REMARK  Name = BDB059871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.098  -1.300  -0.930  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        0.105  -0.719  -1.353  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.348  -1.327  -1.093  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1        2.615  -0.641  -1.571  0.00  0.00    +0.143 C 
ATOM      5  N   LIG    1        3.834  -1.278  -1.067  0.00  0.00    -0.293 N 
ATOM      6  C   LIG    1        3.800  -2.735  -1.061  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        2.707  -3.232  -0.118  0.00  0.00    +0.054 C 
ATOM      8  C   LIG    1        4.774  -0.635  -0.266  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        5.538  -1.229   0.490  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.386  -2.565  -0.423  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        0.194  -3.151   0.008  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.029  -2.528  -0.246  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        4.890   0.840  -0.342  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.902   1.579   0.845  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        5.030   2.967   0.794  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.162   3.611  -0.438  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.175   2.870  -1.621  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.046   1.482  -1.576  0.00  0.00    +0.013 A 
ENDBRANCH   8  13
BRANCH   1  19
ATOM     19  C   LIG    1       -2.477  -0.681  -1.175  0.00  0.00    +0.060 C 
BRANCH  19  25
ATOM     20  C   LIG    1       -5.524   1.122   4.653  0.00  0.00    +0.175 C 
ATOM     21  N   LIG    1       -5.619   0.538   3.343  0.00  0.00    -0.247 N 
ATOM     22  C   LIG    1       -4.634   0.364   2.409  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -5.309  -0.248   1.359  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -4.612  -0.594   0.192  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -3.232  -0.319   0.106  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1       -2.588   0.311   1.187  0.00  0.00    +0.006 A 
ATOM     27  N   LIG    1       -6.628  -0.407   1.689  0.00  0.00    -0.129 NA
ATOM     28  C   LIG    1       -3.270   0.662   2.360  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -6.809   0.081   2.910  0.00  0.00    -0.065 NA
ENDBRANCH  19  25
BRANCH  19  30
ATOM     30  C   LIG    1       -2.590   0.435  -2.231  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.247   1.817  -1.736  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -1.218   2.173  -1.189  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.219   2.712  -2.001  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -2.883   3.553  -1.625  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 6