REMARK  Name = BDB023264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.097  -0.507  -1.275  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.142  -0.514  -0.261  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.073  -0.072  -1.914  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.115   0.202  -3.104  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.210   0.020  -1.016  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.379   0.537  -1.519  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.299   0.538  -0.519  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.745   0.024   0.641  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.562  -0.044   1.775  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.887   0.396   1.709  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.428   0.905   0.518  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.083  -0.526   2.931  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.614   0.990  -0.626  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.403  -0.310   0.318  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.764   1.354   0.475  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        7.854   0.970   1.324  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        8.806   1.573   0.280  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        9.296   2.807   0.556  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        7.605   1.514  -0.676  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.589  -0.358  -2.000  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -2.871   1.045  -2.207  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.671  -1.336  -3.063  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.538  -0.466   0.599  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.703  -0.893  -0.720  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.759  -1.748  -1.058  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -5.651  -2.190  -0.071  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1       -5.471  -1.762   1.252  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -4.414  -0.914   1.588  0.00  0.00    +0.048 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.803  -3.093  -0.434  0.00  0.00    +0.032 C 
ATOM     30  C   LIG    1       -8.039  -2.300  -0.831  0.00  0.00    +0.009 C 
ENDBRANCH  26  29
BRANCH  23  31
ATOM     31  O   LIG    1       -2.466   0.312   0.950  0.00  0.00    -0.490 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -1.654   2.533   1.268  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -2.887   1.648   1.273  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7