REMARK  Name = BDB001987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.750   0.867  -2.075  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -3.676   0.552  -1.581  0.00  0.00    +0.234 C 
ATOM      3  C   LIG    1       -3.530   0.345  -0.128  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -2.260   0.113   0.432  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -2.221  -0.096   1.826  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.379  -0.060   2.615  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.615   0.185   2.034  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.044   0.093  -0.421  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1       -1.142   0.202  -1.818  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.008   0.168  -2.643  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.261   0.036  -2.086  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.417  -0.064  -0.701  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        0.260  -0.032   0.107  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -4.693   0.387   0.661  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.460   0.360  -2.462  0.00  0.00    +0.234 C 
ATOM     16  O   LIG    1       -2.579   0.342  -3.680  0.00  0.00    -0.283 OA
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        2.754  -0.198  -0.099  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        3.064  -1.281   0.741  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.332  -1.408   1.313  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.312  -0.452   1.055  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.025   0.628   0.225  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.757   0.753  -0.348  0.00  0.00    +0.008 A 
ENDBRANCH  12  17
TORSDOF 1