REMARK  Name = BDB047592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.127  -0.231   0.434  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.424  -0.956   1.484  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.576  -0.582   2.056  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.209  -2.107   1.941  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.408  -2.522   1.355  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.995  -1.780   0.316  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.333  -0.633  -0.152  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.105   1.105  -0.453  0.00  0.00    -0.301 NA
ATOM      9  C   LIG    1        3.325   2.320  -0.770  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.014   2.154  -1.568  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        1.255   0.959  -1.219  0.00  0.00    -0.296 N 
ATOM     12  C   LIG    1        0.532   0.996  -0.028  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        0.364   2.012   0.643  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.641  -0.261  -1.923  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        2.975  -0.842  -1.464  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        4.159   0.130  -1.543  0.00  0.00    +0.086 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.429   1.462   0.077  0.00  0.00    +0.084 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.020  -0.839   1.083  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        5.806   0.646   1.322  0.00  0.00    +0.012 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  C   LIG    1       -3.285  -2.259  -0.314  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.263  -1.144  -0.661  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -5.042  -0.475   0.413  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.918   0.537   0.026  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -6.688   1.219   0.976  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -6.577   0.884   2.325  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.702  -0.127   2.720  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.028   0.886  -1.400  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -6.792   1.762  -1.789  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.230   0.172  -2.260  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -5.292   0.401  -3.247  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -4.935  -0.808   1.769  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -4.367  -0.821  -1.917  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5