REMARK  Name = BDB042611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.361  -0.563  -1.480  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.759  -1.666   1.316  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -6.761  -0.209   0.934  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -5.716   0.376   0.183  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -5.783   1.747  -0.142  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -4.687   2.358  -0.933  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -3.655   1.520  -1.297  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.932   1.961  -1.854  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.572   0.187  -0.981  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -4.668   3.538  -1.260  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -6.868   2.516   0.275  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -6.961   3.821  -0.016  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -7.896   1.943   1.014  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -4.551  -0.399  -0.276  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -7.844   0.589   1.341  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -1.103  -0.198  -0.690  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.109  -0.975  -1.175  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        1.328  -0.682  -0.569  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1        2.470  -1.536  -0.905  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        3.818  -0.821  -0.753  0.00  0.00    +0.126 C 
ATOM     21  N   LIG    1        3.938  -0.113   0.524  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1        5.169   0.176   1.130  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        5.232   0.990   2.059  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        2.799   0.743   0.863  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        1.450   0.030   0.710  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1        0.012  -1.811  -2.074  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     27  C   LIG    1        6.422  -0.574   0.602  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1        7.785  -0.275   1.297  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        8.448  -0.421  -0.084  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1        7.090  -0.039  -0.697  0.00  0.00    +0.013 C 
ENDBRANCH  22  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4