REMARK  Name = BDB061000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.302   2.511   2.069  0.00  0.00    -0.153 OA
ATOM      2  S   LIG    1       -0.194   1.881   0.773  0.00  0.00    +0.059 S 
ATOM      3  O   LIG    1       -0.331   2.626  -0.460  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.322   0.503   0.766  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.667   0.659   0.324  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -3.483  -0.502   0.299  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.817  -0.422  -0.134  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -5.373   0.790  -0.535  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.602   1.941  -0.503  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.968  -1.740   0.714  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.658  -1.860   1.169  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.272   1.879  -0.077  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.836  -0.742   1.198  0.00  0.00    +0.029 A 
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        1.328   1.175   0.731  0.00  0.00    -0.186 NA
ATOM     15  H   LIG    1        1.960   1.547   1.438  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.887   0.848  -0.578  0.00  0.00    +0.141 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.061  -0.089  -0.431  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        4.359   0.415  -0.265  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.439  -0.453  -0.102  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.232  -1.832  -0.096  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.946  -2.344  -0.250  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.864  -1.478  -0.413  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 4