REMARK  Name = BDB051437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.578   0.970   0.684  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        1.939   1.808   0.083  0.00  0.00    -0.061 S 
ATOM      3  C   LIG    1        2.552   0.338  -0.572  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.663  -0.696  -0.270  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.965  -2.002  -0.706  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        3.139  -2.237  -1.430  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.005  -1.188  -1.718  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        5.587  -1.530  -2.699  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        3.734   0.117  -1.298  0.00  0.00    +0.032 A 
ATOM     10  N   LIG    1        0.537  -0.322   0.452  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -0.680   1.756   1.599  0.00  0.00    -0.081 S 
BRANCH  11  13
ATOM     12  C   LIG    1       -3.359   1.886   1.484  0.00  0.00    +0.034 C 
ATOM     13  C   LIG    1       -2.234   0.902   1.096  0.00  0.00    +0.114 C 
ATOM     14  C   LIG    1       -2.342   0.639  -0.411  0.00  0.00    +0.034 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -2.432  -0.401   1.887  0.00  0.00    +0.321 C 
ATOM     16  O   LIG    1       -3.421  -0.637   2.572  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -1.460  -1.330   1.757  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -0.689  -1.040   1.216  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4