REMARK  Name = BDB058887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.077   1.526   1.336  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.980   0.352   0.989  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.242  -0.222   0.673  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.262  -0.990  -0.001  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.179  -0.515   0.844  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -3.425   0.102   0.657  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -4.599  -0.656   0.512  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -4.489  -2.056   0.570  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.254  -2.678   0.770  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.099  -1.911   0.910  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.904  -0.004   0.311  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -6.348   1.010   1.176  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -7.587   1.630   0.986  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -8.403   1.245  -0.075  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.982   0.243  -0.945  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.744  -0.376  -0.753  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        1.404   0.784   0.500  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        1.090   1.723   0.797  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        1.968   0.893  -1.114  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.525   2.166  -1.637  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.638  -0.360  -1.765  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.720   0.952  -0.863  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.423  -0.240  -0.661  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        5.814  -0.214  -0.481  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        6.496   1.026  -0.514  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        7.888   1.047  -0.333  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        8.598  -0.136  -0.123  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.927  -1.355  -0.092  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.771   2.210  -0.730  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        6.543  -1.395  -0.270  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        4.387   2.177  -0.908  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5