REMARK  Name = BDB056491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.532  -0.794   2.096  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.938  -0.795   0.939  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        0.360  -0.069  -0.074  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.711  -0.177  -1.020  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.848   0.715   0.135  0.00  0.00    +0.127 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.165  -0.129   0.145  0.00  0.00    +0.105 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.366   0.703   0.613  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -4.311   0.201   1.529  0.00  0.00    +0.046 A 
ATOM      9 CL   LIG    1       -4.203  -1.387   2.211  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.405   0.979   1.930  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.588   2.261   1.417  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.681   2.768   0.495  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.586   1.997   0.094  0.00  0.00    +0.006 A 
ENDBRANCH   6   7
BRANCH   6  14
ATOM     14  N   LIG    1       -2.523  -0.834  -1.100  0.00  0.00    -0.294 NA
ATOM     15  C   LIG    1       -1.985  -2.184  -1.218  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -2.292  -2.567  -2.661  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -2.630  -1.258  -3.365  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -2.261  -0.172  -2.368  0.00  0.00    +0.085 C 
ENDBRANCH   6  14
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1        2.131  -1.611   0.510  0.00  0.00    +0.153 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.289  -0.749   0.061  0.00  0.00    +0.078 A 
ATOM     21  C   LIG    1        4.144  -0.072   1.067  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        5.190   0.712   0.585  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        6.042   1.387   1.468  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        5.839   1.279   2.842  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.791   0.500   3.330  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.388   0.830  -0.868  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1        6.297   1.504  -1.340  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        4.494   0.148  -1.658  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1        4.624   0.216  -2.663  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1        3.942  -0.177   2.448  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1        3.465  -0.626  -1.222  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 6