REMARK  Name = BDB006833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.469   1.873   1.380  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.668   0.893   0.572  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1       -3.296   0.728   0.828  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.582  -0.202   0.090  0.00  0.00    +0.040 A 
ATOM      5  N   LIG    1       -1.214  -0.533   0.156  0.00  0.00    -0.270 N 
ATOM      6  C   LIG    1       -0.926  -1.497  -0.921  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -2.269  -1.942  -1.512  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -0.282   0.033   1.011  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.541   0.895   1.856  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -3.217  -0.976  -0.882  0.00  0.00    -0.024 A 
ATOM     11  C   LIG    1       -4.573  -0.844  -1.137  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -5.298   0.096  -0.403  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.161  -0.492   0.909  0.00  0.00    +0.181 C 
BRANCH  13  14
ATOM     14  N   LIG    1        1.806  -0.107  -0.365  0.00  0.00    -0.291 NA
ATOM     15  C   LIG    1        3.086  -0.819  -0.547  0.00  0.00    +0.103 C 
ATOM     16  C   LIG    1        4.217  -0.377   0.427  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1        5.584  -0.795  -0.111  0.00  0.00    +0.025 C 
ATOM     18  N   LIG    1        4.237   1.069   0.736  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1        3.744   1.208   1.620  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        3.500   1.823  -0.289  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        2.031   1.357  -0.454  0.00  0.00    +0.100 C 
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 2