REMARK  Name = BDB009911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.602  -0.016   0.328  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.282  -0.468  -0.256  0.00  0.00    +0.067 C 
ATOM      3  C   LIG    1       -0.496  -0.691  -1.773  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1        0.795   0.656   0.028  0.00  0.00    +0.048 C 
ATOM      5  C   LIG    1        0.375   2.037  -0.495  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -1.133   2.293  -0.474  0.00  0.00    +0.086 C 
ATOM      7  C   LIG    1       -1.945   1.336   0.391  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -2.926   1.741   1.013  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.211  -1.761   0.469  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        0.305  -1.784   1.878  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.762  -2.913   2.563  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        1.139  -4.045   1.851  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        1.704  -5.436   2.688  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        1.061  -4.054   0.463  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.601  -2.923  -0.222  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   4  16
ATOM     16  C   LIG    1        2.240   0.329  -0.364  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.153  -0.058   0.634  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.472  -0.381   0.310  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        5.562  -0.862   1.552  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.911  -0.316  -1.008  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.024   0.075  -2.008  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.701   0.395  -1.688  0.00  0.00    +0.004 A 
ENDBRANCH   4  16
BRANCH   1  24
ATOM     23  C   LIG    1       -3.158  -1.011   2.054  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -2.668  -1.020   0.603  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -3.852  -0.881  -0.363  0.00  0.00    +0.028 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  C   LIG    1       -1.452   3.759  -0.128  0.00  0.00    +0.133 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.022   4.705  -1.214  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -0.654   4.418  -2.340  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -1.092   5.991  -0.822  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -0.811   6.504  -1.608  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   6  26
TORSDOF 6