REMARK  Name = BDB030303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352  -1.159   0.497  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.073  -0.203   1.224  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.364   0.140   0.815  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -3.081   1.105   1.555  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -2.669   1.534   2.371  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.362   1.533   1.258  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -4.984   0.924   0.088  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.305  -0.025  -0.654  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -5.226  -0.592  -1.969  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -6.544   0.421  -1.563  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.286   1.181  -0.443  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -4.921   2.378   1.951  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.950  -0.465  -0.318  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.227  -1.429  -1.026  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.936  -1.777  -0.616  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        1.421  -2.698   0.632  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        1.024  -1.568   0.891  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        1.790  -0.605   1.511  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.498   0.360   1.455  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.191  -0.831   1.795  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.058  -0.175   0.751  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.274  -0.804  -0.483  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.056  -0.193  -1.464  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.625   1.056  -1.222  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.412   1.695  -0.002  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.629   1.085   0.980  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3