REMARK  Name = BDB059177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.153   2.085   0.790  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        1.111   1.399   0.157  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        1.046   0.045   0.179  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.048  -0.630   0.862  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.897   0.171   1.481  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.853   1.521   1.464  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.137  -0.613  -0.563  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        3.477  -0.296  -0.284  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        4.526  -0.910  -0.975  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.262  -1.861  -1.964  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        5.384  -2.497  -2.729  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.932  -2.162  -2.274  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.884  -1.545  -1.583  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   4  14
ATOM     14  C   LIG    1        0.013  -2.053   0.959  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -0.038  -3.208   1.063  0.00  0.00    -0.191 NA
ENDBRANCH   4  14
BRANCH   1  16
ATOM     16  S   LIG    1        0.281   3.849   0.753  0.00  0.00    -0.073 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.471   4.275   0.964  0.00  0.00    +0.165 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -1.859   6.910   0.750  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -1.682   5.725   0.846  0.00  0.00    -0.094 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1       -2.279  -0.492   2.409  0.00  0.00    -0.027 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.319  -0.857   1.078  0.00  0.00    +0.215 A 
ATOM     22  N   LIG    1       -4.584  -1.348   1.218  0.00  0.00    -0.223 N 
ATOM     23  C   LIG    1       -5.326  -1.664   2.406  0.00  0.00    +0.177 C 
ATOM     24  N   LIG    1       -5.128  -1.530   0.001  0.00  0.00    -0.043 NA
ATOM     25  N   LIG    1       -4.189  -1.158  -0.859  0.00  0.00    -0.022 NA
ATOM     26  N   LIG    1       -3.056  -0.739  -0.204  0.00  0.00    -0.101 NA
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7