REMARK  Name = BDB008455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.861   2.582  -1.794  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.966   1.953  -1.220  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -3.285   0.603  -0.726  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.336  -0.175  -0.070  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -2.666  -1.456   0.381  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.940  -2.006   0.202  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -4.890  -1.219  -0.455  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -1.538  -1.985   0.976  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -1.482  -2.910   1.382  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -0.521  -1.071   0.913  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        0.850  -1.276   1.440  0.00  0.00    +0.162 C 
ATOM     12  N   LIG    1        1.743  -0.309   0.797  0.00  0.00    -0.290 N 
ATOM     13  C   LIG    1        3.094  -0.638   0.783  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        3.533  -1.701   1.206  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        1.259   1.077   0.616  0.00  0.00    +0.166 C 
ATOM     16  C   LIG    1       -0.166   1.185   0.047  0.00  0.00    +0.088 A 
ATOM     17  N   LIG    1       -0.523   2.279  -0.546  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -1.002   0.049   0.273  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1       -4.572   0.062  -0.911  0.00  0.00    +0.014 A 
ATOM     20  N   LIG    1       -1.739   2.572  -1.089  0.00  0.00    -0.242 N 
ATOM     21  H   LIG    1       -1.761   3.500  -1.507  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  13  22
ATOM     22  C   LIG    1        4.042   0.369   0.231  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        5.241  -0.091  -0.571  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        4.114   0.614  -1.260  0.00  0.00    +0.013 C 
ENDBRANCH  13  22
TORSDOF 1