REMARK  Name = BDB051851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.767   0.264  -0.429  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.667   1.586  -0.851  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.644   2.159  -1.569  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.457   2.343  -0.533  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.501   1.767   0.195  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.431   0.427   0.606  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.289  -0.323   0.280  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.675  -1.643  -1.355  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.923  -0.575  -0.795  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        3.225  -0.161  -0.492  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        4.300  -0.970  -1.071  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        5.710  -0.359  -1.083  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1        6.405  -0.422   0.207  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        6.271  -1.345   0.620  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.976   0.604   1.146  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1        4.509   0.520   1.559  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        3.547   0.921   0.444  0.00  0.00    +0.109 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -2.580  -0.224   1.349  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.700  -0.661   0.437  0.00  0.00    +0.044 A 
ATOM     20  N   LIG    1       -4.849   0.132   0.275  0.00  0.00    -0.314 N 
ATOM     21  C   LIG    1       -5.887  -0.256  -0.555  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -6.868   0.713  -0.523  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1       -6.430   1.724   0.360  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.822  -1.504  -1.279  0.00  0.00    +0.273 A 
ATOM     25  O   LIG    1       -6.694  -1.921  -2.035  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.668  -2.233  -1.053  0.00  0.00    -0.326 N 
ATOM     27  H   LIG    1       -4.606  -3.108  -1.559  0.00  0.00    +0.168 HD
ATOM     28  C   LIG    1       -5.196   1.341   0.840  0.00  0.00    +0.092 A 
ATOM     29  C   LIG    1       -3.642  -1.834  -0.227  0.00  0.00    +0.108 A 
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3