REMARK  Name = BDB050185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.197  -0.286  -0.038  0.00  0.00    +0.155 A 
ATOM      2  C   LIG    1        3.490  -1.604   0.326  0.00  0.00    +0.165 A 
ATOM      3  F   LIG    1        4.715  -1.925   0.769  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        2.532  -2.609   0.241  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.251  -2.306  -0.217  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        0.929  -0.994  -0.590  0.00  0.00    -0.043 A 
ATOM      7  C   LIG    1        1.911   0.011  -0.498  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.950   1.965  -0.233  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1        4.225   0.609   0.091  0.00  0.00    -0.492 OA
ENDBRANCH   1   9
BRANCH   6  10
ATOM     10  C   LIG    1       -0.460  -0.659  -1.081  0.00  0.00    +0.040 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.300   0.137  -0.064  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -1.593  -0.682   1.212  0.00  0.00    +0.084 C 
ATOM     13  N   LIG    1       -2.706  -0.184   2.032  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -3.532  -0.756   1.851  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -3.028   1.210   1.745  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -3.474   1.389   0.293  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -2.619   0.595  -0.699  0.00  0.00    +0.006 C 
ENDBRANCH  10  11
ENDBRANCH   6  10
TORSDOF 3