REMARK  Name = BDB064076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.033   0.929   0.102  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1        3.709   0.373  -0.083  0.00  0.00    -0.251 N 
ATOM      3  C   LIG    1        3.340  -0.580  -1.016  0.00  0.00    +0.144 C 
ATOM      4  S   LIG    1        4.268  -1.345  -2.156  0.00  0.00    -0.018 S 
ATOM      5  N   LIG    1        1.983  -0.825  -0.862  0.00  0.00    -0.292 N 
ATOM      6  H   LIG    1        1.449  -1.455  -1.445  0.00  0.00    +0.154 HD
ATOM      7  C   LIG    1        1.482  -0.045   0.140  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1        0.223   0.036   0.584  0.00  0.00    +0.037 C 
ATOM      9  C   LIG    1        2.621   0.768   0.668  0.00  0.00    +0.266 C 
ATOM     10  O   LIG    1        2.558   1.592   1.562  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.906  -0.716   0.120  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1       -2.200  -0.145  -0.169  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1       -3.105  -1.128  -0.583  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.434  -0.813  -0.930  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.858   0.515  -0.859  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.983   1.512  -0.453  0.00  0.00    +0.001 A 
ATOM     17  S   LIG    1       -2.380  -2.690  -0.598  0.00  0.00    -0.096 S 
ATOM     18  C   LIG    1       -2.665   1.196  -0.111  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -0.885  -2.083  -0.051  0.00  0.00    +0.054 A 
ENDBRANCH   8  11
TORSDOF 1