REMARK  Name = BDB059558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.125   1.191   1.676  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.659   2.401   1.806  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.036   0.764   2.716  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        2.983  -0.916   0.171  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1        2.827  -2.148   0.821  0.00  0.00    +0.165 A 
ATOM      6  F   LIG    1        3.683  -3.151   0.573  0.00  0.00    -0.202 F 
ATOM      7  C   LIG    1        1.798  -2.368   1.736  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        0.890  -1.348   2.011  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        1.027  -0.123   1.351  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1        2.070   0.103   0.441  0.00  0.00    +0.077 A 
BRANCH   4  11
ATOM     11  O   LIG    1        4.030  -0.840  -0.705  0.00  0.00    -0.489 OA
BRANCH  11  13
ATOM     12  C   LIG    1        3.704   0.706  -2.541  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        4.408   0.435  -1.223  0.00  0.00    +0.226 C 
ENDBRANCH  11  13
ENDBRANCH   4  11
ENDBRANCH   1   9
BRANCH   1  14
ATOM     14  N   LIG    1       -0.969   1.307   0.203  0.00  0.00    -0.215 N 
ATOM     15  H   LIG    1       -1.208   2.301   0.074  0.00  0.00    +0.174 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.083   0.412   0.041  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -3.391   0.774   0.410  0.00  0.00    +0.081 A 
ATOM     18  C   LIG    1       -4.423  -0.173   0.320  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -4.153  -1.466  -0.132  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.857  -1.821  -0.500  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.824  -0.886  -0.411  0.00  0.00    +0.025 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -3.677   2.160   0.850  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1       -2.922   3.108   0.717  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.885   2.298   1.423  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -4.920   3.240   1.694  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 7