REMARK  Name = BDB033972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.600  -0.721   0.503  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.839   1.160  -1.083  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.713   0.715   0.216  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -1.112   1.300   0.941  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.821   0.405  -2.050  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -1.150   3.135  -2.616  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -1.036   2.659  -1.179  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -2.017  -1.303   0.374  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -2.295  -1.812  -0.878  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1       -1.666  -1.537  -1.631  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.853  -1.210   1.270  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.649  -2.153  -1.274  0.00  0.00    +0.119 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.424  -0.922  -1.770  0.00  0.00    +0.096 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -3.796  -0.324  -2.953  0.00  0.00    -0.329 NA
ATOM     15  H   LIG    1       -4.274   0.545  -3.187  0.00  0.00    +0.118 HD
ATOM     16  H   LIG    1       -2.829  -0.063  -2.735  0.00  0.00    +0.118 HD
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  C   LIG    1       -0.080  -0.988   1.918  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.387  -0.703   2.017  0.00  0.00    +0.082 A 
ATOM     19  S   LIG    1        1.950   0.754   2.729  0.00  0.00    -0.072 S 
ATOM     20  C   LIG    1        3.576   0.272   2.431  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        3.572  -0.977   1.808  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        4.804  -1.572   1.468  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        6.000  -0.906   1.758  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        5.974   0.338   2.380  0.00  0.00    +0.042 A 
ATOM     25 CL   LIG    1        7.458   1.141   2.728  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.769   0.952   2.729  0.00  0.00    +0.037 A 
ATOM     27  N   LIG    1        2.319  -1.521   1.580  0.00  0.00    -0.244 NA
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8