REMARK  Name = BDB002257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.244   0.471   0.619  0.00  0.00    -0.106 NA
ATOM      2  H   LIG    1        0.459   0.924   1.206  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        0.409  -0.618  -0.532  0.00  0.00    +0.074 S 
ATOM      4  O   LIG    1       -0.082  -1.958  -0.295  0.00  0.00    -0.152 OA
ATOM      5  O   LIG    1        0.388  -0.001  -1.843  0.00  0.00    -0.152 OA
BRANCH   3   9
ATOM      6  C   LIG    1        4.777  -0.614   0.845  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        4.387   0.177  -0.239  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.054   0.178  -0.666  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        2.115  -0.612   0.002  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        2.495  -1.415   1.078  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        3.827  -1.407   1.497  0.00  0.00    +0.047 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.061   0.035   0.698  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        6.041  -0.703   1.360  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   3   9
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  N   LIG    1       -1.469   1.336   0.296  0.00  0.00    -0.234 N 
ATOM     15  C   LIG    1       -1.212   2.311  -0.774  0.00  0.00    +0.153 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -2.725   0.699   0.074  0.00  0.00    +0.154 A 
ATOM     17  C   LIG    1       -3.929   1.319   0.446  0.00  0.00    +0.083 A 
ATOM     18 CL   LIG    1       -3.990   2.858   1.229  0.00  0.00    -0.080 Cl
ATOM     19  C   LIG    1       -5.139   0.658   0.215  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -5.138  -0.614  -0.364  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -3.911  -1.157  -0.699  0.00  0.00    +0.125 A 
ATOM     22  N   LIG    1       -2.730  -0.532  -0.492  0.00  0.00    -0.237 NA
BRANCH  20  23
ATOM     23  C   LIG    1       -6.400  -1.364  -0.652  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1       -6.261  -2.712  -0.541  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -7.421  -1.025   0.183  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.859  -1.135  -1.912  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6