REMARK  Name = BDB008487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.149  -3.316  -0.787  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        0.323  -2.127  -0.986  0.00  0.00    +0.343 C 
ATOM      3  C   LIG    1       -0.721  -1.099  -1.152  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1       -0.079   0.072  -1.254  0.00  0.00    +0.020 C 
ATOM      5  C   LIG    1        1.396  -0.133  -1.180  0.00  0.00    +0.242 C 
ATOM      6  O   LIG    1        1.544  -1.544  -1.085  0.00  0.00    -0.425 OA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.110  -1.385  -1.176  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -2.875  -2.067  -0.181  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.198  -2.094  -0.632  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -5.238  -2.677   0.104  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.913  -3.248   1.337  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -3.608  -3.242   1.818  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -6.159  -3.976   2.279  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -4.223  -1.476  -1.861  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -5.052  -1.366  -2.431  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -2.580  -2.654   1.069  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.969  -1.040  -2.198  0.00  0.00    +0.092 A 
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  O   LIG    1        1.951   0.317  -2.405  0.00  0.00    -0.352 OA
ATOM     19  H   LIG    1        2.896   0.090  -2.356  0.00  0.00    +0.214 HD
ENDBRANCH   5  18
BRANCH   4  20
ATOM     20  C   LIG    1       -0.679   1.429  -1.477  0.00  0.00    +0.073 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.788   2.277  -0.228  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -1.566   1.857   0.862  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.667   2.648   2.010  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.998   3.868   2.071  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -1.121   4.841   3.484  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.236   4.308   0.992  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.135   3.518  -0.156  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
BRANCH   5  28
ATOM     28  C   LIG    1        2.071   0.545   0.037  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.561   0.277   0.150  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1        4.031  -0.921   0.706  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.402  -1.170   0.797  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.311  -0.221   0.334  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        8.000  -0.527   0.446  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        5.859   0.975  -0.220  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        4.488   1.224  -0.312  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6