REMARK  Name = BDB009564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.151   0.307   0.320  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -1.070   0.914  -0.666  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -2.490   0.287  -0.727  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -2.980  -0.085   0.677  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -1.987  -0.995   1.392  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.578  -0.409   1.429  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        0.177  -0.669   2.367  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -1.170   2.434  -0.497  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.399   3.040   0.749  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.498   4.429   0.862  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.375   5.228  -0.271  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.497   6.938  -0.131  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.154   4.649  -1.517  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.054   3.260  -1.630  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.646  -0.885  -1.698  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.883  -1.066  -2.344  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.078  -2.127  -3.230  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.600  -2.321  -4.009  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.051  -3.029  -3.486  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.822  -2.870  -2.848  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.623  -1.808  -1.961  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.301   0.643   0.184  0.00  0.00    +0.090 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.726   2.654   0.861  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        1.802   1.541   1.337  0.00  0.00    +0.020 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1        2.142  -0.659  -0.017  0.00  0.00    +0.106 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.497  -0.410  -0.556  0.00  0.00    -0.301 NA
ATOM     27  C   LIG    1        4.523  -0.471   0.503  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        4.902  -1.939   0.662  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1        4.395  -2.620  -0.600  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        3.918  -1.479  -1.481  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  31
ATOM     31  C   LIG    1       -2.474  -1.290   2.819  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.850  -2.547   3.369  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1       -1.450  -3.509   2.736  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.831  -2.555   4.716  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -1.386  -3.399   4.939  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9