REMARK  Name = BDB009573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.298  -0.527  -1.242  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.606   0.270  -0.372  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.502  -0.675   0.495  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.989  -1.899  -0.325  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -1.771  -1.727  -1.837  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.290  -1.467  -2.098  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        0.324  -2.034  -2.999  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.038   1.489   0.352  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.058   2.742  -0.290  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.410   3.894   0.349  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.892   3.814   1.651  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        1.477   5.226   2.438  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.895   2.595   2.319  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.424   1.446   1.676  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.693   0.036   1.135  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.661   0.705   0.369  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.733   1.348   0.990  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.904   2.167   0.030  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.864   1.331   2.375  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.916   0.663   3.147  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.840   0.018   2.532  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.776  -0.597  -1.113  0.00  0.00    +0.162 C 
BRANCH  22  25
ATOM     23  N   LIG    1        3.459   0.186   0.567  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        3.889   0.713  -0.180  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        2.343  -0.585   0.329  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        1.825  -1.266   1.218  0.00  0.00    -0.274 OA
BRANCH  23  28
ATOM     27  C   LIG    1        5.095  -0.908   2.031  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        4.102   0.228   1.864  0.00  0.00    +0.101 C 
ENDBRANCH  23  28
ENDBRANCH  22  25
BRANCH  22  29
ATOM     29  C   LIG    1        2.541   0.153  -2.223  0.00  0.00    +0.028 C 
ATOM     30  C   LIG    1        2.333   1.653  -2.285  0.00  0.00    +0.006 C 
ENDBRANCH  22  29
ENDBRANCH   1  22
BRANCH   5  31
ATOM     31  C   LIG    1       -2.301  -2.909  -2.661  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.551  -4.205  -2.477  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1       -0.914  -4.565  -1.503  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.706  -5.029  -3.533  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -1.158  -5.808  -3.301  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9