REMARK  Name = BDB059321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.674   0.826   1.712  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        1.969  -0.101   1.370  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -0.555   0.012   1.062  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        0.160   0.894   1.852  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -0.224   1.776   2.177  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -0.035  -0.963   0.524  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1       -4.262  -0.582   0.720  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.888  -0.791   0.861  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -2.003   0.291   0.910  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -2.488   1.597   0.783  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.858   1.808   0.634  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.743   0.724   0.608  0.00  0.00    +0.046 A 
BRANCH   7  13
ATOM     13  O   LIG    1       -5.007  -1.727   0.706  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -6.424  -1.635   0.561  0.00  0.00    +0.229 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -8.322  -1.544  -1.091  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -6.816  -1.625  -0.915  0.00  0.00    +0.038 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  S   LIG    1        2.354   2.075   0.750  0.00  0.00    +0.074 S 
ATOM     18  O   LIG    1        1.395   2.391  -0.289  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        2.854   3.101   1.638  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.733   1.236   0.021  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1        4.887   1.037   0.786  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        5.984   0.359   0.235  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        5.911  -0.112  -1.099  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        7.007  -0.799  -1.645  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        8.155  -1.030  -0.886  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        8.231  -0.563   0.424  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.748   0.117  -1.854  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        7.154   0.129   0.981  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        3.659   0.790  -1.299  0.00  0.00    +0.029 A 
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7