REMARK  Name = BDB022036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -1.157   1.305  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        1.236  -0.425   1.314  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1        1.425  -0.088   2.251  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.395  -1.446   2.407  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.590  -0.096   0.744  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -4.616   0.150  -0.382  0.00  0.00    +0.212 C 
ATOM      7  N   LIG    1       -3.410  -0.536  -0.330  0.00  0.00    -0.302 N 
ATOM      8  C   LIG    1       -3.088  -1.528   0.695  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -1.886  -2.386   0.312  0.00  0.00    +0.032 C 
ATOM     10  C   LIG    1       -0.640  -1.528   0.008  0.00  0.00    +0.078 C 
ATOM     11  C   LIG    1       -1.004  -0.262  -0.791  0.00  0.00    +0.032 C 
ATOM     12  C   LIG    1       -2.414  -0.299  -1.369  0.00  0.00    +0.108 C 
ATOM     13  O   LIG    1       -4.906   0.924  -1.294  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   2  14
ATOM     14  C   LIG    1        2.162  -0.042   0.323  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.940   1.126   0.537  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        2.722   1.971   1.772  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1        3.930   1.489  -0.409  0.00  0.00    -0.046 A 
ATOM     18  C   LIG    1        4.799   2.708  -0.236  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.107   0.708  -1.559  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.348  -0.439  -1.758  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.393  -0.817  -0.816  0.00  0.00    +0.023 A 
ENDBRANCH   2  14
TORSDOF 2