REMARK  Name = BDB009687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.739   0.484  -0.181  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.332  -0.520   0.081  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.771   0.059   0.095  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.774   1.368   0.877  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -0.835   2.412   0.260  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -0.664   3.528   1.323  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.553   1.848  -0.047  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.457   2.661  -0.266  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.273  -1.711  -0.881  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.102  -3.012  -0.378  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.070  -4.111  -1.240  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.210  -3.920  -2.611  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.172  -5.274  -3.671  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.384  -2.640  -3.129  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.417  -1.540  -2.268  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.802  -0.912   0.665  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -2.764  -1.346   2.000  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -3.716  -2.249   2.477  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.647  -2.771   4.115  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.715  -2.734   1.639  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.764  -2.313   0.311  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.815  -1.409  -0.172  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.142  -0.039  -0.258  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.749   0.052  -1.684  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        3.530   1.306  -2.050  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        3.094   0.458   0.876  0.00  0.00    +0.135 C 
BRANCH  26  28
ATOM     27  C   LIG    1        3.413   0.724   3.392  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        2.507   0.217   2.277  0.00  0.00    +0.030 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  O   LIG    1        4.330  -0.262   0.776  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        5.008   0.257   1.243  0.00  0.00    +0.210 HD
ENDBRANCH  26  29
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1       -1.413   3.078  -1.013  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.071   2.428  -2.331  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -1.855   1.730  -2.958  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        0.177   2.684  -2.773  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        0.754   3.165  -2.138  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 10