REMARK  Name = BDB053353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.568  -0.427   0.371  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1        1.601   0.246  -0.300  0.00  0.00    +0.272 A 
ATOM      3  O   LIG    1        1.557   1.012  -1.252  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        2.908  -0.070   0.291  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        2.822  -0.942   1.354  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.876  -1.386   2.064  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        5.082  -0.913   1.666  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        5.265  -0.029   0.603  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.147   0.406  -0.106  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1        1.150  -1.413   1.679  0.00  0.00    +0.017 S 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.675   0.530  -1.308  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1       -1.308   0.446  -0.995  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1       -0.829  -0.348   0.059  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -1.790  -1.065   0.796  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -3.153  -0.989   0.493  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -3.597  -0.192  -0.559  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.338   1.472  -2.727  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.968   1.349  -2.365  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
TORSDOF 2