REMARK  Name = BDB042715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.206  -1.886  -0.277  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -0.230  -0.500  -0.565  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1       -1.765  -0.342  -0.641  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1       -2.330  -1.121  -1.755  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1       -1.643  -2.408  -1.953  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.791  -2.868  -0.748  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.801  -1.187  -1.815  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1       -4.483   0.221  -1.924  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1       -5.806   0.154  -2.696  0.00  0.00    +0.034 C 
ATOM     10  N   LIG    1       -4.764   0.869  -0.619  0.00  0.00    -0.274 NA
ATOM     11  C   LIG    1       -5.047   0.076   0.367  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.040  -1.407   0.335  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -4.407  -1.990  -0.691  0.00  0.00    -0.004 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.431   0.719   1.711  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -5.523   2.090   1.642  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -5.221   2.500   0.760  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -5.716   2.908   2.806  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -5.613   0.037   2.706  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.539  -2.160  -0.829  0.00  0.00    +0.119 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.349   1.815   0.970  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        6.114   2.018  -0.526  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1        6.776   2.820  -1.167  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        5.124   1.248  -1.081  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        4.950   1.368  -2.069  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.383   0.340  -0.317  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1        4.660   0.211   1.053  0.00  0.00    +0.123 A 
ATOM     27  C   LIG    1        3.900  -0.702   1.789  0.00  0.00    +0.151 A 
ATOM     28  C   LIG    1        2.898  -1.465   1.189  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        2.628  -1.330  -0.180  0.00  0.00    -0.029 A 
ATOM     30  F   LIG    1        4.124  -0.864   3.103  0.00  0.00    -0.203 F 
ATOM     31  C   LIG    1        3.382  -0.418  -0.933  0.00  0.00    +0.033 A 
ATOM     32  N   LIG    1        5.670   0.967   1.686  0.00  0.00    -0.242 NA
BRANCH  20  34
ATOM     33  C   LIG    1        8.797   1.973   1.386  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        7.447   2.628   1.610  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5