REMARK  Name = BDB051804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.044   1.248  -2.512  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.573   1.026  -3.735  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.550   1.833  -4.172  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.197  -0.062  -4.512  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.796  -0.934  -4.052  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.422  -0.730  -2.808  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.058   0.397  -2.055  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.182   3.466  -1.889  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.357   2.385  -1.675  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.269   2.143  -0.650  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        2.009   0.883  -0.508  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        2.931   0.873   0.711  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        2.159   1.436   1.900  0.00  0.00    +0.023 C 
ATOM     14  N   LIG    1        2.921   1.272   3.172  0.00  0.00    -0.310 NA
ATOM     15  H   LIG    1        3.363   2.112   3.542  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        1.679   0.874   3.865  0.00  0.00    +0.083 C 
ATOM     17  C   LIG    1        1.103   0.462   2.504  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1        1.680   2.881   1.677  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        1.694   3.253   0.192  0.00  0.00    +0.110 C 
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1       -2.490  -1.707  -2.350  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.719  -1.778  -0.856  0.00  0.00    +0.046 A 
ATOM     22  N   LIG    1       -1.791  -2.365   0.043  0.00  0.00    -0.296 N 
ATOM     23  C   LIG    1       -2.039  -2.328   1.418  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -0.983  -2.904   2.095  0.00  0.00    +0.054 A 
ATOM     25  C   LIG    1       -0.061  -3.339   1.129  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1        1.403  -4.122   1.488  0.00  0.00    -0.080 Cl
ATOM     27  C   LIG    1       -3.246  -1.745   1.953  0.00  0.00    +0.273 A 
ATOM     28  O   LIG    1       -3.519  -1.686   3.147  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.101  -1.239   0.999  0.00  0.00    -0.326 N 
ATOM     30  H   LIG    1       -4.952  -0.822   1.362  0.00  0.00    +0.168 HD
ATOM     31  C   LIG    1       -0.581  -3.025  -0.104  0.00  0.00    +0.133 A 
ATOM     32 CL   LIG    1        0.104  -3.401  -1.624  0.00  0.00    -0.062 Cl
ATOM     33  C   LIG    1       -3.851  -1.245  -0.349  0.00  0.00    +0.108 A 
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 3