REMARK  Name = BDB042696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.283   2.997  -1.395  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.789   1.933  -0.456  0.00  0.00    -0.042 A 
ATOM      3  C   LIG    1       -4.079   0.734  -0.221  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -4.612  -0.221   0.670  0.00  0.00    +0.082 A 
ATOM      5  C   LIG    1       -3.866  -1.481   0.914  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -2.675  -1.626   0.236  0.00  0.00    -0.326 N 
ATOM      7  H   LIG    1       -2.197  -2.503   0.407  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -2.140  -0.702  -0.627  0.00  0.00    +0.020 A 
ATOM      9  O   LIG    1       -4.259  -2.361   1.670  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -5.826   0.018   1.313  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1       -6.359  -0.868   2.166  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -6.525   1.197   1.083  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.794   0.443  -0.877  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -6.011   2.149   0.204  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -0.824  -1.051  -1.277  0.00  0.00    +0.062 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.340  -0.941  -0.291  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.666  -1.257  -0.956  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        2.773  -1.244  -0.132  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1        4.120  -1.379  -0.654  0.00  0.00    +0.079 C 
ATOM     20  C   LIG    1        4.597   0.024  -1.072  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.537   1.017   0.104  0.00  0.00    +0.118 C 
ATOM     22  C   LIG    1        3.260   0.858   0.951  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        4.884  -1.904   0.568  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        4.075  -1.404   1.782  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        2.902  -0.622   1.176  0.00  0.00    +0.079 C 
ATOM     26  O   LIG    1        1.749  -1.533  -2.152  0.00  0.00    -0.276 OA
BRANCH  21  27
ATOM     27  O   LIG    1        4.610   2.357  -0.372  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        5.386   2.425  -0.954  0.00  0.00    +0.210 HD
ENDBRANCH  21  27
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 4