REMARK  Name = BDB049703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.944   0.579   0.110  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        2.699  -0.231   0.166  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        1.376   0.453   0.078  0.00  0.00    +0.267 A 
ATOM      4  O   LIG    1        1.329   1.671  -0.038  0.00  0.00    -0.266 OA
ATOM      5  N   LIG    1        0.330  -0.474   0.148  0.00  0.00    -0.245 N 
ATOM      6  S   LIG    1        0.905  -2.084   0.311  0.00  0.00    +0.009 S 
ATOM      7  C   LIG    1        2.538  -1.550   0.288  0.00  0.00    +0.103 A 
ATOM      8 CL   LIG    1        3.814  -2.682   0.418  0.00  0.00    -0.074 Cl
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -1.070  -0.172   0.095  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -2.046  -1.185   0.175  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.416  -0.896   0.124  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.847   0.418  -0.009  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.908   1.438  -0.089  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.538   1.145  -0.038  0.00  0.00    +0.027 A 
ENDBRANCH   5   9
TORSDOF 1