REMARK  Name = BDB036793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.234   1.009   1.407  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1        1.019   0.074   0.766  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1        0.563  -0.789   0.478  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.530   2.199   1.471  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.166   0.482  -0.033  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.569  -0.685  -0.941  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        1.821  -1.633  -1.181  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.821  -0.611  -1.498  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.083  -1.393  -2.083  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.871   0.134  -1.025  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        6.021  -0.091  -1.392  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.531   1.252  -0.068  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        3.362   0.874   0.829  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -1.017   0.441   2.051  0.00  0.00    +0.130 C 
BRANCH  14  19
ATOM     15  C   LIG    1       -4.968  -1.176  -1.913  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.975  -0.759  -0.869  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -3.654   0.592  -0.695  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -2.706   0.978   0.255  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.053   0.018   1.039  0.00  0.00    -0.039 A 
ATOM     20  C   LIG    1       -2.365  -1.334   0.856  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.314  -1.719  -0.094  0.00  0.00    +0.003 A 
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 3