REMARK  Name = BDB056833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.630  -0.614  -0.120  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        2.714  -1.486   0.480  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        1.346  -1.187   0.487  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.883  -0.017  -0.116  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.798   0.845  -0.728  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        3.166   0.552  -0.736  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        5.983   0.026  -0.259  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1        6.950  -0.231  -0.108  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1        5.739   0.997  -0.126  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1        5.072  -0.981  -0.098  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1        5.440  -2.133   0.093  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   4  12
ATOM     12  O   LIG    1       -0.418   0.395  -0.184  0.00  0.00    -0.487 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -1.403  -0.451   0.416  0.00  0.00    +0.267 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.780   0.136   0.230  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -3.786  -0.172   1.150  0.00  0.00    +0.130 A 
ATOM     16  F   LIG    1       -3.509  -0.959   2.201  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -5.082   0.315   1.003  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -5.396   1.119  -0.090  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -4.413   1.424  -1.030  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.114   0.931  -0.876  0.00  0.00    +0.010 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 4