REMARK  Name = BDB018625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.736   0.294  -1.953  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.855   1.295  -1.517  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.485   1.205  -1.801  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.004   0.148  -2.568  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        1.295   0.066  -2.888  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.866  -0.847  -3.014  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -2.227  -0.776  -2.706  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.403   2.291  -1.350  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        1.535   2.001  -0.584  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1        1.690   0.775   0.211  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1        3.163   0.348   0.336  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        3.685  -0.248  -0.972  0.00  0.00    +0.032 C 
ATOM     13  N   LIG    1        3.962   1.490   0.743  0.00  0.00    -0.304 N 
ATOM     14  C   LIG    1        3.586   2.789   0.511  0.00  0.00    +0.152 A 
ATOM     15  N   LIG    1        4.506   3.591   1.000  0.00  0.00    -0.132 NA
ATOM     16  N   LIG    1        5.491   2.810   1.557  0.00  0.00    -0.127 NA
ATOM     17  C   LIG    1        5.159   1.540   1.407  0.00  0.00    +0.190 A 
ATOM     18  C   LIG    1        2.306   3.170  -0.145  0.00  0.00    +0.184 C 
ATOM     19  O   LIG    1        0.078   3.438  -1.652  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.934   0.423   1.866  0.00  0.00    +0.145 A 
ATOM     21  S   LIG    1        7.462   0.633   2.632  0.00  0.00    -0.073 S 
ATOM     22  C   LIG    1        7.607  -1.065   2.801  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1        6.494  -1.678   2.272  0.00  0.00    +0.119 A 
ATOM     24  N   LIG    1        5.540  -0.831   1.742  0.00  0.00    -0.244 NA
ENDBRANCH  17  20
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1       -4.217   0.392  -1.660  0.00  0.00    +0.092 C 
BRANCH  25  35
ATOM     26  C   LIG    1       -3.997   0.289   1.320  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1       -4.600  -0.883   0.605  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1       -5.038  -2.010   1.201  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.959  -2.339   2.664  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -5.674  -3.081   0.379  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -6.094  -4.119   0.881  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -5.772  -2.840  -0.962  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -6.206  -3.559  -1.530  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -5.314  -1.742  -1.609  0.00  0.00    -0.175 NA
ATOM     35  C   LIG    1       -4.757  -0.813  -0.890  0.00  0.00    +0.069 A 
ENDBRANCH  25  35
ENDBRANCH   1  25
TORSDOF 4