REMARK  Name = BDB034770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.601  -4.599   0.876  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.683  -3.168   0.927  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -0.380  -2.287   0.698  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.109  -0.985   0.801  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.705   0.113   0.608  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.061  -0.108   0.307  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.538  -1.437   0.204  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        1.476  -1.062   1.105  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1       -1.699  -2.542   0.402  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        1.858  -2.422   1.160  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.982  -2.858   1.352  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.879   1.017   0.073  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.688   1.781   0.721  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.119   1.157  -0.592  0.00  0.00    +0.056 A 
ATOM     15  C   LIG    1       -5.058   2.109  -0.164  0.00  0.00    +0.116 A 
ATOM     16 CL   LIG    1       -4.724   3.145   1.178  0.00  0.00    -0.077 Cl
ATOM     17  C   LIG    1       -6.268   2.202  -0.841  0.00  0.00    +0.233 A 
ATOM     18  F   LIG    1       -7.180   3.103  -0.441  0.00  0.00    -0.182 F 
ATOM     19  N   LIG    1       -6.605   1.433  -1.901  0.00  0.00    -0.226 NA
ATOM     20  C   LIG    1       -5.686   0.536  -2.306  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.453   0.364  -1.695  0.00  0.00    +0.044 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  22
ATOM     22  C   LIG    1        2.386   0.051   1.219  0.00  0.00    +0.130 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.019   0.393  -0.134  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.040   1.545  -0.076  0.00  0.00    +0.062 C 
ATOM     25  C   LIG    1        3.392   2.870   0.330  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        4.726   1.704  -1.436  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1        5.044   1.246   0.894  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1        5.471   0.408   0.642  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6