REMARK  Name = BDB051489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.925  -0.664  -0.729  0.00  0.00    -0.277 N 
ATOM      2  C   LIG    1       -1.811   0.387  -0.592  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1       -1.553   1.575  -0.713  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -3.165  -0.120  -0.249  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -4.289   0.839  -0.100  0.00  0.00    +0.051 C 
ATOM      6  C   LIG    1       -3.136  -1.451  -0.114  0.00  0.00    +0.103 A 
ATOM      7 CL   LIG    1       -4.488  -2.422   0.287  0.00  0.00    -0.074 Cl
ATOM      8  S   LIG    1       -1.591  -2.183  -0.376  0.00  0.00    +0.004 S 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        0.496  -0.490  -0.958  0.00  0.00    +0.144 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.248  -0.177   0.330  0.00  0.00    +0.143 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.716   0.002   0.052  0.00  0.00    +0.309 C 
ATOM     12  O   LIG    1        3.258  -0.183  -1.028  0.00  0.00    -0.251 OA
BRANCH  11  14
ATOM     13  C   LIG    1        4.759   0.585   1.038  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        3.353   0.387   1.194  0.00  0.00    -0.468 OA
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 4