  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -6.734  -0.255  -0.306  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -6.399  -0.410   1.046  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -5.044  -0.369   1.416  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -7.464  -0.654   2.088  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -7.580  -1.970   2.411  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -7.225   0.004   3.256  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -8.704  -0.257   1.686  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -3.446   0.190  -1.850  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -3.872   0.236  -2.724  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        2.933   1.374  -1.153  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.001   0.324  -0.961  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.114   0.572  -0.145  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        6.102  -0.409   0.049  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.952  -1.656  -0.574  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.846  -1.914  -1.383  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.876  -0.930  -1.575  0.00  0.00    +0.005 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.283  -0.131   0.946  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        8.351  -0.940   0.704  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.749   1.145   0.826  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        6.980  -0.293   2.264  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7