REMARK  Name = BDB002866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.013  -1.392   0.794  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -1.301  -0.914   0.697  0.00  0.00    -0.288 N 
ATOM      3  O   LIG    1        0.279  -2.507   1.239  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      4  C   LIG    1        2.744  -0.827   2.297  0.00  0.00    +0.066 C 
ATOM      5  C   LIG    1        2.316  -0.325   0.965  0.00  0.00    +0.054 A 
ATOM      6  N   LIG    1        3.066   0.490   0.118  0.00  0.00    -0.236 N 
ATOM      7  N   LIG    1        2.304   0.924  -0.926  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        1.169   0.241  -0.834  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1        1.091  -0.527   0.337  0.00  0.00    +0.078 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.432   0.912   0.184  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        5.380   0.280   0.998  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        6.707   0.731   1.022  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        7.096   1.805   0.227  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        8.727   2.351   0.263  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        6.174   2.431  -0.604  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        4.849   1.982  -0.630  0.00  0.00    +0.029 A 
ENDBRANCH   6  10
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  C   LIG    1       -2.367  -1.877   0.988  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.981  -2.380  -0.289  0.00  0.00    +0.007 A 
ATOM     19  S   LIG    1       -2.117  -3.450  -1.315  0.00  0.00    -0.100 S 
ATOM     20  C   LIG    1       -3.410  -3.537  -2.428  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1       -4.487  -2.779  -2.029  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -4.243  -2.119  -0.790  0.00  0.00    +0.013 A 
ENDBRANCH  17  18
ENDBRANCH   2  17
BRANCH   2  23
ATOM     23  C   LIG    1       -1.610   0.505   0.905  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.788   1.025   0.117  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -3.896   1.575   0.778  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.979   2.076   0.053  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.965   2.037  -1.340  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.867   1.500  -2.008  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.783   1.000  -1.285  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6