REMARK  Name = BDB032838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.682  -2.060   0.045  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        1.006  -3.010   0.169  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1       -0.656  -1.949  -0.233  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -1.304  -2.949  -0.539  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.386  -0.676  -0.068  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.232  -0.244  -1.094  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.953   0.941  -0.942  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.844   1.678   0.238  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.023   1.230   1.275  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.299   0.046   1.129  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  13
ATOM     11  C   LIG    1        3.168   0.712  -0.435  0.00  0.00    +0.166 A 
ATOM     12  S   LIG    1        1.520   0.402  -0.720  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        1.699  -1.144  -0.021  0.00  0.00    +0.167 A 
ATOM     14  N   LIG    1        2.916  -1.462   0.362  0.00  0.00    -0.231 NA
ATOM     15  C   LIG    1        3.761  -0.387   0.140  0.00  0.00    +0.152 A 
BRANCH  11  17
ATOM     16  O   LIG    1        3.222   2.849  -1.248  0.00  0.00    -0.143 OA
ATOM     17  N   LIG    1        3.902   1.946  -0.749  0.00  0.00    -0.022 NA
ENDBRANCH  11  17
ENDBRANCH   1  13
TORSDOF 3