REMARK  Name = BDB009644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.346   2.862   0.539  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        0.006   2.249  -0.829  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.261   1.384  -0.658  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        2.372   1.837  -0.938  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        1.105   0.121  -0.084  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1       -0.239  -0.410   0.241  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -1.324   0.002  -0.798  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -1.139   1.404  -1.404  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.268  -1.941   0.378  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.198  -2.775  -0.655  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.149  -4.164  -0.524  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.371  -4.731   0.637  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.432  -6.443   0.798  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.842  -3.922   1.668  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.791  -2.532   1.540  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -2.743  -0.203  -0.268  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.552  -1.210  -0.823  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.842  -1.430  -0.339  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.812  -2.673  -1.029  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.349  -0.655   0.699  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.558   0.347   1.259  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.265   0.570   0.781  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        2.295  -0.494   0.543  0.00  0.00    +0.079 C 
ATOM     24  C   LIG    1        3.433  -0.839  -0.438  0.00  0.00    +0.053 C 
ATOM     25  C   LIG    1        4.679  -0.166   0.134  0.00  0.00    +0.116 C 
ATOM     26  C   LIG    1        4.397  -0.040   1.624  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        2.929   0.350   1.664  0.00  0.00    +0.025 C 
BRANCH  25  28
ATOM     28  O   LIG    1        5.851  -0.926  -0.111  0.00  0.00    -0.392 OA
ATOM     29  H   LIG    1        5.738  -1.804   0.291  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH   5  23
BRANCH   2  30
ATOM     30  C   LIG    1        0.361   3.398  -1.812  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.791   4.303  -2.145  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -1.640   4.105  -2.998  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.841   5.401  -1.369  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -1.616   5.899  -1.704  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 7