REMARK  Name = BDB042701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.586  -0.221   2.956  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -4.854   0.677  -1.146  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -4.295  -0.718  -1.252  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -3.395  -1.243  -0.298  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -2.904  -2.555  -0.460  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -1.956  -3.102   0.542  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -1.613  -2.264   1.582  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -0.974  -2.669   2.255  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.078  -0.982   1.748  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -1.482  -4.229   0.477  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -3.306  -3.326  -1.549  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -2.858  -4.576  -1.732  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.193  -2.812  -2.487  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.945  -0.463   0.865  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -4.685  -1.516  -2.342  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.154   0.288   2.787  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.059   1.461   1.827  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        1.205   1.731   1.379  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1        2.511   1.374   1.911  0.00  0.00    +0.131 C 
ATOM     20  C   LIG    1        3.098   2.355   0.872  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1        1.679   2.939   0.723  0.00  0.00    +0.131 C 
ATOM     22  O   LIG    1       -1.028   2.138   1.494  0.00  0.00    -0.276 OA
BRANCH  20  23
ATOM     23  N   LIG    1        3.629   1.701  -0.352  0.00  0.00    -0.309 N 
ATOM     24  H   LIG    1        3.053   1.631  -1.180  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.828   1.026  -0.339  0.00  0.00    +0.216 C 
ATOM     26  O   LIG    1        5.548   0.958   0.649  0.00  0.00    -0.276 OA
BRANCH  25  27
ATOM     27  C   LIG    1        5.234   0.340  -1.596  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1        4.851   0.840  -2.969  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        4.243  -0.428  -2.441  0.00  0.00    +0.013 C 
ENDBRANCH  25  27
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5