REMARK  Name = BDB009923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.165   0.474   0.480  0.00  0.00    +0.092 C 
ATOM      2  N   LIG    1       -1.117   0.021  -0.484  0.00  0.00    -0.228 NA
ATOM      3  C   LIG    1       -1.514  -1.365  -0.744  0.00  0.00    +0.285 C 
ATOM      4  C   LIG    1       -0.468  -2.284  -1.387  0.00  0.00    +0.060 C 
ATOM      5  C   LIG    1        0.929  -2.118  -0.785  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        1.337  -0.647  -0.617  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1       -0.860  -3.779  -1.276  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -0.566  -1.849  -2.847  0.00  0.00    +0.135 C 
ATOM      9  C   LIG    1       -2.023  -1.513  -2.953  0.00  0.00    +0.311 C 
ATOM     10  O   LIG    1       -2.642  -1.385  -3.997  0.00  0.00    -0.251 OA
ATOM     11  O   LIG    1       -2.569  -1.375  -1.715  0.00  0.00    -0.417 OA
ATOM     12  O   LIG    1       -1.986  -1.889   0.489  0.00  0.00    -0.322 OA
ATOM     13  C   LIG    1        0.227   0.142   0.145  0.00  0.00    +0.101 C 
ATOM     14  C   LIG    1       -2.772  -0.824   1.050  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1       -2.686  -0.918   2.564  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1        2.710  -0.564   0.050  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.769   0.067  -0.624  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        5.026   0.172  -0.027  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        6.308   0.952  -0.868  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.250  -0.349   1.244  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.209  -0.978   1.925  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.948  -1.084   1.334  0.00  0.00    +0.004 A 
ENDBRANCH   6  16
BRANCH  13  23
ATOM     23  C   LIG    1        0.627   1.623   0.232  0.00  0.00    -0.029 A 
ATOM     24  C   LIG    1        1.091   2.157   1.446  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        1.475   3.497   1.532  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        1.397   4.314   0.407  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        1.869   5.965   0.516  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        0.939   3.804  -0.804  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.557   2.464  -0.892  0.00  0.00    +0.006 A 
ENDBRANCH  13  23
BRANCH   1  31
ATOM     30  C   LIG    1       -4.223   1.956   0.715  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -3.194   1.365  -0.240  0.00  0.00    +0.018 C 
ENDBRANCH   1  31
TORSDOF 3