REMARK  Name = BDB009167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315  -0.601  -1.425  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        0.896  -1.103  -0.250  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.146  -0.647   0.183  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        2.846   0.269  -0.610  0.00  0.00    +0.146 A 
ATOM      5  F   LIG    1        4.071   0.686  -0.255  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        2.288   0.770  -1.782  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        1.025   0.339  -2.188  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        2.705  -1.266   1.358  0.00  0.00    -0.205 N 
ATOM      9  S   LIG    1        3.519  -2.758   1.046  0.00  0.00    +0.046 S 
ATOM     10  O   LIG    1        2.669  -3.837   1.498  0.00  0.00    -0.155 OA
ATOM     11  O   LIG    1        4.106  -2.733  -0.276  0.00  0.00    -0.155 OA
ATOM     12  C   LIG    1        4.810  -2.471   2.240  0.00  0.00    +0.190 C 
ATOM     13  C   LIG    1        4.920  -0.960   2.311  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1        3.486  -0.435   2.313  0.00  0.00    +0.133 C 
ENDBRANCH   3   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.035  -1.102  -1.886  0.00  0.00    +0.092 C 
BRANCH  15  24
ATOM     16  O   LIG    1       -4.636   2.985  -2.738  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.851   2.075  -2.491  0.00  0.00    +0.268 A 
ATOM     18  C   LIG    1       -3.582   1.627  -1.102  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.308   2.365  -0.011  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.747   2.077   1.383  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.458   0.592   1.557  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -2.450   0.099   0.513  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.727   0.616  -0.871  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.060   0.014  -2.069  0.00  0.00    +0.069 A 
ATOM     25  N   LIG    1       -2.284   0.398  -3.292  0.00  0.00    -0.175 NA
ATOM     26  N   LIG    1       -3.176   1.407  -3.476  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -3.346   1.696  -4.433  0.00  0.00    +0.192 HD
ENDBRANCH  15  24
ENDBRANCH   1  15
TORSDOF 3