REMARK  Name = BDB064077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.072   0.725   0.236  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -3.708   0.340  -0.062  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1       -3.265  -0.298  -1.208  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1       -4.131  -0.800  -2.529  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1       -1.895  -0.472  -1.095  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1       -1.308  -0.880  -1.809  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1       -1.455   0.046   0.088  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1       -0.207   0.101   0.565  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.655   0.600   0.790  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1       -2.659   1.156   1.873  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        0.979  -0.413  -0.043  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        2.277   0.184  -0.007  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        3.138  -0.671  -0.698  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.492  -0.389  -0.860  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        4.916   0.799  -0.286  0.00  0.00    +0.113 A 
ATOM     16  N   LIG    1        4.124   1.660   0.389  0.00  0.00    -0.263 NA
ATOM     17  N   LIG    1        2.393  -1.747  -1.124  0.00  0.00    -0.360 N 
ATOM     18  H   LIG    1        2.764  -2.534  -1.638  0.00  0.00    +0.165 HD
ATOM     19  C   LIG    1        2.809   1.363   0.534  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        1.088  -1.606  -0.726  0.00  0.00    +0.091 A 
ENDBRANCH   8  11
TORSDOF 1