REMARK  Name = BDB050062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.228  -1.153   0.188  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1        1.002  -0.764   0.091  0.00  0.00    -0.127 NA
ATOM      3  N   LIG    1        0.699  -0.310  -1.165  0.00  0.00    -0.208 N 
ATOM      4  C   LIG    1        1.550  -0.286  -2.264  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.940   0.146  -3.347  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.338   0.426  -2.942  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1        2.882  -0.722  -2.071  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -0.524   0.165  -1.596  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        3.261  -1.159  -0.864  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.701   0.315  -0.760  0.00  0.00    +0.095 A 
ATOM     11  N   LIG    1       -1.496   0.956   0.403  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -2.564   1.122   1.195  0.00  0.00    +0.189 A 
ATOM     13  N   LIG    1       -3.808   0.711   0.894  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1       -3.966   0.090  -0.287  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1       -2.937  -0.135  -1.167  0.00  0.00    +0.050 A 
BRANCH  12  16
ATOM     16  S   LIG    1       -2.362   1.941   2.758  0.00  0.00    -0.089 S 
ATOM     17  C   LIG    1       -0.591   2.305   2.702  0.00  0.00    +0.093 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  19
ATOM     18  C   LIG    1        1.891  -1.708   2.460  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1        2.769  -1.642   1.330  0.00  0.00    -0.479 OA
ENDBRANCH   1  19
TORSDOF 3