REMARK  Name = BDB009666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.931   0.304   0.294  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.162  -0.584  -0.201  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.542   0.099  -0.414  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.356   1.525  -0.927  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.493   2.357   0.029  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        0.309   3.756  -0.598  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.877   1.691   0.171  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -1.880   2.396   0.277  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.352  -1.818   0.687  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.412  -3.097   0.108  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.601  -4.230   0.904  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.734  -4.093   2.283  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.967  -5.488   3.262  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.682  -2.834   2.874  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.495  -1.700   2.080  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.461  -0.685  -1.348  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.120  -0.948  -2.685  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.982  -1.680  -3.503  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.537  -1.999  -5.135  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.194  -2.156  -3.010  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.548  -1.895  -1.688  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.689  -1.165  -0.864  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.274  -0.332   0.491  0.00  0.00    +0.083 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -4.039  -0.849   2.267  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.933   0.099   1.819  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.171  -0.292  -0.760  0.00  0.00    +0.096 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.039   0.937  -0.945  0.00  0.00    +0.132 C 
ATOM     28  O   LIG    1       -5.042   1.123  -0.255  0.00  0.00    -0.298 OA
ATOM     29  C   LIG    1       -3.703   1.858  -2.090  0.00  0.00    +0.086 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1        1.044   2.504   1.463  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        2.448   3.044   1.522  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        3.442   2.351   1.363  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        2.516   4.372   1.745  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        1.654   4.816   1.858  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 9