REMARK  Name = BDB032197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.055   1.106  -1.274  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.088   0.752  -0.060  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        1.415  -0.343  -0.597  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.076  -0.224  -0.990  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -0.607   0.994  -0.857  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1        0.073   2.090  -0.314  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.409   1.966   0.076  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        3.386   0.784   0.360  0.00  0.00    -0.489 OA
BRANCH   8  13
ATOM      9  C   LIG    1        7.838  -0.582  -0.271  0.00  0.00    +0.104 C 
ATOM     10  N   LIG    1        6.899   0.536  -0.275  0.00  0.00    -0.305 NA
ATOM     11  C   LIG    1        6.292   0.769   1.041  0.00  0.00    +0.087 C 
ATOM     12  C   LIG    1        5.242  -0.274   1.434  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1        4.159  -0.424   0.359  0.00  0.00    +0.176 C 
ATOM     14  C   LIG    1        4.807  -0.652  -1.010  0.00  0.00    +0.060 C 
ATOM     15  C   LIG    1        5.870   0.407  -1.314  0.00  0.00    +0.087 C 
ENDBRANCH   8  13
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  N   LIG    1       -2.877   0.345  -0.342  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -2.574   0.500   0.617  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -4.282   0.362  -0.439  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -5.073  -0.242   0.592  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -6.488  -0.242   0.494  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -7.234  -0.824   1.552  0.00  0.00    +0.124 A 
ATOM     22  N   LIG    1       -6.670  -1.389   2.632  0.00  0.00    -0.240 NA
ATOM     23  C   LIG    1       -5.329  -1.405   2.693  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -7.089   0.323  -0.652  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -6.320   0.854  -1.681  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.508  -0.860   1.723  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -4.933   0.858  -1.579  0.00  0.00    +0.023 A 
BRANCH  21  28
ATOM     28  N   LIG    1       -8.639  -0.853   1.527  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -8.945  -1.373   0.711  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -8.991   0.096   1.466  0.00  0.00    +0.144 HD
ENDBRANCH  21  28
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6