REMARK  Name = BDB064072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.574  -0.526  -0.451  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        4.179  -0.247  -0.179  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1        3.664   0.339   0.964  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1        4.460   0.883   2.312  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        2.287   0.412   0.821  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        1.652   0.762   1.524  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        1.914  -0.120  -0.380  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1        0.684  -0.260  -0.884  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        3.167  -0.573  -1.060  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1        3.239  -1.112  -2.150  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.548   0.155  -0.294  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.794  -0.540  -0.361  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.736   0.234   0.324  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -4.077  -0.165   0.456  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.462  -1.377  -0.122  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.545  -2.167  -0.808  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -2.080   1.361   0.774  0.00  0.00    -0.349 N 
ATOM     18  C   LIG    1       -2.697   2.436   1.518  0.00  0.00    +0.149 C 
ATOM     19  C   LIG    1       -2.212  -1.761  -0.934  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -0.761   1.327   0.399  0.00  0.00    +0.094 A 
ENDBRANCH   8  11
TORSDOF 1