REMARK  Name = BDB004077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.247  -0.751  -0.854  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1       -1.983  -1.940  -0.927  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -1.506  -3.077  -0.897  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.486  -1.842  -1.115  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -4.121  -0.511  -0.694  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.568  -0.558  -1.221  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -5.837  -0.571  -2.420  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -6.562  -0.671  -0.288  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -7.417  -1.032  -0.699  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -6.939   0.416   0.457  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -8.125   0.583   0.736  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.894   1.459   0.783  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -4.619   0.930   1.421  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.061  -0.371   0.846  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -3.346   0.559  -1.457  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -1.867   0.558  -1.108  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        2.912  -0.670   0.294  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        2.146  -1.820   0.484  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        0.793  -1.848   0.107  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        0.159  -0.740  -0.475  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        0.950   0.414  -0.642  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.304   0.451  -0.270  0.00  0.00    +0.017 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.341  -0.691   0.712  0.00  0.00    +0.340 C 
ATOM     24  O   LIG    1        4.867  -1.654   1.243  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.930   0.491   0.413  0.00  0.00    -0.455 OA
BRANCH  25  27
ATOM     26  C   LIG    1        7.233  -0.247  -0.059  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.330   0.718   0.718  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1        6.607   2.149   0.231  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.589   0.656   2.227  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 4