REMARK  Name = BDB051820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.185  -1.305  -0.991  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.314  -2.120   0.127  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.750  -2.743   0.651  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.558  -2.295   0.727  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.687  -1.662   0.194  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.580  -0.840  -0.941  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.314  -0.680  -1.534  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.132  -1.607  -2.853  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.097  -1.180  -1.698  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.179  -0.574  -1.077  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.168   0.111   0.220  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.466  -0.121   1.022  0.00  0.00    +0.125 C 
ATOM     13  N   LIG    1        4.678   0.138   0.225  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1        4.483   0.435  -1.202  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1        3.448  -0.529  -1.811  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        5.740   0.787   0.849  0.00  0.00    +0.121 A 
ATOM     17  N   LIG    1        6.416   1.742   0.172  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        7.460   2.352   0.780  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1        7.890   2.058   2.060  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        7.210   1.071   2.753  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        6.131   0.430   2.142  0.00  0.00    +0.043 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1       -3.758  -0.143  -1.599  0.00  0.00    +0.090 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.100  -0.257  -0.919  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1       -5.482   0.544   0.186  0.00  0.00    -0.296 N 
ATOM     25  C   LIG    1       -6.763   0.409   0.731  0.00  0.00    +0.114 A 
ATOM     26  C   LIG    1       -6.911   1.288   1.785  0.00  0.00    +0.054 A 
ATOM     27  C   LIG    1       -5.698   1.987   1.915  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -5.401   3.179   3.090  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -7.718  -0.532   0.196  0.00  0.00    +0.273 A 
ATOM     30  O   LIG    1       -8.855  -0.696   0.627  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -7.252  -1.264  -0.874  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -7.915  -1.925  -1.266  0.00  0.00    +0.168 HD
ATOM     33  C   LIG    1       -4.848   1.522   0.938  0.00  0.00    +0.133 A 
ATOM     34 CL   LIG    1       -3.239   2.028   0.653  0.00  0.00    -0.062 Cl
ATOM     35  C   LIG    1       -5.999  -1.133  -1.417  0.00  0.00    +0.108 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4