REMARK  Name = BDB014138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.045  -0.515   0.624  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        1.710  -0.449   0.208  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.002  -1.628  -0.006  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.567  -2.845   0.185  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        2.846  -2.890   0.604  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        3.619  -1.766   0.837  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        5.102   0.987   0.608  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        3.773   0.719   0.846  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        3.168   1.863   1.305  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1        4.083   2.819   1.381  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        5.243   2.296   0.965  0.00  0.00    -0.253 N 
ATOM     12  H   LIG    1        6.067   2.889   0.938  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  F   LIG    1        5.925  -0.451  -1.044  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1        6.233   0.232   0.083  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1        6.701  -0.666   0.983  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        7.273   1.051  -0.224  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -0.393  -1.625  -0.447  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1       -1.202  -2.746  -0.457  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1       -2.365  -2.348  -0.913  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1       -2.357  -1.013  -1.197  0.00  0.00    -0.332 N 
ATOM     21  C   LIG    1       -1.102  -0.537  -0.923  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.469  -0.259  -1.750  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.180   0.539  -0.685  0.00  0.00    -0.009 A 
ATOM     24  C   LIG    1       -3.965   1.913  -0.488  0.00  0.00    +0.046 A 
ATOM     25 CL   LIG    1       -2.879   2.826  -1.475  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -4.640   2.602   0.526  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.533   1.930   1.359  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.755   0.569   1.180  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.085  -0.121   0.169  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 5