REMARK  Name = BDB003202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.378  -0.598   0.030  0.00  0.00    +0.074 A 
ATOM      2  S   LIG    1        1.226   0.627  -0.273  0.00  0.00    -0.064 S 
ATOM      3  C   LIG    1       -0.063  -0.469   0.064  0.00  0.00    +0.109 A 
ATOM      4  N   LIG    1        0.339  -1.686   0.386  0.00  0.00    -0.247 NA
ATOM      5  C   LIG    1        1.717  -1.761   0.367  0.00  0.00    +0.130 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.484  -0.065  -0.006  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.910   1.230  -0.348  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.272   1.552  -0.397  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.231   0.587  -0.105  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.833  -0.701   0.236  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.474  -1.022   0.285  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   1  13
ATOM     12  C   LIG    1        4.343   0.955  -0.452  0.00  0.00    +0.092 C 
ATOM     13  C   LIG    1        3.812  -0.405  -0.064  0.00  0.00    +0.168 C 
ATOM     14  O   LIG    1        4.608  -1.319   0.163  0.00  0.00    -0.292 OA
ENDBRANCH   1  13
TORSDOF 2