REMARK  Name = BDB032988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -0.191   0.845  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.824   0.257   0.085  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.672   0.893  -0.684  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.211  -1.014   1.748  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.590  -1.888   0.201  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.650  -0.386   0.155  0.00  0.00    -0.036 A 
ATOM      7  C   LIG    1       -1.535   0.419   0.465  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.637   1.822   0.438  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -2.846   2.427   0.094  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -3.944   1.633  -0.211  0.00  0.00    +0.124 A 
ATOM     11  F   LIG    1       -5.106   2.215  -0.536  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.860   0.244  -0.179  0.00  0.00    +0.042 A 
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1        2.103  -0.183   0.281  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.236   0.473  -0.820  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        4.456  -0.425  -0.044  0.00  0.00    +0.185 A 
ATOM     16  C   LIG    1        3.937  -1.161   0.995  0.00  0.00    +0.153 A 
ATOM     17  N   LIG    1        2.574  -1.012   1.177  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        5.817  -0.374  -0.469  0.00  0.00    +0.065 N 
ATOM     19  O   LIG    1        6.618  -1.071   0.167  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        6.101   0.352  -1.429  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 3