REMARK  Name = BDB059310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.648  -0.391   2.537  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.009  -0.966   1.661  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.572  -1.906   0.816  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.089  -2.216  -0.024  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.427  -0.675   1.455  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.961  -0.530   0.166  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.322  -0.242  -0.013  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -4.130  -0.098   1.126  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.586  -0.220   2.406  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -4.597  -0.020   3.784  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -2.236  -0.500   2.579  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.875  -0.088  -1.357  0.00  0.00    +0.135 A 
ATOM     13  O   LIG    1       -5.237   0.002  -1.444  0.00  0.00    -0.463 OA
ATOM     14  C   LIG    1       -5.554   0.135  -2.757  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -4.416   0.133  -3.527  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -3.332  -0.011  -2.626  0.00  0.00    +0.050 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.098  -1.847   0.699  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.520  -1.513   1.578  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.659  -0.930  -0.644  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.522  -0.219  -1.198  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.459  -1.811  -1.466  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.729   0.243   0.142  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        3.171   1.333   0.816  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.010   2.260   1.433  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.395   2.101   1.367  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.947   1.016   0.683  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.115   0.083   0.065  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5