REMARK  Name = BDB036889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.012  -1.208   1.534  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1       -1.325  -1.261   2.510  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.043  -1.608   0.547  0.00  0.00    +0.163 C 
ATOM      4  C   LIG    1       -3.373  -1.089   1.100  0.00  0.00    +0.238 C 
ATOM      5  O   LIG    1       -3.889  -1.567   2.110  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -3.915   0.019   0.500  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.758   0.377   0.928  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.259   0.907  -0.313  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -3.721   2.024  -0.529  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -1.921   0.470  -0.856  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -1.791  -1.045  -0.845  0.00  0.00    +0.039 C 
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  S   LIG    1        0.519  -1.908   1.424  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        0.431  -3.044   0.535  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        1.002  -2.025   2.781  0.00  0.00    -0.153 OA
BRANCH  12  19
ATOM     15  C   LIG    1        3.727   2.502  -1.232  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        2.914   1.417  -0.589  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        2.343   1.617   0.676  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        1.614   0.599   1.291  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        1.459  -0.627   0.639  0.00  0.00    +0.105 A 
ATOM     20  C   LIG    1        2.044  -0.851  -0.609  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        2.772   0.172  -1.218  0.00  0.00    +0.005 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 3