REMARK  Name = BDB009064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.951  -1.184  -0.887  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.869  -0.741  -0.122  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.435  -1.204  -0.375  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.646  -2.123  -1.409  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.425  -2.570  -2.178  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.715  -2.103  -1.918  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.780   0.126   0.247  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        3.287  -0.772  -0.692  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        3.952  -1.149  -1.349  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.080   0.725   1.058  0.00  0.00    -0.269 OA
BRANCH   7  14
ATOM     11  C   LIG    1        8.665   2.126   0.810  0.00  0.00    +0.051 C 
ATOM     12  C   LIG    1        7.514   1.250   0.451  0.00  0.00    -0.013 A 
ATOM     13  S   LIG    1        5.929   1.699   0.905  0.00  0.00    -0.089 S 
ATOM     14  C   LIG    1        5.234   0.304   0.181  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1        6.217  -0.497  -0.378  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        7.526   0.051  -0.227  0.00  0.00    +0.011 A 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -1.594  -0.713   0.463  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.569   0.227  -0.246  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.909   0.454   0.389  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.246  -0.185   1.707  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -5.490   0.415   2.371  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.607   0.626   1.355  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -6.156   1.558   0.229  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.767   1.257  -0.263  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.358   1.904  -1.534  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -5.114   2.645  -2.154  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -3.088   1.629  -1.962  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.781   2.066  -2.824  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.198   0.805  -1.349  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4