REMARK  Name = BDB042728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.399  -2.733  -1.322  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -0.336  -1.387  -1.266  0.00  0.00    +0.081 C 
ATOM      3  C   LIG    1       -0.772  -1.024   0.168  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        0.396  -0.507   0.999  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1        1.531   0.104   0.292  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        2.566   0.638   1.053  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.496   0.521   2.516  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.386  -0.115   3.020  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        1.313  -0.197   4.030  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.388   0.966   3.229  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        3.638   1.275   0.430  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        3.640   1.373  -0.954  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        4.650   2.000  -1.569  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.606   0.833  -1.721  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        1.550   0.153  -1.107  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.341  -0.608   2.295  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        0.492  -0.336  -1.880  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        0.752  -0.538  -2.845  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.969  -0.079   0.174  0.00  0.00    -0.001 A 
ATOM     20  C   LIG    1       -3.262  -0.621   0.244  0.00  0.00    +0.130 A 
ATOM     21  F   LIG    1       -3.421  -1.951   0.298  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.396   0.183   0.240  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -4.241   1.557   0.155  0.00  0.00    +0.126 A 
ATOM     24  F   LIG    1       -5.324   2.345   0.147  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -2.977   2.131   0.068  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -1.842   1.316   0.073  0.00  0.00    +0.010 A 
ENDBRANCH   3  19
TORSDOF 1