REMARK  Name = BDB008486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.034  -3.570  -1.164  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        0.214  -2.417  -0.859  0.00  0.00    +0.339 C 
ATOM      3  C   LIG    1       -0.626  -1.264  -1.173  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        0.044  -0.199  -0.732  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        1.321  -0.591  -0.065  0.00  0.00    +0.245 C 
ATOM      6  O   LIG    1        1.339  -2.011  -0.216  0.00  0.00    -0.425 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.330   1.164  -0.842  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.897   2.000   0.163  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -1.118   3.247  -0.425  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -1.678   4.325   0.274  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -2.025   4.114   1.611  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -1.825   2.882   2.228  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -2.719   5.409   2.512  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -0.698   3.163  -1.734  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -0.744   3.922  -2.400  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -1.263   1.817   1.514  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.231   1.903  -2.001  0.00  0.00    +0.092 A 
ENDBRANCH   4   7
BRANCH   5  18
ATOM     18  O   LIG    1        1.245  -0.282   1.319  0.00  0.00    -0.351 OA
ATOM     19  H   LIG    1        2.095  -0.558   1.700  0.00  0.00    +0.214 HD
ENDBRANCH   5  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.922  -1.391  -1.887  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.077  -1.655  -0.948  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -3.405  -2.967  -0.576  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.453  -3.208   0.316  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.174  -2.139   0.843  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -6.463  -2.436   1.944  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -4.854  -0.830   0.489  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.808  -0.589  -0.403  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
BRANCH   5  28
ATOM     28  C   LIG    1        2.570   0.033  -0.734  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.887  -0.369  -0.098  0.00  0.00    -0.041 A 
ATOM     30  C   LIG    1        4.533   0.496   0.798  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.739   0.125   1.395  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.306  -1.113   1.101  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        7.791  -1.571   1.838  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        5.675  -1.983   0.215  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        4.469  -1.612  -0.384  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6