REMARK  Name = BDB051788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.252   0.965   0.665  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -2.214   0.071   0.360  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.449   0.252  -0.798  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.728   1.302  -1.666  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -1.024   1.469  -2.794  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -2.739   2.209  -1.364  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -3.492   2.047  -0.199  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.414  -0.739  -1.125  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        0.925  -0.364  -1.106  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        1.431   0.938  -0.651  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1        2.852   1.234  -1.150  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        3.817   0.164  -0.857  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        5.161   0.505  -0.873  0.00  0.00    +0.236 C 
ATOM     14  O   LIG    1        5.494   1.669  -1.146  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        3.240  -1.169  -0.645  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        1.934  -1.378  -1.423  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.796  -1.885  -1.355  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1        6.289  -0.556  -0.603  0.00  0.00    +0.093 C 
ATOM     19  N   LIG    1        7.578   0.170  -0.373  0.00  0.00    -0.303 NA
ATOM     20  H   LIG    1        7.580   0.999  -0.977  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1        7.582   0.604   1.026  0.00  0.00    +0.082 C 
ATOM     22  C   LIG    1        6.681  -0.367   1.767  0.00  0.00    +0.017 C 
ATOM     23  C   LIG    1        6.179  -1.333   0.705  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1        6.493  -1.440  -1.833  0.00  0.00    +0.037 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1       -4.075   0.776   1.920  0.00  0.00    +0.092 C 
BRANCH  25  35
ATOM     26  C   LIG    1       -5.438  -1.606   0.722  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -6.256  -0.388   1.033  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1       -7.578  -0.268   0.796  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -8.460  -1.285   0.130  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -8.292   0.977   1.203  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -9.498   1.120   1.024  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -7.532   1.947   1.792  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -8.008   2.798   2.074  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -6.199   1.886   2.022  0.00  0.00    -0.175 NA
ATOM     35  C   LIG    1       -5.583   0.797   1.670  0.00  0.00    +0.069 A 
ENDBRANCH  25  35
ENDBRANCH   1  25
TORSDOF 4