REMARK  Name = BDB058905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.466  -2.002   2.189  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.760  -1.663   1.242  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.286  -1.040   0.124  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.699  -0.558  -0.554  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.703  -1.926   1.247  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.616  -1.112   0.561  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -2.995  -1.392   0.586  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.434  -2.504   1.325  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.532  -3.306   2.027  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.170  -3.015   1.992  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.953  -0.540  -0.139  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -3.983   0.850   0.062  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.889   1.658  -0.630  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.780   1.090  -1.536  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.768  -0.286  -1.750  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.862  -1.093  -1.057  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.691  -0.440   0.297  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        3.094  -0.756   1.195  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.700   1.274   0.278  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.523   1.699  -0.456  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.956   1.714   1.631  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.130   1.599  -0.714  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.021   1.566  -2.107  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.141   1.843  -2.890  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.358   2.159  -2.282  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.459   2.203  -0.890  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.343   1.927  -0.100  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5