REMARK  Name = BDB049176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.698  -0.155   0.674  0.00  0.00    +0.134 A 
ATOM      2  N   LIG    1        0.021   0.924   0.235  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1       -1.308   0.812   0.083  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.990  -0.377   0.346  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -3.391  -0.462   0.174  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.110   0.646  -0.263  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.437   1.834  -0.527  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.175  -1.414   0.772  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.050   1.904  -0.352  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.151  -1.351   0.939  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   8  11
ATOM     11  O   LIG    1       -1.688  -2.640   1.067  0.00  0.00    -0.492 OA
ATOM     12  H   LIG    1       -0.880  -3.105   1.347  0.00  0.00    +0.294 HD
ENDBRANCH   8  11
BRANCH   1  13
ATOM     13  C   LIG    1        2.188  -0.025   0.807  0.00  0.00    +0.087 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.853  -0.224  -0.549  0.00  0.00    +0.128 C 
BRANCH  14  16
ATOM     15  O   LIG    1        4.967   0.055   0.603  0.00  0.00    -0.251 OA
ATOM     16  C   LIG    1        4.349  -0.110  -0.436  0.00  0.00    +0.305 C 
BRANCH  16  17
ATOM     17  O   LIG    1        4.966  -0.220  -1.635  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        4.354  -0.349  -2.386  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5