REMARK  Name = BDB017719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.034  -1.495  -0.650  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.593  -0.379  -1.289  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.818   0.144  -0.861  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.524  -0.425   0.209  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -4.809   0.188   0.615  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -5.512  -0.341   1.688  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -5.235  -1.285   1.958  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.902   0.004   1.933  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.087   1.501   1.706  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.582   1.918   0.319  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.282   1.256  -0.058  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.537   1.838  -1.206  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.968   2.797  -1.841  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.959  -1.549   0.825  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -3.589  -2.168   1.837  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -3.345   1.254  -1.528  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.849   1.669  -2.305  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.736  -2.081   0.408  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        0.287  -2.071  -1.115  0.00  0.00    +0.120 C 
BRANCH  19  23
ATOM     20  N   LIG    1        3.905   0.152  -0.677  0.00  0.00    -0.309 N 
ATOM     21  C   LIG    1        3.691  -1.320  -0.722  0.00  0.00    +0.090 C 
ATOM     22  C   LIG    1        2.600  -1.602  -1.787  0.00  0.00    +0.107 C 
ATOM     23  N   LIG    1        1.349  -1.064  -1.171  0.00  0.00    -0.292 NA
ATOM     24  C   LIG    1        1.812  -0.597   0.173  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        2.899  -1.595   0.554  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        2.684   0.689  -0.013  0.00  0.00    +0.125 C 
BRANCH  20  30
ATOM     27  C   LIG    1        7.614   1.458   0.709  0.00  0.00    +0.070 A 
ATOM     28  C   LIG    1        6.421   1.803   1.316  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        5.204   1.385   0.887  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1        5.138   0.578  -0.194  0.00  0.00    +0.122 A 
ATOM     31  C   LIG    1        6.305   0.201  -0.864  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        7.552   0.637  -0.410  0.00  0.00    +0.024 A 
BRANCH  27  34
ATOM     33  N   LIG    1        9.871   2.321   1.635  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        8.858   1.936   1.218  0.00  0.00    +0.101 C 
ENDBRANCH  27  34
ENDBRANCH  20  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4