REMARK  Name = BDB003383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.235  -0.416   0.775  0.00  0.00    +0.262 C 
ATOM      2  C   LIG    1       -1.496  -0.736  -0.715  0.00  0.00    +0.222 C 
ATOM      3  O   LIG    1       -0.924  -1.543  -1.429  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -2.608   0.106  -1.163  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -3.066   0.908  -0.123  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -4.120   1.789  -0.297  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.712   1.849  -1.562  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.247   1.037  -2.615  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.182   0.152  -2.421  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.299   0.658   1.100  0.00  0.00    +0.222 C 
ATOM     11  O   LIG    1       -2.533   1.197   2.169  0.00  0.00    -0.287 OA
ENDROOT
BRANCH   1  14
ATOM     12  O   LIG    1        0.023   1.821  -0.292  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        0.682   1.059   0.412  0.00  0.00    +0.220 C 
ATOM     14  N   LIG    1        0.118  -0.021   1.042  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        0.716  -0.765   1.373  0.00  0.00    +0.152 HD
BRANCH  13  16
ATOM     16  C   LIG    1        2.157   1.289   0.695  0.00  0.00    +0.131 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.012   0.049   0.580  0.00  0.00    -0.039 A 
ATOM     18  C   LIG    1        3.103  -0.642  -0.637  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        3.881  -1.796  -0.738  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.580  -2.266   0.371  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.503  -1.583   1.583  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.724  -0.430   1.689  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   1  23
ATOM     23  O   LIG    1       -1.397  -1.568   1.580  0.00  0.00    -0.359 OA
ATOM     24  H   LIG    1       -2.324  -1.849   1.518  0.00  0.00    +0.213 HD
ENDBRANCH   1  23
TORSDOF 4