REMARK  Name = BDB045878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.836  -0.736  -0.075  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1        0.716  -2.151   0.062  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.653  -2.401   0.111  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.171  -3.700   0.254  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.266  -4.761   0.339  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.106  -4.537   0.278  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.263  -1.165  -0.018  0.00  0.00    -0.195 N 
ATOM      8  C   LIG    1       -2.637  -0.847  -0.020  0.00  0.00    +0.281 C 
ATOM      9  O   LIG    1       -3.467  -1.730   0.188  0.00  0.00    -0.265 OA
ATOM     10  C   LIG    1        1.611  -3.240   0.137  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.366  -0.149  -0.131  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -3.141   0.527  -0.223  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -3.730   1.216   0.855  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -4.225   2.514   0.634  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -4.130   3.109  -0.624  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.551   2.413  -1.684  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -3.062   1.119  -1.490  0.00  0.00    +0.054 A 
ATOM     18 CL   LIG    1       -2.418   0.292  -2.865  0.00  0.00    -0.083 Cl
BRANCH  13  19
ATOM     19  C   LIG    1       -3.854   0.587   2.220  0.00  0.00    +0.418 C 
ATOM     20  F   LIG    1       -2.749  -0.115   2.591  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -4.909  -0.264   2.316  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -4.040   1.511   3.207  0.00  0.00    -0.166 F 
ENDBRANCH  13  19
ENDBRANCH   8  12
BRANCH   1  26
ATOM     23  C   LIG    1        4.382   1.639  -0.347  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        4.297   0.611   0.599  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.138  -0.168   0.693  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        2.054   0.069  -0.162  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        2.141   1.108  -1.101  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        3.298   1.888  -1.196  0.00  0.00    +0.015 A 
BRANCH  23  30
ATOM     29  O   LIG    1        6.612   2.279   0.294  0.00  0.00    -0.245 OA
ATOM     30  C   LIG    1        5.630   2.437  -0.408  0.00  0.00    +0.337 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.591   3.398  -1.347  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        6.466   3.835  -1.273  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH   1  26
TORSDOF 5