REMARK  Name = BDB051964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.532   0.504   0.393  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -1.563  -0.687  -0.380  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.228  -0.957  -0.674  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.316  -2.017  -1.569  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1        0.526   0.002  -0.012  0.00  0.00    -0.236 N 
ATOM      6  N   LIG    1       -0.279   0.966   0.507  0.00  0.00    -0.162 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.938   0.113   0.184  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        2.805  -0.974   0.026  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.180  -0.818   0.237  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.699   0.416   0.618  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        3.845   1.499   0.802  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.471   1.348   0.594  0.00  0.00    +0.028 A 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     13  C   LIG    1       -2.340   2.534   1.718  0.00  0.00    +0.093 C 
ATOM     14  C   LIG    1       -2.642   1.218   1.042  0.00  0.00    +0.181 C 
ATOM     15  O   LIG    1       -3.786   0.764   1.057  0.00  0.00    -0.291 OA
ENDBRANCH   1  14
BRANCH   2  16
ATOM     16  C   LIG    1       -2.690  -1.504  -0.826  0.00  0.00    +0.164 C 
ATOM     17  O   LIG    1       -2.593  -2.732  -0.865  0.00  0.00    -0.292 OA
ATOM     18  C   LIG    1       -3.958  -0.846  -1.302  0.00  0.00    +0.092 C 
ENDBRANCH   2  16
TORSDOF 3