REMARK  Name = BDB065332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.980  -2.801   0.746  0.00  0.00    +0.059 S 
ATOM      2  O   LIG    1        1.500  -3.862  -0.086  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.757  -2.972   2.164  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        2.007  -1.377   0.500  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        2.320  -0.986  -0.806  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        3.121   0.143  -1.027  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        3.613   0.875   0.081  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.415   2.005  -0.146  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        4.728   2.409  -1.445  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.245   1.688  -2.533  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.293   0.457   1.384  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        3.446   0.562  -2.327  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.493  -0.667   1.597  0.00  0.00    +0.029 A 
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  N   LIG    1       -0.457  -2.307   0.067  0.00  0.00    -0.182 NA
ATOM     15  H   LIG    1       -0.856  -2.910  -0.656  0.00  0.00    +0.148 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -1.379  -1.484   0.850  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -2.795  -1.736  -1.085  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1       -2.595  -1.172  -0.007  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.583  -0.166   0.489  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -4.614   0.235  -0.376  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -5.562   1.172   0.040  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -5.480   1.706   1.320  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1       -6.387   2.604   1.721  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -4.468   1.317   2.192  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -3.517   0.379   1.780  0.00  0.00    +0.014 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 5