REMARK  Name = BDB057336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.607  -1.400   0.329  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.544  -1.704   1.163  0.00  0.00    +0.073 A 
ATOM      3  C   LIG    1        0.597  -0.599   1.229  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.943   0.447   0.360  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.140   1.616   0.203  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.036   1.694   0.980  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.384   0.691   1.867  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.575  -0.431   2.011  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        2.432   0.092  -0.431  0.00  0.00    -0.072 S 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.901  -2.911  -1.464  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1        5.721  -2.959  -0.637  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1        5.850  -3.267   0.315  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1        4.722  -2.014  -0.818  0.00  0.00    +0.304 C 
ATOM     14  N   LIG    1        3.725  -2.192   0.117  0.00  0.00    -0.263 N 
ATOM     15  H   LIG    1        3.751  -3.058   0.647  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1        4.770  -1.182  -1.713  0.00  0.00    -0.253 OA
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        1.482  -2.990   1.859  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        2.478  -3.673   2.088  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        0.243  -3.467   2.178  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -0.601  -3.097   1.760  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        0.200  -4.412   2.535  0.00  0.00    +0.145 HD
ENDBRANCH   2  17
BRANCH   5  22
ATOM     22  C   LIG    1        0.476   2.746  -0.765  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -0.575   2.863  -1.873  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        0.662   4.081  -0.038  0.00  0.00    +0.012 C 
ENDBRANCH   5  22
BRANCH   7  25
ATOM     25  N   LIG    1       -2.626   0.753   2.558  0.00  0.00    -0.216 N 
ATOM     26  H   LIG    1       -2.981   1.674   2.811  0.00  0.00    +0.174 HD
BRANCH  25  27
ATOM     27  S   LIG    1       -3.873  -0.271   2.029  0.00  0.00    +0.072 S 
ATOM     28  O   LIG    1       -3.402  -1.641   2.045  0.00  0.00    -0.150 OA
ATOM     29  O   LIG    1       -5.061   0.127   2.753  0.00  0.00    -0.150 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -4.088   0.219   0.331  0.00  0.00    +0.108 A 
ATOM     31  C   LIG    1       -3.437  -0.486  -0.685  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1       -3.602  -0.088  -2.011  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.425   0.998  -2.316  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.091   1.685  -1.300  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -4.929   1.295   0.029  0.00  0.00    +0.029 A 
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH   7  25
TORSDOF 6