REMARK  Name = BDB009579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.294  -2.311  -0.342  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.026  -1.806  -0.912  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        0.749  -2.535  -1.588  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.307  -0.447  -0.671  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.822   0.405  -0.218  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -1.528  -0.195   1.048  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.488  -1.736   1.060  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.463   1.871   0.027  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.402   2.258   1.063  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.704   3.606   1.276  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.141   4.579   0.457  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.511   6.238   0.721  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.722   4.218  -0.575  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.022   2.870  -0.789  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -2.941   0.363   1.222  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -4.028  -0.086   0.456  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.296   0.473   0.631  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.615  -0.087  -0.323  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.504   1.483   1.566  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.435   1.940   2.333  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.165   1.385   2.162  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.340  -3.846  -0.331  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.775  -3.705  -0.308  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -2.749  -4.354  -0.207  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -2.793  -5.679   0.029  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -3.750  -5.889   0.070  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        1.388   0.123  -1.497  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.804  -0.371  -1.119  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        3.835   0.101  -2.152  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        5.224  -0.488  -1.889  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        5.452  -0.899  -0.434  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        4.736   0.033   0.532  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        3.224   0.092   0.287  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7