REMARK  Name = BDB042498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.464  -1.915   1.210  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.499  -0.924  -0.271  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -5.577   0.083  -0.906  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -4.181   0.071  -0.690  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -3.375   1.045  -1.319  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -1.908   1.032  -1.090  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -1.435   0.028  -0.278  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -0.430   0.038  -0.097  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.204  -0.912   0.359  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -1.145   1.859  -1.576  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -3.953   2.008  -2.144  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -3.217   2.947  -2.756  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -5.326   2.021  -2.357  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.533  -0.929   0.176  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -6.134   1.066  -1.744  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.993  -1.395   2.579  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.180  -0.090   2.571  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.905  -0.062   1.578  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.453   1.301   1.443  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        2.433   1.370   0.259  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        3.433   0.237   0.277  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.209  -0.841   1.051  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        1.987  -1.003   1.913  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.633   0.350  -0.577  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        4.533   0.843  -1.888  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.668   0.964  -2.695  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        6.909   0.599  -2.191  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        7.997   0.716  -2.963  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.038   0.115  -0.896  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        5.903  -0.007  -0.090  0.00  0.00    +0.011 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5