REMARK  Name = BDB049714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.107  -1.206  -1.584  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.270   0.048  -1.313  0.00  0.00    +0.002 C 
BRANCH   2   3
ATOM      3  C   LIG    1       -1.030  -0.241  -0.560  0.00  0.00    +0.011 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.862   1.029  -0.381  0.00  0.00    +0.120 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -3.147   0.758   0.365  0.00  0.00    +0.307 C 
ATOM      6  O   LIG    1       -3.522  -0.337   0.760  0.00  0.00    -0.251 OA
BRANCH   5   8
ATOM      7  C   LIG    1       -5.069   1.782   1.225  0.00  0.00    +0.280 C 
ATOM      8  O   LIG    1       -3.831   1.927   0.528  0.00  0.00    -0.468 OA
ENDBRANCH   5   8
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1        1.641  -1.919  -0.338  0.00  0.00    +0.133 C 
BRANCH   9  10
ATOM     10  N   LIG    1        2.570  -1.113   0.428  0.00  0.00    -0.278 N 
ATOM     11  C   LIG    1        3.876  -0.874   0.049  0.00  0.00    +0.259 A 
ATOM     12  O   LIG    1        4.440  -1.262  -0.963  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.558  -0.047   1.064  0.00  0.00    +0.099 A 
ATOM     14  C   LIG    1        3.734   0.230   2.075  0.00  0.00    +0.100 A 
ATOM     15 CL   LIG    1        4.189   1.168   3.428  0.00  0.00    -0.074 Cl
ATOM     16  S   LIG    1        2.147  -0.429   1.926  0.00  0.00    +0.004 S 
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 7