REMARK  Name = BDB023185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.801  -0.518   0.681  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.005  -1.025   1.058  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.590   0.548  -0.193  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.494   1.161  -0.740  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.816   0.815  -0.400  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.751   0.032   0.233  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.979   0.494  -0.133  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.850   1.567  -1.002  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.024   2.158  -1.482  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.269   1.665  -1.078  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.373   0.587  -0.187  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.969   3.193  -2.332  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.201  -0.025   0.294  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.456   1.769  -1.170  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.640   0.097   0.200  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.963  -0.627   1.398  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.431  -0.320   1.085  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -7.882   0.819   0.221  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        2.276  -1.043   1.210  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        2.966   0.068   1.822  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.997  -2.238   1.983  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        4.157  -0.895  -0.871  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.082  -1.578  -0.283  0.00  0.00    +0.116 A 
ATOM     24  C   LIG    1        2.609  -2.776  -0.853  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1        3.187  -3.284  -2.014  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.243  -2.606  -2.612  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.724  -1.424  -2.044  0.00  0.00    +0.010 A 
BRANCH  22  29
ATOM     28  C   LIG    1        5.894   0.342   0.335  0.00  0.00    +0.092 C 
ATOM     29  C   LIG    1        4.746   0.344  -0.359  0.00  0.00    +0.017 C 
BRANCH  28  30
ATOM     30  C   LIG    1        6.453   1.612   0.838  0.00  0.00    +0.332 C 
ATOM     31  O   LIG    1        6.043   2.727   0.563  0.00  0.00    -0.246 OA
BRANCH  30  33
ATOM     32  C   LIG    1        8.139   2.462   2.203  0.00  0.00    +0.280 C 
ATOM     33  O   LIG    1        7.510   1.314   1.635  0.00  0.00    -0.465 OA
ENDBRANCH  30  33
ENDBRANCH  28  30
ENDBRANCH  22  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7