REMARK  Name = BDB005643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.808   1.007   0.225  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.558  -0.024  -0.393  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.870  -0.921  -1.235  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.551  -1.978  -1.849  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.060  -2.634  -2.440  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.881  -2.227  -1.683  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.638  -1.280  -0.830  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.115  -1.536  -0.676  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.877  -0.343  -0.086  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.087   0.306   1.045  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.765   0.640   0.553  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.185   1.216   1.167  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.417  -3.192  -2.221  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.502  -0.803  -1.478  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.238   0.214  -0.868  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.026  -0.240  -0.226  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.571   1.115  -0.023  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -0.785   3.005   1.551  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.475   1.853   1.081  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.721   0.360  -1.139  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.529   0.489   0.085  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        4.863   1.030  -0.246  0.00  0.00    +0.095 C 
ATOM     23  C   LIG    1        5.918   0.842   0.849  0.00  0.00    +0.084 C 
ATOM     24  S   LIG    1        6.376  -0.914   1.054  0.00  0.00    -0.158 S 
ATOM     25  C   LIG    1        4.783  -1.677   0.590  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1        3.587  -0.760   0.871  0.00  0.00    +0.095 C 
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 3