REMARK  Name = BDB045297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.356  -0.633  -0.431  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.957  -0.156  -0.167  0.00  0.00    +0.107 A 
ATOM      3  N   LIG    1        1.834   1.107   0.338  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        2.645   1.680   0.520  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1        0.624   1.681   0.630  0.00  0.00    +0.259 A 
ATOM      6  O   LIG    1        0.536   2.817   1.082  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.561   0.847   0.365  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -0.347  -0.434  -0.153  0.00  0.00    +0.119 A 
ATOM      9  C   LIG    1       -1.475  -1.230  -0.406  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -2.768  -0.760  -0.151  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -2.952   0.523   0.366  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.848   1.332   0.625  0.00  0.00    +0.015 A 
ATOM     13  N   LIG    1        0.949  -0.924  -0.416  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  14
ATOM     14  O   LIG    1       -1.303  -2.492  -0.913  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1       -2.168  -2.913  -1.032  0.00  0.00    +0.292 HD
ENDBRANCH   9  14
TORSDOF 1