REMARK  Name = BDB063230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.444   0.033  -0.937  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.493  -0.190  -0.003  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.738  -0.515  -0.441  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.987  -0.650  -1.791  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1        0.028  -0.423  -2.704  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.203  -0.071  -2.261  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.878   0.655  -1.311  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1       -2.763   0.391  -0.510  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.188   0.541   0.813  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -4.535   0.880   0.718  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -5.289   1.107   1.880  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -4.670   0.989   3.127  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.323   0.650   3.215  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.557   0.420   2.065  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -4.938   0.944  -0.582  0.00  0.00    -0.232 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -4.176  -0.774  -3.343  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -3.929   0.628  -2.808  0.00  0.00    +0.071 C 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        1.695  -0.755   0.548  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        1.264  -0.666   1.463  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.086  -0.558   0.577  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        3.780   0.228  -0.349  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        5.173   0.358  -0.284  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        5.909  -0.307   0.705  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        5.219  -1.089   1.639  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.827  -1.214   1.570  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        7.408  -0.149   0.788  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        7.774   0.906   1.566  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.990   0.060  -0.425  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        8.031  -1.238   1.317  0.00  0.00    -0.166 F 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5