REMARK  Name = BDB039593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.111  -0.997   0.103  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.548  -2.356   0.066  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.197  -2.402   0.816  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.842  -1.512   0.254  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.240  -0.298  -0.342  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.147   0.111   0.211  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.216  -0.263  -0.057  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.423   0.714   0.444  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.097   0.439   0.481  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.337   1.412   1.014  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.478  -0.758   0.052  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.366  -1.721  -0.451  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.741  -1.483  -0.509  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.391   1.715   0.486  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.025   1.292   0.339  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.270   1.851   0.730  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.684   0.030  -0.101  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.491  -0.806  -0.491  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.856  -1.208   1.273  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.134  -0.646   0.684  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.685   0.547   1.179  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -4.871   1.048   0.638  0.00  0.00    +0.069 A 
ATOM     23  N   LIG    1       -5.406   2.248   1.142  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1       -4.943   2.749   1.889  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -6.570   2.824   0.677  0.00  0.00    +0.275 A 
ATOM     26  C   LIG    1       -7.211   2.102  -0.378  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1       -6.707   0.928  -0.885  0.00  0.00    -0.290 N 
ATOM     28  C   LIG    1       -7.568   0.520  -1.870  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -8.576   1.356  -2.015  0.00  0.00    -0.243 NA
ATOM     30  C   LIG    1       -8.362   2.345  -1.089  0.00  0.00    +0.144 A 
ATOM     31  O   LIG    1       -6.984   3.873   1.159  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -5.520   0.357  -0.397  0.00  0.00    +0.107 A 
ATOM     33  C   LIG    1       -4.985  -0.828  -0.884  0.00  0.00    +0.149 A 
ATOM     34  F   LIG    1       -5.576  -1.517  -1.868  0.00  0.00    -0.203 F 
ATOM     35  C   LIG    1       -3.802  -1.330  -0.347  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4