REMARK  Name = BDB045362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.844   1.181   0.465  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.086   0.108  -0.417  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.402  -0.143  -0.856  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -3.478   0.651  -0.442  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -3.224   1.712   0.429  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.925   1.974   0.876  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.035  -0.827  -0.946  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.273  -0.567  -0.624  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.468   0.185   0.029  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.357  -1.786  -1.644  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.341  -1.455  -1.006  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.677  -0.876  -0.627  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.274  -1.202   0.598  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.500  -0.639   0.961  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.146   0.272   0.113  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        5.546   0.599  -1.112  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.320   0.036  -1.474  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1        7.480   0.863   0.496  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        8.526   0.097   0.081  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.633   1.007   1.843  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        7.689   2.101  -0.033  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   1  23
ATOM     22  C   LIG    1        0.692   2.469   1.780  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        0.445   1.392   0.883  0.00  0.00    -0.494 OA
ENDBRANCH   1  23
BRANCH   4  24
ATOM     24  C   LIG    1       -4.884   0.344  -0.905  0.00  0.00    +0.083 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.648  -0.509   0.057  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -5.837  -1.839   0.042  0.00  0.00    +0.204 A 
ATOM     27  N   LIG    1       -6.635  -2.308   1.035  0.00  0.00    -0.287 N 
ATOM     28  H   LIG    1       -6.849  -3.289   1.135  0.00  0.00    +0.172 HD
ATOM     29  C   LIG    1       -7.139  -1.379   1.904  0.00  0.00    +0.291 A 
ATOM     30  O   LIG    1       -7.868  -1.575   2.860  0.00  0.00    -0.260 OA
ATOM     31  S   LIG    1       -6.543   0.206   1.393  0.00  0.00    -0.028 S 
BRANCH  26  32
ATOM     32  O   LIG    1       -5.343  -2.764  -0.818  0.00  0.00    -0.493 OA
ATOM     33  H   LIG    1       -4.699  -2.340  -1.409  0.00  0.00    +0.294 HD
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8