REMARK  Name = BDB053343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.194  -0.069   0.755  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        3.855   0.088   0.105  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1        2.673  -0.105   0.828  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        1.470   0.023   0.152  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        1.470   0.321  -1.192  0.00  0.00    +0.130 A 
ATOM      6  S   LIG    1       -0.172   0.431  -1.837  0.00  0.00    +0.017 S 
ATOM      7  N   LIG    1       -0.859   0.072  -0.282  0.00  0.00    -0.244 N 
ATOM      8  N   LIG    1        2.578   0.501  -1.933  0.00  0.00    -0.246 NA
ATOM      9  C   LIG    1        0.118  -0.129   0.707  0.00  0.00    +0.272 A 
ATOM     10  O   LIG    1       -0.008  -0.396   1.894  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        3.749   0.374  -1.262  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.277  -0.000  -0.089  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -3.178   0.217  -1.150  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -4.566   0.147  -0.966  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -5.083  -0.142   0.290  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1       -6.952  -0.237   0.544  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1       -4.223  -0.362   1.358  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -2.836  -0.291   1.167  0.00  0.00    +0.028 A 
ENDBRANCH   7  12
TORSDOF 1