REMARK  Name = BDB030312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.354  -0.022   0.999  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.605  -0.412   1.494  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.767  -0.010   0.834  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        4.018  -0.418   1.342  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        4.066  -0.987   2.176  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.240  -0.089   0.784  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.190   0.738  -0.417  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.977   1.152  -0.936  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.166   2.102  -2.335  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        5.872   1.976  -2.266  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.289   1.220  -1.193  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        6.291  -0.480   1.282  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        2.696   0.792  -0.325  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        1.444   1.191  -0.803  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.277   0.789  -0.142  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -0.784  -0.772   2.920  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -0.861  -0.469   1.735  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -2.028  -0.551   1.008  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.982  -0.547  -0.001  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.223  -1.090   1.614  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.408  -0.887   0.714  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -4.861  -1.912  -0.121  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -5.939  -1.660  -0.956  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -6.580  -0.474  -1.018  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -6.125   0.505  -0.207  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -5.056   0.351   0.661  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3