REMARK  Name = BDB032909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.036  -0.831  -0.596  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.880  -0.173   0.190  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.573   0.395   0.965  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.174  -1.624  -1.502  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.212   1.947  -0.718  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.989   0.750  -0.246  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1       -1.444  -0.548  -0.219  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -2.225  -1.644   0.173  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.542  -1.451   0.584  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.082  -0.167   0.599  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.313   0.925   0.187  0.00  0.00    +0.004 A 
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1        2.228  -0.294   0.002  0.00  0.00    +0.167 A 
ATOM     13  S   LIG    1        3.162   0.584   1.132  0.00  0.00    -0.030 S 
ATOM     14  C   LIG    1        4.575   0.023   0.359  0.00  0.00    +0.166 A 
ATOM     15  C   LIG    1        4.244  -0.789  -0.702  0.00  0.00    +0.152 A 
ATOM     16  N   LIG    1        2.887  -0.967  -0.906  0.00  0.00    -0.231 NA
BRANCH  14  17
ATOM     17  N   LIG    1        5.963   0.332   0.732  0.00  0.00    -0.022 NA
ATOM     18  O   LIG    1        6.090   1.082   1.706  0.00  0.00    -0.143 OA
ENDBRANCH  14  17
ENDBRANCH   2  12
TORSDOF 3