REMARK  Name = BDB004060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.191  -1.065   0.164  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.135  -1.010   0.390  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        1.808  -2.162   0.594  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        1.149  -3.379   0.589  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        1.794  -4.537   0.784  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -0.200  -3.350   0.359  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -0.886  -2.212   0.145  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -0.795   0.170  -0.049  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -0.084   0.886  -0.019  0.00  0.00    +0.155 HD
BRANCH   8  13
ATOM     10  C   LIG    1       -4.702   1.550  -0.910  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1       -3.631   2.439  -0.789  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.348   1.954  -0.505  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -2.099   0.580  -0.343  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -3.182  -0.294  -0.477  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -4.469   0.181  -0.764  0.00  0.00    +0.015 A 
BRANCH  10  19
ATOM     16  N   LIG    1       -6.404   3.299  -0.897  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -7.384   3.537  -0.986  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -5.858   3.838  -0.242  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -6.084   2.007  -1.212  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1       -6.923   1.254  -1.690  0.00  0.00    -0.270 OA
ENDBRANCH  10  19
ENDBRANCH   8  13
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  N   LIG    1        3.199  -2.159   0.860  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1        3.655  -2.943   0.395  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.082  -1.064   1.012  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        5.445  -1.199   0.674  0.00  0.00    +0.062 A 
ATOM     25 CL   LIG    1        6.042  -2.683   0.010  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.347  -0.145   0.849  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.906   1.063   1.382  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.570   1.211   1.745  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        3.670   0.155   1.567  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5