REMARK  Name = BDB054798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.067   0.886   0.388  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1       -2.504   1.334   1.643  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1       -3.686   0.936   2.138  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -1.693   2.125   2.453  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.413   2.474   2.027  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.070   2.023   0.791  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -0.773   1.247  -0.025  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -4.754   1.495  -0.233  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -4.263   0.410  -0.553  0.00  0.00    +0.229 C 
ATOM     10  N   LIG    1       -2.909   0.069  -0.441  0.00  0.00    -0.191 N 
ATOM     11  C   LIG    1       -2.336  -0.990  -1.149  0.00  0.00    +0.313 C 
ATOM     12  O   LIG    1       -1.187  -1.410  -1.019  0.00  0.00    -0.252 OA
ATOM     13  N   LIG    1       -3.150  -1.639  -2.038  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -2.681  -2.336  -2.606  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1       -4.450  -1.154  -2.399  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -5.143  -0.648  -1.165  0.00  0.00    +0.115 C 
ENDBRANCH   1  10
BRANCH   6  17
ATOM     17  C   LIG    1        1.462   2.428   0.350  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.159   1.438  -0.576  0.00  0.00    +0.087 A 
ATOM     19  C   LIG    1        2.665   0.139  -0.007  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1        2.472  -0.198   1.330  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1        1.629   0.211   1.730  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        2.680  -1.578   1.763  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        3.940  -2.130   1.102  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1        3.866  -1.998  -0.425  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        3.304  -0.674  -0.863  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        3.454  -0.296  -2.285  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1        4.027  -1.024  -3.091  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        2.912   0.908  -2.650  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        3.008   1.184  -3.621  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        2.277   1.784  -1.824  0.00  0.00    -0.174 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3