REMARK  Name = BDB049843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.808  -1.070   1.047  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        0.697  -0.346   0.625  0.00  0.00    -0.305 N 
ATOM      3  H   LIG    1        0.856   0.224  -0.195  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.704  -2.130   1.657  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        6.465  -0.264  -0.320  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        5.127  -0.150   0.095  0.00  0.00    +0.102 A 
ATOM      7  C   LIG    1        4.626   1.122   0.367  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.322   0.905   0.729  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1        2.659   1.608   1.024  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1        3.074  -0.446   0.699  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1        5.386   2.291   0.265  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        6.720   2.149  -0.137  0.00  0.00    +0.003 A 
ATOM     13  N   LIG    1        4.160  -1.101   0.334  0.00  0.00    -0.223 NA
ATOM     14  C   LIG    1        7.257   0.894  -0.427  0.00  0.00    +0.015 A 
BRANCH   5  18
ATOM     15  N   LIG    1        8.171  -1.923   0.016  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        8.468  -2.883  -0.105  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        8.410  -1.467   0.886  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        7.033  -1.575  -0.662  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        6.547  -2.299  -1.518  0.00  0.00    -0.270 OA
ENDBRANCH   5  18
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  C   LIG    1       -0.649  -0.904   0.774  0.00  0.00    +0.087 C 
ATOM     21  C   LIG    1       -1.689  -0.069  -0.009  0.00  0.00    +0.107 C 
ATOM     22  N   LIG    1       -3.040  -0.657   0.001  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -3.391  -1.234   1.314  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -2.536  -0.728   2.475  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -1.053  -1.007   2.254  0.00  0.00    +0.025 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -4.090   0.251  -0.533  0.00  0.00    +0.059 C 
ATOM     27  C   LIG    1       -3.658   1.002  -1.821  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -4.836   1.474  -2.679  0.00  0.00    +0.082 C 
ATOM     29  N   LIG    1       -6.015   1.731  -1.867  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1       -6.756   2.138  -2.437  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -6.505   0.504  -1.236  0.00  0.00    +0.082 C 
ATOM     32  C   LIG    1       -5.400  -0.492  -0.859  0.00  0.00    +0.034 C 
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 4