REMARK  Name = BDB042542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.054  -0.032   1.972  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.365   0.668   1.229  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.883   0.249   0.776  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.614   0.904  -0.319  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        3.131   0.627  -0.297  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1        3.397  -0.825  -0.172  0.00  0.00    -0.325 N 
ATOM      7  C   LIG    1        2.761  -1.395   1.038  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1        1.241  -1.159   1.000  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.741  -1.168  -0.422  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        5.632  -1.709   0.529  0.00  0.00    +0.147 A 
ATOM     11  F   LIG    1        5.248  -1.908   1.799  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        6.948  -2.038   0.208  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        7.400  -1.837  -1.085  0.00  0.00    +0.126 A 
ATOM     14  F   LIG    1        8.662  -2.151  -1.401  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        6.559  -1.318  -2.059  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        5.241  -0.990  -1.727  0.00  0.00    +0.029 A 
ENDBRANCH   6   9
BRANCH   2  17
ATOM     17  C   LIG    1       -0.817   2.060   0.807  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.237   2.397   1.273  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.300   1.759   0.411  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.560   2.350  -0.805  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.054   3.181  -1.088  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.497   1.909  -1.715  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -4.675   2.480  -2.784  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.273   0.706  -1.329  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.016   0.106  -0.085  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -5.740  -1.031   0.289  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.708  -1.554  -0.571  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.948  -0.942  -1.799  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -7.879  -1.453  -2.615  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.241   0.186  -2.191  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -3.995   0.676   0.796  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4