REMARK  Name = BDB050443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.812  -0.797   0.568  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.544  -0.205   0.725  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.630  -0.973   0.731  0.00  0.00    +0.079 A 
ATOM      4  N   LIG    1        1.919  -0.399   0.927  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        3.057  -1.198   0.828  0.00  0.00    +0.263 C 
ATOM      6  C   LIG    1        2.821  -2.607   0.244  0.00  0.00    +0.181 C 
ATOM      7  O   LIG    1        1.576  -3.218   0.568  0.00  0.00    -0.475 OA
ATOM      8  C   LIG    1        3.903  -3.555   0.777  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        2.946  -2.524  -1.287  0.00  0.00    +0.065 C 
ATOM     10  O   LIG    1        4.188  -0.778   1.082  0.00  0.00    -0.271 OA
ATOM     11  C   LIG    1        0.512  -2.359   0.571  0.00  0.00    +0.143 A 
ATOM     12  C   LIG    1       -0.739  -2.965   0.438  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -1.895  -2.188   0.433  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.564   0.558  -0.631  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -3.029   0.029   0.560  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -3.714   0.321   1.759  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1       -3.245  -0.201   3.092  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.870   1.109   1.708  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -5.311   1.593   0.490  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1       -4.686   1.330  -0.664  0.00  0.00    -0.237 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -6.466   2.365   0.407  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1       -6.566   2.634  -0.568  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -6.417   3.172   1.017  0.00  0.00    +0.144 HD
ENDBRANCH  19  21
BRANCH  14  25
ATOM     24  C   LIG    1       -1.990   1.478  -2.357  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -2.923   0.336  -1.982  0.00  0.00    +0.053 C 
ENDBRANCH  14  25
ENDBRANCH   1  15
BRANCH   4  26
ATOM     26  C   LIG    1        2.081   1.003   1.312  0.00  0.00    +0.116 C 
BRANCH  26  27
ATOM     27  C   LIG    1        2.125   1.960   0.121  0.00  0.00    +0.047 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.385   1.808  -0.724  0.00  0.00    +0.161 C 
BRANCH  28  29
ATOM     29  O   LIG    1        3.350   2.804  -1.748  0.00  0.00    -0.383 OA
ATOM     30  C   LIG    1        4.505   2.739  -2.575  0.00  0.00    +0.193 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7