REMARK  Name = BDB032944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.097  -0.622   0.401  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.762  -0.960   0.726  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.456  -2.245   1.212  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.455  -3.209   1.331  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.762  -2.894   0.975  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.081  -1.611   0.518  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.524   2.698  -0.711  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.609   1.221  -0.419  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -2.397   0.699  -0.016  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.615   1.355   0.055  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.670   0.617  -0.534  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.337   0.044   0.563  0.00  0.00    +0.250 C 
ATOM     13  N   LIG    1        1.557  -0.469   0.161  0.00  0.00    -0.280 N 
ATOM     14  H   LIG    1        1.590  -1.445  -0.104  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        0.079   1.232   0.733  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.752   0.259  -0.029  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        2.928   1.608   0.265  0.00  0.00    +0.134 A 
ATOM     18  N   LIG    1        4.092   2.284   0.080  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        5.131   1.584  -0.420  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        5.063   0.240  -0.741  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        3.856  -0.429  -0.540  0.00  0.00    +0.026 A 
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3