REMARK  Name = BDB020811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.490  -0.533  -0.111  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -2.168  -1.553   0.626  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -3.352  -2.024   0.114  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -3.738  -3.031   0.948  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.900  -3.123   1.956  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.936  -1.524  -1.052  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -3.313  -0.607  -1.740  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.911  -2.185   1.756  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.110  -0.138  -1.249  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        2.306   1.295   0.921  0.00  0.00    -0.173 NA
ATOM     11  C   LIG    1        1.078   2.125   0.978  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1       -0.017   1.557   0.075  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1       -0.217   0.074   0.306  0.00  0.00    -0.037 C 
ATOM     14  C   LIG    1        0.750  -0.634   0.922  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        2.075  -0.096   1.374  0.00  0.00    +0.137 C 
BRANCH  10  16
ATOM     16  S   LIG    1        3.267   1.498  -0.467  0.00  0.00    +0.061 S 
ATOM     17  O   LIG    1        2.762   0.616  -1.498  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1        3.418   2.917  -0.710  0.00  0.00    -0.153 OA
BRANCH  16  23
ATOM     19  C   LIG    1        8.690  -0.515   1.370  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        7.336  -0.037   0.932  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        6.768   1.105   1.513  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.524   1.571   1.085  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.850   0.893   0.066  0.00  0.00    +0.106 A 
ATOM     24  C   LIG    1        5.413  -0.232  -0.539  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        6.657  -0.693  -0.105  0.00  0.00    +0.005 A 
ENDBRANCH  16  23
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  26
ATOM     26  N   LIG    1       -5.151  -2.000  -1.500  0.00  0.00    -0.307 N 
ATOM     27  H   LIG    1       -5.292  -1.621  -2.439  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -6.373  -1.707  -0.746  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.795  -0.281  -0.788  0.00  0.00    +0.122 A 
ATOM     30  O   LIG    1       -7.377   0.144  -1.947  0.00  0.00    -0.466 OA
ATOM     31  C   LIG    1       -7.664   1.461  -1.784  0.00  0.00    +0.195 A 
ATOM     32  C   LIG    1       -7.277   1.889  -0.536  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -6.712   0.763   0.110  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   6  26
TORSDOF 6