REMARK  Name = BDB009582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.224   2.501   0.358  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.347   1.490   0.602  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        2.520   1.863   0.638  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.988   0.130   0.666  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.298  -0.207   1.314  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -1.486   0.704   0.895  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -1.063   2.161   1.111  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.698  -1.684   1.352  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.986  -2.283   2.594  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.369  -3.625   2.677  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.476  -4.385   1.517  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.947  -6.036   1.616  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.202  -3.815   0.279  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.818  -2.473   0.199  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -2.118   0.511  -0.482  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.522   0.519  -0.585  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.150   0.365  -1.822  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.868   0.375  -1.915  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.397   0.207  -2.981  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.007   0.205  -2.900  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.375   0.358  -1.662  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.705   3.919   0.700  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -1.023   5.614   0.859  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -0.240   4.964   0.187  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -0.175   5.123  -1.147  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1       -0.831   5.826  -1.340  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1        2.112  -0.809   0.827  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.485  -1.343  -0.557  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1        3.316  -0.462  -1.534  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        4.585  -1.113  -0.956  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        3.704  -2.307  -0.543  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7