REMARK  Name = BDB054811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.388  -0.664  -0.945  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.594  -1.872  -1.602  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.114  -2.192  -2.695  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.536  -2.776  -1.123  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.296  -2.456   0.005  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.128  -1.222   0.654  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.156  -0.330   0.176  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.079   1.366  -1.918  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.561   0.327  -1.469  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -1.924   0.079  -1.380  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -2.854   1.102  -1.863  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -4.166   1.121  -1.056  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1       -4.884  -0.157  -1.112  0.00  0.00    -0.296 NA
ATOM     14  C   LIG    1       -3.987  -1.328  -1.147  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1       -2.535  -1.067  -0.698  0.00  0.00    +0.123 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.051  -0.335  -0.241  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1       -7.124   0.754  -0.367  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -6.807   1.792   0.702  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -6.019   1.060   1.784  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -5.772  -0.355   1.268  0.00  0.00    +0.019 C 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1        2.966  -0.859   1.860  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.465  -0.972   1.610  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1        5.167   0.134   0.868  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1        4.473   1.224   0.352  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1        3.515   1.012   0.083  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1        5.129   2.130  -0.589  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1        6.563   2.382  -0.133  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1        7.324   1.063   0.052  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        6.498   0.013   0.742  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        7.195  -1.182   1.266  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1        8.408  -1.325   1.152  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        6.404  -2.124   1.871  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        6.867  -2.947   2.242  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        5.060  -2.035   2.067  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4