REMARK  Name = BDB032585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.782  -0.593   0.408  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1        0.611  -0.011  -0.779  0.00  0.00    -0.061 NA
ATOM      3  O   LIG    1       -0.737   0.278  -0.867  0.00  0.00    -0.353 OA
ATOM      4  C   LIG    1       -1.372  -0.117   0.274  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1       -0.435  -0.671   1.117  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.809   0.124   0.343  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.537  -0.230   1.490  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.915  -0.002   1.566  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.586   0.583   0.496  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.881   0.941  -0.650  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.504   0.713  -0.725  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  12
ATOM     12  N   LIG    1        2.002  -1.023   0.905  0.00  0.00    -0.201 N 
ATOM     13  H   LIG    1        2.016  -1.562   1.766  0.00  0.00    +0.175 HD
BRANCH  12  15
ATOM     14  O   LIG    1        4.404  -1.629   0.820  0.00  0.00    -0.155 OA
ATOM     15  S   LIG    1        3.298  -1.393  -0.087  0.00  0.00    +0.047 S 
ATOM     16  O   LIG    1        2.880  -2.432  -1.004  0.00  0.00    -0.155 OA
BRANCH  15  17
ATOM     17  C   LIG    1        3.695   0.063  -1.094  0.00  0.00    +0.151 C 
ATOM     18  C   LIG    1        4.253   1.224  -0.313  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1        5.158   0.404  -1.193  0.00  0.00    +0.030 C 
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 4