REMARK  Name = BDB053354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.726   1.874  -1.291  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.074   0.766  -0.912  0.00  0.00    +0.267 A 
ATOM      3  N   LIG    1        0.390  -0.429  -1.062  0.00  0.00    -0.272 N 
ATOM      4  S   LIG    1        1.162  -1.796  -0.367  0.00  0.00    +0.012 S 
ATOM      5  C   LIG    1        2.524  -0.779   0.156  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.601  -1.247   0.814  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        4.534  -0.315   1.127  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.429   1.041   0.808  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.300   1.487   0.124  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        2.340   0.544  -0.201  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -0.944  -0.519  -1.616  0.00  0.00    +0.168 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.019  -0.403  -0.561  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -2.418   0.856  -0.088  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.399   0.965   0.898  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.988  -0.183   1.426  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.595  -1.440   0.970  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.614  -1.551  -0.017  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 2