REMARK  Name = BDB023199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.635   1.682  -0.325  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.868   1.712  -0.991  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.461   1.042   0.903  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -2.381   0.822   1.677  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.092   0.634   1.123  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.850   0.879   0.153  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.037   0.395   0.611  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.875  -0.164   1.869  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.007  -0.707   2.488  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.243  -0.676   1.834  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.378  -0.114   0.555  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.920  -1.258   3.707  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.252   0.446  -0.073  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.503  -0.008   2.193  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.638  -0.080  -0.082  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.750  -0.961   0.140  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.336  -0.411  -1.165  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.898   0.004  -1.492  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.071   2.284  -0.881  0.00  0.00    +0.080 S 
ATOM     20  O   LIG    1       -2.845   2.622  -2.272  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.491   3.296   0.063  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -7.781   0.212   0.095  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1       -6.372   0.015  -0.383  0.00  0.00    -0.013 A 
ATOM     24  C   LIG    1       -5.483   1.099  -0.407  0.00  0.00    +0.156 A 
ATOM     25  F   LIG    1       -5.932   2.295  -0.003  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -4.183   0.938  -0.866  0.00  0.00    +0.179 A 
ATOM     27  C   LIG    1       -3.767  -0.302  -1.329  0.00  0.00    +0.153 A 
ATOM     28  F   LIG    1       -2.522  -0.489  -1.790  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1       -4.638  -1.389  -1.325  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -5.942  -1.232  -0.853  0.00  0.00    +0.009 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 4