REMARK  Name = BDB042758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.533  -5.379  -0.704  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.238  -4.218  -0.445  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.236  -3.144  -0.520  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.837  -1.843  -0.229  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.728  -0.772  -0.338  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -2.351   0.539  -0.021  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -2.938   1.231  -0.484  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.913   0.823  -0.164  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1       -0.066  -0.194   0.653  0.00  0.00    +0.068 C 
ATOM     10  C   LIG    1       -4.061  -1.054  -0.652  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.459  -2.362  -0.929  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.736  -2.604  -1.250  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.448  -1.615   0.204  0.00  0.00    +0.076 A 
ATOM     14  N   LIG    1        0.421  -2.580   0.269  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.556  -3.414  -0.879  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        0.030  -3.836  -0.080  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        0.731  -4.567  -0.004  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  18
ATOM     18  C   LIG    1       -0.704   2.274   0.218  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1       -0.863   2.740   1.529  0.00  0.00    +0.134 A 
ATOM     20  F   LIG    1       -1.210   1.895   2.509  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -0.667   4.078   1.857  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1       -0.307   4.972   0.860  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1       -0.117   6.261   1.168  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -0.144   4.552  -0.451  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1       -0.345   3.210  -0.759  0.00  0.00    +0.134 A 
ATOM     26  F   LIG    1       -0.189   2.819  -2.032  0.00  0.00    -0.205 F 
ENDBRANCH   8  18
BRANCH   9  27
ATOM     27  C   LIG    1        1.458   0.125   0.577  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1        2.071  -0.041  -0.831  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        3.545  -0.454  -0.789  0.00  0.00    +0.081 C 
ATOM     30  N   LIG    1        4.248   0.265   0.267  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1        5.249   0.080   0.212  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        3.760  -0.096   1.602  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1        2.309  -0.598   1.633  0.00  0.00    +0.019 C 
ENDBRANCH   9  27
TORSDOF 2