REMARK  Name = BDB063492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.725  -2.673  -2.176  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.001  -1.905  -1.554  0.00  0.00    +0.272 A 
ATOM      3  C   LIG    1       -2.559  -0.809  -0.746  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.693   0.039  -0.056  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.218   1.086   0.716  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -3.600   1.261   0.779  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1       -4.465   0.417   0.091  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -0.233  -0.224  -0.183  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.237  -1.200  -0.903  0.00  0.00    -0.175 NA
ATOM     10  C   LIG    1       -3.945  -0.624  -0.676  0.00  0.00    +0.017 A 
ATOM     11  N   LIG    1       -0.633  -2.008  -1.563  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1       -0.223  -2.756  -2.113  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   6  13
ATOM     13  O   LIG    1       -4.157   2.264   1.515  0.00  0.00    -0.507 OA
ATOM     14  H   LIG    1       -3.459   2.783   1.947  0.00  0.00    +0.292 HD
ENDBRANCH   6  13
BRANCH   8  15
ATOM     15  C   LIG    1        0.731   0.692   0.565  0.00  0.00    +0.093 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.198   0.376   0.398  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1        2.839  -0.511   1.274  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.194  -0.805   1.117  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.921  -0.220   0.082  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.291   0.655  -0.802  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.936   0.950  -0.647  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 3