REMARK  Name = BDB009290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.068   0.249   1.049  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        1.304   0.185   0.381  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.431  -0.344   1.019  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        2.325  -0.750   2.353  0.00  0.00    +0.146 A 
ATOM      5  F   LIG    1        3.408  -1.192   3.012  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.110  -0.694   3.028  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -0.019  -0.200   2.376  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.734  -0.329   0.401  0.00  0.00    -0.205 N 
ATOM      9  S   LIG    1        3.838  -0.987  -1.163  0.00  0.00    +0.046 S 
ATOM     10  O   LIG    1        3.183  -2.277  -1.182  0.00  0.00    -0.155 OA
ATOM     11  O   LIG    1        3.487   0.046  -2.117  0.00  0.00    -0.155 OA
ATOM     12  C   LIG    1        5.598  -1.257  -1.246  0.00  0.00    +0.189 C 
ATOM     13  C   LIG    1        6.369   0.015  -0.920  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1        6.025   0.561   0.468  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1        4.541   0.892   0.625  0.00  0.00    +0.131 C 
ENDBRANCH   3   8
BRANCH   1  16
ATOM     16  C   LIG    1       -1.155   0.796   0.345  0.00  0.00    +0.092 C 
BRANCH  16  25
ATOM     17  O   LIG    1       -4.956  -2.993  -0.961  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -4.139  -2.119  -0.688  0.00  0.00    +0.268 A 
ATOM     19  C   LIG    1       -4.510  -0.681  -0.673  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -5.938  -0.352  -1.011  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -6.314   1.093  -0.674  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.211   2.057  -1.094  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.889   1.721  -0.397  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.587   0.248  -0.374  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -2.213  -0.241  -0.029  0.00  0.00    +0.069 A 
ATOM     26  N   LIG    1       -1.876  -1.496  -0.056  0.00  0.00    -0.175 NA
ATOM     27  N   LIG    1       -2.835  -2.401  -0.387  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.551  -3.375  -0.402  0.00  0.00    +0.192 HD
ENDBRANCH  16  25
ENDBRANCH   1  16
TORSDOF 3