REMARK  Name = BDB034499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.534  -0.842   4.088  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        1.725  -0.360   2.979  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.349  -0.294   3.226  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.152  -0.490   4.332  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.582  -0.028   2.116  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -0.688  -0.956   1.078  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.567  -0.677   0.032  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -2.369   0.478   0.018  0.00  0.00    +0.090 A 
ATOM      9  N   LIG    1       -3.254   0.790  -1.038  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -3.329   0.002  -2.077  0.00  0.00    +0.142 A 
ATOM     11  C   LIG    1       -2.517  -1.179  -2.128  0.00  0.00    +0.106 A 
ATOM     12  C   LIG    1       -2.322  -2.166  -3.066  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1       -1.410  -3.091  -2.619  0.00  0.00    -0.243 NA
ATOM     14  C   LIG    1       -1.052  -2.670  -1.423  0.00  0.00    +0.204 A 
ATOM     15  C   LIG    1       -2.282   1.359   1.099  0.00  0.00    +0.030 A 
ATOM     16  N   LIG    1       -1.682  -1.502  -1.092  0.00  0.00    -0.294 N 
ATOM     17  C   LIG    1       -1.398   1.107   2.153  0.00  0.00    +0.015 A 
BRANCH  10  18
ATOM     18  N   LIG    1       -4.207   0.349  -3.064  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1       -4.865   1.052  -2.748  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -4.648  -0.420  -3.552  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.446   0.494   2.010  0.00  0.00    +0.166 C 
ATOM     22  C   LIG    1        2.143   0.329   0.554  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        1.665   1.520   0.050  0.00  0.00    +0.144 A 
ATOM     24  C   LIG    1        1.328   1.616  -1.282  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        1.522   0.487  -2.090  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        2.023  -0.675  -1.493  0.00  0.00    +0.123 A 
ATOM     27  O   LIG    1        1.549   2.529   0.960  0.00  0.00    -0.488 OA
ATOM     28  N   LIG    1        2.340  -0.787  -0.177  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1        2.184   2.009   2.157  0.00  0.00    +0.258 C 
BRANCH  25  30
ATOM     30  C   LIG    1        1.187   0.506  -3.550  0.00  0.00    +0.419 C 
ATOM     31  F   LIG    1        1.760  -0.512  -4.249  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -0.150   0.418  -3.781  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        1.598   1.651  -4.165  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH   2  21
TORSDOF 4