REMARK  Name = BDB001641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.118  -0.480  -0.039  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1        1.477   0.046   0.018  0.00  0.00    +0.002 A 
ATOM      3  C   LIG    1        2.363  -0.710  -0.756  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        3.731  -0.383  -0.860  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        4.219   0.728  -0.172  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.369   1.500   0.603  0.00  0.00    +0.001 A 
ATOM      7  S   LIG    1        1.569  -2.029  -1.516  0.00  0.00    -0.096 S 
ATOM      8  C   LIG    1        2.014   1.171   0.702  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.068  -1.612  -0.831  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -0.864   0.780   1.689  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1       -1.036   0.092   0.682  0.00  0.00    +0.280 C 
ATOM     12  N   LIG    1       -2.394  -0.080   0.297  0.00  0.00    -0.204 N 
ATOM     13  N   LIG    1       -2.753  -0.740  -0.843  0.00  0.00    -0.172 NA
ATOM     14  C   LIG    1       -4.085  -0.670  -0.870  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -4.614   0.024   0.227  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -3.515   0.396   0.959  0.00  0.00    +0.118 A 
ENDBRANCH   1  11
TORSDOF 1