REMARK  Name = BDB003569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.557   0.398   0.259  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        1.832   0.773  -0.886  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        0.445   0.987  -0.827  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.230   0.798   0.379  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.481   0.441   1.532  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.861   0.240   1.467  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.603  -1.080   0.432  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        4.014   0.182   0.190  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.853   1.267  -0.129  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.237   1.112  -0.203  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.806  -0.132   0.042  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.995  -1.224   0.359  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.282  -3.415   0.834  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        3.738  -2.106   0.728  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.419   1.372  -2.327  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        0.534   1.207  -3.412  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1       -1.650   0.606  -2.344  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -0.792   3.102  -2.243  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.671   1.051   0.536  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.529  -0.028   0.734  0.00  0.00    -0.297 N 
ATOM     21  C   LIG    1       -2.150  -1.413   0.458  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -2.007   2.232   0.548  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.954   0.262   0.983  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -4.530  -0.622   2.091  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.705   0.242  -0.330  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -5.482  -0.949  -0.842  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.214   0.288  -0.398  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6