REMARK  Name = BDB002259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.363   1.280   1.661  0.00  0.00    +0.092 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.455   0.602  -0.407  0.00  0.00    +0.123 A 
ATOM      3  C   LIG    1        2.621   0.334   0.721  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        1.514   1.167   0.715  0.00  0.00    +0.033 A 
ATOM      5  S   LIG    1        1.616   2.180  -0.664  0.00  0.00    +0.010 S 
ATOM      6  N   LIG    1        3.041   1.561  -1.231  0.00  0.00    -0.203 NA
BRANCH   2   8
ATOM      7  C   LIG    1        5.534   0.537  -2.244  0.00  0.00    +0.091 C 
ATOM      8  S   LIG    1        4.954  -0.267  -0.734  0.00  0.00    -0.107 S 
ENDBRANCH   2   8
BRANCH   3   9
ATOM      9  C   LIG    1        2.856  -0.650   1.729  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        2.985  -1.438   2.571  0.00  0.00    -0.191 NA
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  11
ATOM     11  C   LIG    1       -0.757   0.405   1.167  0.00  0.00    +0.089 C 
ATOM     12  N   LIG    1       -1.824   0.927   0.655  0.00  0.00    -0.259 NA
BRANCH  12  13
ATOM     13  C   LIG    1       -2.790   0.019   0.204  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.760  -0.444  -1.116  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -3.729  -1.339  -1.571  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -4.732  -1.759  -0.705  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       -5.663  -2.617  -1.140  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -4.786  -1.297   0.606  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1       -3.815  -0.402   1.058  0.00  0.00    +0.030 A 
ENDBRANCH  12  13
ENDBRANCH   1  11
TORSDOF 5