REMARK  Name = BDB065132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.540   0.684  -3.074  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.736  -0.183  -2.088  0.00  0.00    -0.005 C 
ATOM      3  C   LIG    1        1.765   0.316  -0.589  0.00  0.00    -0.025 C 
ATOM      4  C   LIG    1        1.402   1.815  -0.531  0.00  0.00    +0.012 C 
ATOM      5  C   LIG    1        0.765  -0.600   0.245  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -0.682  -0.778  -0.331  0.00  0.00    +0.092 C 
ATOM      7  C   LIG    1       -1.336  -1.958   0.425  0.00  0.00    +0.145 C 
ATOM      8  C   LIG    1       -0.871  -2.260   1.833  0.00  0.00    +0.075 C 
ATOM      9  C   LIG    1       -0.390  -1.003   2.528  0.00  0.00    +0.008 C 
ATOM     10  O   LIG    1       -2.190  -2.677  -0.105  0.00  0.00    -0.297 OA
ATOM     11  C   LIG    1       -0.578  -1.227  -1.811  0.00  0.00    +0.132 C 
ATOM     12  C   LIG    1        0.747  -0.315   1.769  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        0.313  -0.320  -2.650  0.00  0.00    +0.036 C 
ENDROOT
BRANCH  11  14
ATOM     14  O   LIG    1       -1.851  -1.268  -2.454  0.00  0.00    -0.391 OA
ATOM     15  H   LIG    1       -2.407  -1.877  -1.922  0.00  0.00    +0.210 HD
ENDBRANCH  11  14
BRANCH   3  16
ATOM     16  C   LIG    1        3.232   0.094  -0.035  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.727   1.048   1.067  0.00  0.00    +0.035 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.059   0.640   1.609  0.00  0.00    -0.026 C 
ATOM     19  C   LIG    1        5.235  -0.547   2.475  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1        6.627  -0.551   2.789  0.00  0.00    -0.457 OA
ATOM     21  C   LIG    1        7.226   0.510   2.183  0.00  0.00    +0.332 C 
ATOM     22  O   LIG    1        8.407   0.795   2.245  0.00  0.00    -0.246 OA
ATOM     23  C   LIG    1        6.221   1.268   1.439  0.00  0.00    +0.094 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
BRANCH   6  24
ATOM     24  C   LIG    1       -1.586   0.467  -0.161  0.00  0.00    +0.249 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.977   0.117  -0.242  0.00  0.00    -0.460 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.837   1.155  -0.114  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1       -3.523   2.315   0.100  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  C   LIG    1       -5.243   0.688  -0.256  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1       -5.569  -0.662  -0.465  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1       -6.907  -1.048  -0.589  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -7.910  -0.088  -0.504  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1       -9.191  -0.462  -0.623  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -7.604   1.252  -0.297  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1       -6.269   1.642  -0.173  0.00  0.00    +0.018 A 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 8