REMARK  Name = BDB023391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.604   0.147   0.923  0.00  0.00    +0.192 A 
ATOM      2  O   LIG    1       -0.248  -0.704   0.264  0.00  0.00    -0.450 OA
ATOM      3  C   LIG    1       -1.510  -0.223   0.430  0.00  0.00    +0.137 A 
ATOM      4  C   LIG    1       -1.494   0.938   1.190  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -2.715   1.588   1.468  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -3.890   1.001   0.935  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.892  -0.185   0.175  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -2.661  -0.807  -0.089  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.125   1.169   1.502  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        2.860   0.593   1.447  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1        2.025  -0.121   0.914  0.00  0.00    +0.298 C 
ATOM     12  N   LIG    1        2.337  -1.282   0.205  0.00  0.00    -0.179 N 
ATOM     13  H   LIG    1        1.593  -1.813  -0.241  0.00  0.00    +0.177 HD
BRANCH  12  14
ATOM     14  S   LIG    1        3.846  -1.927   0.041  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        4.474  -2.016   1.339  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.676  -3.108  -0.781  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.696  -0.718  -0.940  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        4.597  -0.768  -2.334  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.285   0.169  -3.106  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.073   1.141  -2.486  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.181   1.177  -1.095  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.497   0.243  -0.317  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   5  23
ATOM     23  C   LIG    1       -2.794   2.863   2.265  0.00  0.00    +0.418 C 
ATOM     24  F   LIG    1       -4.063   3.203   2.625  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -2.302   3.931   1.579  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -2.083   2.803   3.425  0.00  0.00    -0.166 F 
ENDBRANCH   5  23
BRANCH   7  27
ATOM     27  C   LIG    1       -5.180  -0.754  -0.372  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -5.559  -2.187  -0.078  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -6.325  -1.071   0.563  0.00  0.00    +0.009 C 
ENDBRANCH   7  27
TORSDOF 5