REMARK  Name = BDB003032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.608  -1.253   0.019  0.00  0.00    +0.144 A 
ATOM      2  C   LIG    1       -0.369  -0.579   0.090  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1       -0.296   0.823  -0.069  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        1.065   1.454   0.143  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.265   0.566  -0.068  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        2.078  -0.820   0.067  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.180  -1.677  -0.017  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        4.451  -1.171  -0.293  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.631   0.198  -0.471  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.545   1.067  -0.355  0.00  0.00    +0.011 A 
ATOM     11  S   LIG    1        1.266   3.032   0.743  0.00  0.00    -0.051 S 
ATOM     12  C   LIG    1       -1.473   1.523  -0.394  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -2.691   0.838  -0.508  0.00  0.00    +0.050 A 
ATOM     14  N   LIG    1        0.804  -1.328   0.351  0.00  0.00    -0.351 N 
ATOM     15  H   LIG    1        0.665  -2.327   0.226  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1       -2.764  -0.537  -0.280  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -2.788  -3.310   0.274  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -1.550  -2.612   0.217  0.00  0.00    -0.493 OA
ENDBRANCH   1  18
BRANCH  12  19
ATOM     19  O   LIG    1       -1.422   2.850  -0.737  0.00  0.00    -0.494 OA
ATOM     20  C   LIG    1       -2.340   3.658  -0.001  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
TORSDOF 2