REMARK  Name = BDB000648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.297  -2.950   0.657  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -2.619  -1.990   0.374  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -2.856  -0.599   0.756  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -1.821   0.162   0.214  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.787   1.530   0.415  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.816   2.110   1.169  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.855   1.325   1.707  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.919  -0.649  -0.496  0.00  0.00    -0.251 N 
ATOM      9  C   LIG    1       -3.884  -0.054   1.502  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.321  -1.973  -0.471  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1       -0.808  -2.944  -0.986  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.237  -0.182  -1.213  0.00  0.00    +0.201 C 
BRANCH  12  13
ATOM     13  N   LIG    1        1.242   0.332  -0.280  0.00  0.00    -0.282 NA
ATOM     14  C   LIG    1        1.785  -0.749   0.577  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1        3.178  -0.402   1.124  0.00  0.00    +0.175 C 
ATOM     16  O   LIG    1        4.159  -0.257   0.088  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1        3.602   0.161  -1.163  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1        2.338   1.020  -0.996  0.00  0.00    +0.114 C 
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2