REMARK  Name = BDB047576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.463  -0.102  -0.813  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.604   0.873  -1.797  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.776   0.918  -2.850  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.615   1.824  -1.703  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.510   1.786  -0.631  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.413   0.782   0.346  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        2.373  -0.155   0.252  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.814  -2.314  -0.817  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.428  -1.148  -0.906  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -0.916  -0.798  -1.067  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1       -1.448   0.545  -0.806  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -2.669   0.587   0.134  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1       -3.956   0.427  -0.568  0.00  0.00    -0.298 NA
ATOM     14  C   LIG    1       -4.197  -0.951  -1.011  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -3.159  -1.499  -1.994  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -1.846  -1.890  -1.328  0.00  0.00    +0.109 C 
BRANCH  13  17
ATOM     17  C   LIG    1       -5.077   1.015   0.208  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1       -6.372   1.174  -0.629  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -7.489   0.235  -0.184  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -7.856   0.439   1.286  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -6.666   0.824   2.167  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.342   0.349   1.578  0.00  0.00    +0.019 C 
ENDBRANCH  13  17
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1        4.390   0.721   1.499  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.848   0.772   1.063  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        6.498  -0.434   0.487  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        7.831  -0.311   0.097  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        8.517  -1.399  -0.459  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.862  -2.618  -0.625  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.530  -2.748  -0.237  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.517   0.979   0.274  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1        9.688   1.133  -0.052  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        7.768   1.990   0.825  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1        8.227   2.886   0.957  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1        5.847  -1.661   0.320  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1        6.468   1.907   1.212  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4