REMARK  Name = BDB040079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.177  -1.075   0.162  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.187  -0.691   0.229  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.183  -1.206  -0.624  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.790  -2.138  -1.585  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.542  -2.540  -1.688  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.504  -2.017  -0.827  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.536  -0.783  -0.499  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.618  -1.208  -1.280  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -3.683  -1.991  -2.209  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -4.808  -0.508  -0.780  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.426   0.311   0.274  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.370   1.084   0.920  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -6.702   1.020   0.494  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -7.072   0.185  -0.576  0.00  0.00    +0.002 A 
ATOM     15 CL   LIG    1       -4.934   2.111   2.226  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -6.115  -0.594  -1.227  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.963   0.179   0.509  0.00  0.00    +0.151 C 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        2.283  -0.456   1.167  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        3.405  -1.383   1.705  0.00  0.00    +0.177 C 
ATOM     20  O   LIG    1        3.117  -1.013   3.076  0.00  0.00    -0.378 OA
ATOM     21  C   LIG    1        1.865  -0.421   2.665  0.00  0.00    +0.177 C 
BRANCH  18  22
ATOM     22  C   LIG    1        2.782   0.908   0.661  0.00  0.00    +0.248 C 
ATOM     23  F   LIG    1        3.319   1.603   1.711  0.00  0.00    -0.236 F 
BRANCH  22  26
ATOM     24  C   LIG    1        4.680   3.190  -0.200  0.00  0.00    +0.151 C 
ATOM     25  N   LIG    1        4.611   1.883  -0.795  0.00  0.00    -0.318 N 
ATOM     26  C   LIG    1        3.784   0.844  -0.445  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1        4.053  -0.178  -1.234  0.00  0.00    -0.132 NA
ATOM     28  N   LIG    1        5.051   0.191  -2.100  0.00  0.00    -0.138 NA
ATOM     29  C   LIG    1        5.378   1.431  -1.823  0.00  0.00    +0.224 A 
ENDBRANCH  22  26
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4