REMARK  Name = BDB032279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616   0.447   1.056  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.060   1.213   0.098  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        1.282   1.395   0.127  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        2.126   0.850   1.085  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        1.539   0.046   2.060  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.160  -0.157   2.043  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.001   0.197   1.064  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -2.361   0.413   1.988  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -2.743   0.889   0.010  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -8.098  -0.793  -1.276  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -6.683  -0.426  -1.221  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -6.531   0.988  -0.858  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.058   1.399  -0.853  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.232   0.515   0.092  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -4.470  -0.962  -0.254  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -5.962  -1.296  -0.283  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        3.607   1.098   1.041  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.194   0.330  -0.051  0.00  0.00    -0.338 N 
ATOM     19  H   LIG    1        3.790  -0.601  -0.133  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        5.595   0.273  -0.092  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        6.296  -0.924  -0.362  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        7.692  -0.911  -0.397  0.00  0.00    +0.067 A 
ATOM     23  N   LIG    1        8.113  -2.194  -0.668  0.00  0.00    -0.359 N 
ATOM     24  H   LIG    1        9.080  -2.475  -0.756  0.00  0.00    +0.165 HD
ATOM     25  C   LIG    1        7.035  -3.025  -0.809  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        8.429   0.245  -0.184  0.00  0.00    +0.137 A 
ATOM     27  N   LIG    1        7.779   1.402   0.052  0.00  0.00    -0.259 NA
ATOM     28  C   LIG    1        5.898  -2.271  -0.627  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        6.423   1.391   0.077  0.00  0.00    +0.134 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6