REMARK  Name = BDB002043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.251   0.205  -1.914  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.500   0.088  -0.713  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1        0.590   0.056   0.174  0.00  0.00    -0.176 N 
ATOM      4  C   LIG    1        1.950   0.054  -0.099  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1        2.534   0.044   1.162  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        3.932   0.034   1.282  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.705   0.035   0.115  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.099   0.046  -1.143  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.565   0.046   2.122  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1        2.706   0.055  -1.279  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        0.387   0.065   1.517  0.00  0.00    -0.057 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -1.933   0.011  -0.316  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -2.374  -0.786   0.745  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -3.732  -0.831   1.044  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1       -4.155  -1.595   2.060  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -4.662  -0.107   0.305  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -4.231   0.674  -0.764  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -2.870   0.728  -1.078  0.00  0.00    +0.013 A 
ENDBRANCH   2  12
TORSDOF 1