REMARK  Name = BDB003596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.215  -0.314  -0.120  0.00  0.00    +0.213 A 
ATOM      2  N   LIG    1        1.663   0.962  -0.052  0.00  0.00    -0.336 N 
ATOM      3  H   LIG    1        2.259   1.780  -0.048  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.274   1.121   0.012  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.524  -0.031   0.005  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -1.931   0.071   0.068  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -2.513   1.347   0.137  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.713   2.493   0.144  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.695  -1.106   0.058  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.072  -2.354  -0.012  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.680  -2.441  -0.073  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        0.103  -1.286  -0.065  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1       -0.323   2.381   0.082  0.00  0.00    +0.026 A 
ATOM     14  N   LIG    1        1.509  -1.418  -0.129  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     15  F   LIG    1        4.324   0.831  -0.168  0.00  0.00    -0.163 F 
ATOM     16  C   LIG    1        3.754  -0.412  -0.188  0.00  0.00    +0.450 C 
ATOM     17  F   LIG    1        4.290  -1.091   0.862  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1        4.198  -1.014  -1.323  0.00  0.00    -0.163 F 
ENDBRANCH   1  16
TORSDOF 1