REMARK  Name = BDB058440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343   0.988  -2.316  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        0.158   0.959  -0.896  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -0.692   1.238   0.195  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1       -0.169   1.173   1.497  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        1.176   0.872   1.713  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.027   0.620   0.639  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        1.516   0.663  -0.659  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.164   1.556   0.022  0.00  0.00    +0.137 C 
BRANCH   8   9
ATOM      9  N   LIG    1       -2.933   0.324   0.123  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1       -2.432  -0.481  -0.245  0.00  0.00    +0.146 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -4.289   0.317  -0.212  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -4.912  -0.917  -0.451  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -6.285  -0.998  -0.729  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1       -7.059   0.164  -0.742  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -6.465   1.392  -0.466  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -5.095   1.462  -0.190  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -6.956  -2.291  -1.004  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1       -8.142  -2.444  -1.231  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.110  -3.336  -0.990  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1       -6.687  -4.106  -1.179  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  13  17
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   3   8
BRANCH   6  21
ATOM     21  O   LIG    1        3.319   0.342   0.991  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.237   0.067  -0.062  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.585  -0.216   0.557  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        5.902  -1.508   1.004  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        7.141  -1.767   1.592  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        8.058  -0.734   1.741  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        9.247  -0.983   2.306  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.758   0.555   1.318  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.520   0.817   0.730  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 8