REMARK  Name = BDB008443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.905  -1.915   2.586  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.378  -1.148   1.772  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -3.042  -1.498   1.262  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.412  -2.676   1.707  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.142  -3.028   1.254  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -0.459  -2.218   0.345  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -1.090  -1.046  -0.099  0.00  0.00    +0.051 A 
ATOM      8  N   LIG    1       -0.671  -0.059  -0.976  0.00  0.00    -0.342 N 
ATOM      9  C   LIG    1       -1.648   0.902  -1.074  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1       -2.707   0.517  -0.274  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.903   1.304  -0.170  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -3.980   2.543  -1.064  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1       -2.599   3.164  -1.319  0.00  0.00    +0.012 C 
ATOM     14  N   LIG    1       -4.926   1.032   0.573  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -1.600   2.147  -1.895  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -2.367  -0.686   0.351  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -5.090  -0.024   1.413  0.00  0.00    -0.242 N 
ATOM     18  H   LIG    1       -5.987   0.001   1.891  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  19
ATOM     19  C   LIG    1        0.584  -0.065  -1.718  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.728   0.656  -0.984  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.438  -0.190  -0.010  0.00  0.00    -0.301 NA
ATOM     22  C   LIG    1        3.330  -1.179  -0.636  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        4.817  -0.881  -0.452  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        5.189  -0.777   1.026  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        4.055  -0.198   1.870  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        3.090   0.627   1.023  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   8  19
TORSDOF 3