REMARK  Name = BDB053883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.771  -0.624  -0.778  0.00  0.00    +0.125 C 
ATOM      2  C   LIG    1       -1.878  -0.199   0.210  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -3.254  -0.116  -0.418  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -3.849   1.096  -0.080  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -5.127   1.427  -0.505  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -5.807   0.509  -1.298  0.00  0.00    +0.159 A 
ATOM      7  C   LIG    1       -5.218  -0.708  -1.649  0.00  0.00    +0.159 A 
ATOM      8  F   LIG    1       -5.891  -1.583  -2.410  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -7.045   0.802  -1.722  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -2.925   1.876   0.772  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -3.936  -1.033  -1.211  0.00  0.00    +0.048 A 
ATOM     12  O   LIG    1       -1.674   1.171   0.654  0.00  0.00    -0.363 OA
ATOM     13  C   LIG    1       -1.906  -1.111   1.448  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -1.950  -2.600   1.103  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -1.279  -2.958  -0.144  0.00  0.00    -0.315 NA
ATOM     16  H   LIG    1       -0.923  -3.914  -0.089  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -0.214  -2.029  -0.510  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1        0.419   0.764  -2.275  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        0.345   0.377  -1.098  0.00  0.00    +0.224 C 
ATOM     20  N   LIG    1        1.300   0.789  -0.164  0.00  0.00    -0.294 N 
BRANCH  20  21
ATOM     21  C   LIG    1        1.314   0.452   1.247  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.725   1.388   2.273  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        2.192   1.117   2.285  0.00  0.00    +0.024 C 
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        2.404   1.631  -0.671  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.736   0.906  -0.738  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        4.945   1.514  -0.361  0.00  0.00    +0.046 A 
ATOM     27 CL   LIG    1        5.023   3.140   0.220  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        6.157   0.819  -0.461  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.184  -0.484  -0.956  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.002  -1.090  -1.365  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.792  -0.399  -1.265  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  19
TORSDOF 4