REMARK  Name = BDB002503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.422   0.680   2.274  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.483   0.245   1.598  0.00  0.00    +0.229 C 
ATOM      3  N   LIG    1        0.476   1.120   1.302  0.00  0.00    -0.264 N 
ATOM      4  H   LIG    1        0.597   2.063   1.639  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.671   0.831   0.629  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1       -1.722   2.166   0.426  0.00  0.00    -0.057 S 
ATOM      7  C   LIG    1       -2.806   1.148  -0.401  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -4.121   1.583  -0.950  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.663   0.523  -1.926  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1       -4.492  -0.908  -1.384  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1       -3.014  -1.259  -1.137  0.00  0.00    +0.056 C 
ATOM     12  C   LIG    1       -2.303  -0.137  -0.458  0.00  0.00    +0.054 A 
ATOM     13  N   LIG    1       -1.071  -0.314   0.136  0.00  0.00    -0.229 NA
ENDBRANCH   3   5
BRANCH   2  14
ATOM     14  C   LIG    1        1.400  -1.198   1.103  0.00  0.00    +0.172 C 
BRANCH  14  15
ATOM     15  S   LIG    1        2.884  -2.169   1.511  0.00  0.00    -0.090 S 
BRANCH  15  16
ATOM     16  C   LIG    1        4.072  -1.235   0.667  0.00  0.00    +0.126 C 
ATOM     17  S   LIG    1        5.703  -1.240   1.274  0.00  0.00    -0.098 S 
ATOM     18  C   LIG    1        6.047   0.226   0.290  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        5.068   0.083  -0.865  0.00  0.00    +0.154 C 
ATOM     20  N   LIG    1        3.814  -0.542  -0.393  0.00  0.00    -0.270 NA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 4