REMARK  Name = BDB009585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.930   0.096   0.384  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.268   0.020  -0.495  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.589   0.607   0.081  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.585   0.560   1.608  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.373   1.341   2.097  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.921   0.680   1.646  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.918   0.748   2.365  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.008   0.661  -1.859  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.604   1.930  -1.960  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.835   2.509  -3.210  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.466   1.828  -4.367  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.747   2.544  -5.906  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.131   0.572  -4.287  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.360  -0.009  -3.038  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.828  -0.066  -0.502  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.168  -1.392  -0.188  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.298  -1.984  -0.754  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.695  -3.612  -0.360  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.103  -1.272  -1.638  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.775   0.043  -1.962  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.645   0.641  -1.399  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.117  -0.689  -0.063  0.00  0.00    +0.076 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.559  -0.543  -0.809  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        3.440   0.105  -0.003  0.00  0.00    +0.019 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.164  -2.104   0.557  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1        2.616  -2.211   2.004  0.00  0.00    +0.006 C 
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  27
ATOM     27  C   LIG    1       -0.390   1.568   3.616  0.00  0.00    +0.133 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.193   0.314   4.430  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1       -0.392  -0.836   4.080  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        0.192   0.589   5.692  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        0.311  -0.293   6.101  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8