REMARK  Name = BDB046643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.951  -3.978  -1.299  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.486  -2.871  -1.050  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.765  -2.610   0.204  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.263  -1.333   0.431  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.516  -1.038   1.573  0.00  0.00    +0.037 A 
ATOM      6  N   LIG    1       -1.035   0.248   1.847  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -0.215   0.229   2.451  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.859   1.154   0.699  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -2.046   1.118  -0.298  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -1.365  -2.046   2.535  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -1.879  -3.330   2.323  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.523  -0.301  -0.579  0.00  0.00    +0.081 A 
ATOM     13  N   LIG    1       -3.143  -0.542  -1.699  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -2.573  -3.618   1.150  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.591  -1.811  -1.920  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1       -4.097  -1.968  -2.786  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -3.229   2.004   0.106  0.00  0.00    -0.036 A 
ATOM     18  C   LIG    1       -3.788   1.970   1.395  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -4.876   2.784   1.720  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -5.417   3.626   0.758  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -6.460   4.405   1.072  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.893   3.669  -0.527  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.805   2.858  -0.854  0.00  0.00    +0.007 A 
ENDBRANCH   9  17
BRANCH   8  24
ATOM     24  C   LIG    1        0.534   0.938   0.106  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        0.788   0.091  -0.982  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.089  -0.086  -1.463  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.173   0.570  -0.867  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        2.929   1.412   0.222  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        1.629   1.590   0.704  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        4.578   0.382  -1.404  0.00  0.00    +0.119 C 
BRANCH  30  31
ATOM     31  N   LIG    1        4.999  -1.029  -1.387  0.00  0.00    -0.298 NA
ATOM     32  C   LIG    1        6.392  -1.161  -1.870  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1        6.889  -1.132  -0.418  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1        5.436  -1.446  -0.034  0.00  0.00    +0.086 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   8  24
TORSDOF 4