REMARK  Name = BDB030279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   0.870   0.004  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.195  -0.354   0.209  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.590  -0.389   0.266  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -3.235  -1.628   0.472  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -2.695  -2.474   0.585  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.605  -1.800   0.549  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -5.410  -0.594   0.400  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.805   0.634   0.199  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -5.940   1.894   0.052  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -7.255   0.817   0.256  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.834  -0.483   0.433  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -5.092  -2.912   0.729  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.352   0.792   0.126  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.692   2.010  -0.060  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -1.295   2.048  -0.115  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.604  -0.120  -0.579  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.087  -0.871  -1.014  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        0.937   0.969  -0.058  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        1.499   1.990   0.318  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1        3.051  -0.120  -0.715  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.760  -0.452   0.615  0.00  0.00    +0.102 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.832   0.795   0.339  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        5.231  -0.511   0.603  0.00  0.00    -0.307 NA
ATOM     24  C   LIG    1        5.755  -1.524  -0.307  0.00  0.00    +0.104 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4