REMARK  Name = BDB021286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.244  -0.719   0.274  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.108  -0.059  -0.982  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.931  -0.267  -1.678  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.029   0.442  -2.854  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        2.260   1.056  -2.803  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.118  -1.073  -1.188  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.021  -1.659  -0.030  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.921   0.746  -1.641  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.191  -1.464   0.671  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.662  -0.455   2.771  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1        5.118  -1.675   2.547  0.00  0.00    -0.244 NA
ATOM     12  C   LIG    1        4.030  -1.722   1.740  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.430  -0.608   1.151  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.029   0.632   1.402  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.156   0.716   2.221  0.00  0.00    +0.039 A 
BRANCH  10  17
ATOM     16  N   LIG    1        7.750  -0.356   4.316  0.00  0.00    -0.189 NA
ATOM     17  C   LIG    1        6.817  -0.424   3.625  0.00  0.00    +0.119 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        2.839   1.915  -3.791  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        3.276   2.612  -4.611  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.254  -1.217  -1.952  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.393  -0.611  -2.751  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.488  -1.782  -1.444  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.436  -0.685  -1.056  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.551  -0.207   0.245  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.807  -0.573   1.476  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -3.694   0.115   2.513  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -4.412   1.194   1.872  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.423   0.832   0.550  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -5.205   1.448  -0.407  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.105   0.987  -1.719  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.230  -0.062  -2.029  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.139  -0.462  -3.306  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6