REMARK  Name = BDB030917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.209  -1.234  -1.158  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.676  -1.306  -2.450  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.030  -1.100  -2.576  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.852  -0.837  -1.543  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.305  -0.784  -0.325  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.002  -0.958  -0.097  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.293   0.721   1.102  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.422  -0.599   0.622  0.00  0.00    +0.086 A 
ATOM      9 CL   LIG    1        5.798  -1.607   0.916  0.00  0.00    -0.079 Cl
ATOM     10  C   LIG    1        3.304  -1.189   0.004  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        2.075  -0.540  -0.121  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.188  -1.428  -0.806  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.878  -2.603  -1.030  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.945   0.753   0.419  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.148  -2.446  -0.542  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.880  -3.146  -0.564  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.048   1.360   1.034  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.643   1.558   1.367  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.322   1.462   1.720  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        5.060   2.200   2.359  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        7.426   2.216   2.045  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        8.328   1.110  -0.192  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.958   0.974   0.183  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.171  -1.575  -3.638  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1        0.576  -2.873  -3.723  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        1.298  -0.815  -3.695  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -0.480  -1.329  -4.813  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.079  -0.537   0.796  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.426  -0.278   1.528  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -4.228   0.346   0.614  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -4.538   1.085   1.938  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -5.677   2.009   1.877  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -5.354   2.956   1.682  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -6.684   1.631   0.883  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.776   0.122   0.686  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -5.460  -0.461   0.166  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6