REMARK  Name = BDB009661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.055  -0.532  -0.026  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1       -0.379  -0.210   0.224  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -1.124   0.168  -1.081  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.266   0.962  -2.078  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.114   1.443  -1.584  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.930   1.773  -2.860  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.821   0.351  -0.780  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        3.053   0.393  -0.728  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.194  -1.305   0.933  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.378  -2.485   0.281  0.00  0.00    -0.257 NA
ATOM     11  C   LIG    1       -2.114  -3.438   0.906  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1       -2.679  -3.276   2.159  0.00  0.00    +0.059 A 
ATOM     13 CL   LIG    1       -3.596  -4.530   2.884  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -2.486  -2.068   2.816  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -1.735  -1.067   2.200  0.00  0.00    +0.026 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.471   0.841  -0.823  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.652   0.184  -1.210  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.899   0.762  -0.970  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -6.330  -0.066  -1.446  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.993   2.001  -0.345  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.831   2.664   0.046  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.579   2.088  -0.189  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.736  -1.516   0.868  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1        2.459  -3.048  -1.048  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        2.890  -2.317   0.218  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        2.117  -0.929   2.246  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        3.209   0.127   2.265  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        1.019   2.684  -0.670  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.241   3.577  -0.556  0.00  0.00    +0.306 C 
ATOM     30  O   LIG    1        2.151   4.798  -0.609  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        3.414   2.971  -0.305  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        3.443   1.985  -0.341  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8