REMARK  Name = BDB051822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.970   1.209   0.242  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.930   2.548   0.616  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.905   3.337   0.261  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.960   3.096   1.372  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        4.052   2.304   1.736  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        4.141   0.962   1.323  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        3.077   0.419   0.583  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -4.476   0.052   1.259  0.00  0.00    +0.235 C 
ATOM      9  N   LIG    1       -3.211   0.354   0.762  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -2.086   0.292   1.702  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -0.842   1.052   1.222  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -0.415   0.642  -0.122  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.899   0.604  -0.572  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        1.233   0.051  -1.618  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -1.457   0.105  -1.000  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -2.858   0.618  -0.641  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -4.593  -0.275   2.449  0.00  0.00    -0.274 OA
BRANCH   8  18
ATOM     18  C   LIG    1       -5.757   0.127   0.339  0.00  0.00    +0.093 C 
ATOM     19  C   LIG    1       -5.892   1.579  -0.174  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -7.000  -0.139   1.231  0.00  0.00    +0.037 C 
BRANCH  18  22
ATOM     21  C   LIG    1       -6.706  -0.785  -1.778  0.00  0.00    +0.105 C 
ATOM     22  N   LIG    1       -5.641  -0.866  -0.777  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1       -5.503  -2.253  -0.319  0.00  0.00    +0.105 C 
ENDBRANCH  18  22
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  C   LIG    1        5.339   0.132   1.746  0.00  0.00    +0.090 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.784  -0.927   0.763  0.00  0.00    +0.046 A 
ATOM     26  N   LIG    1        6.485  -0.632  -0.435  0.00  0.00    -0.296 N 
ATOM     27  C   LIG    1        6.820  -1.665  -1.316  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        7.450  -1.140  -2.426  0.00  0.00    +0.054 A 
ATOM     29  C   LIG    1        7.551   0.246  -2.228  0.00  0.00    +0.078 A 
ATOM     30 CL   LIG    1        8.287   1.317  -3.323  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        6.506  -3.042  -1.021  0.00  0.00    +0.273 A 
ATOM     32  O   LIG    1        6.783  -3.992  -1.745  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        5.857  -3.230   0.180  0.00  0.00    -0.326 N 
ATOM     34  H   LIG    1        5.628  -4.194   0.396  0.00  0.00    +0.168 HD
ATOM     35  C   LIG    1        6.982   0.528  -1.008  0.00  0.00    +0.133 A 
ATOM     36 CL   LIG    1        6.911   2.056  -0.247  0.00  0.00    -0.062 Cl
ATOM     37  C   LIG    1        5.504  -2.220   1.038  0.00  0.00    +0.108 A 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5