REMARK  Name = BDB031278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.184   0.387   1.547  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.236   0.046   0.370  0.00  0.00    +0.225 C 
ATOM      3  N   LIG    1        0.861  -0.233  -0.439  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        0.661  -0.524  -1.388  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.229  -0.159  -0.097  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.148  -0.500  -1.105  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        4.486  -0.433  -0.789  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        4.935  -0.047   0.469  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        6.324  -0.084   0.461  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        6.946   0.141   1.221  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        6.756  -0.495  -0.807  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        7.908  -0.639  -1.175  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        4.068   0.292   1.477  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        5.601  -0.708  -1.575  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.619  -1.011  -2.534  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        2.698   0.232   1.180  0.00  0.00    +0.025 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -1.569  -0.170  -0.369  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -2.699   0.744   0.088  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -4.010   0.256   0.258  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -5.034   1.135   0.647  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.776   2.492   0.832  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.491   2.985   0.633  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.341  -1.205   0.085  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -3.321  -1.941  -0.775  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.463   2.120   0.258  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -1.913  -1.665  -0.269  0.00  0.00    +0.018 C 
ENDBRANCH   2  17
TORSDOF 2