REMARK  Name = BDB051811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.774  -0.236  -0.284  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.749   1.153  -0.241  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.801   1.878  -0.650  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.370   1.820   0.245  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.488   1.094   0.669  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.506  -0.308   0.585  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.355  -0.965   0.112  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.689   0.489  -0.110  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1       -4.624   0.875   0.931  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1       -3.479  -0.135   1.010  0.00  0.00    +0.109 C 
ATOM     11  N   LIG    1       -3.206  -0.743  -0.287  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -1.938  -0.966  -0.820  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -1.726  -1.769  -1.727  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -4.323  -1.446  -0.917  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -5.687  -1.016  -0.376  0.00  0.00    +0.037 C 
BRANCH   8  16
ATOM     16  N   LIG    1       -7.018   0.942   0.305  0.00  0.00    -0.327 NA
ATOM     17  H   LIG    1       -7.280   0.505   1.187  0.00  0.00    +0.118 HD
ATOM     18  H   LIG    1       -6.999   1.947   0.477  0.00  0.00    +0.118 HD
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1        2.689  -1.145   1.038  0.00  0.00    +0.090 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.042  -0.474   0.982  0.00  0.00    +0.046 A 
ATOM     21  N   LIG    1        4.747  -0.249  -0.229  0.00  0.00    -0.296 N 
ATOM     22  C   LIG    1        5.979   0.413  -0.201  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1        6.457   0.552  -1.489  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1        5.525  -0.057  -2.345  0.00  0.00    +0.078 A 
ATOM     25 CL   LIG    1        5.699  -0.152  -4.032  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        6.575   0.848   1.038  0.00  0.00    +0.273 A 
ATOM     27  O   LIG    1        7.651   1.430   1.128  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        5.830   0.555   2.159  0.00  0.00    -0.326 N 
ATOM     29  H   LIG    1        6.242   0.852   3.037  0.00  0.00    +0.168 HD
ATOM     30  C   LIG    1        4.509  -0.549  -1.561  0.00  0.00    +0.133 A 
ATOM     31 CL   LIG    1        3.147  -1.433  -2.094  0.00  0.00    -0.062 Cl
ATOM     32  C   LIG    1        4.614  -0.076   2.139  0.00  0.00    +0.108 A 
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4