REMARK  Name = BDB061898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.539   0.467  -1.980  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.756   0.826  -0.872  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.402   0.457  -0.790  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.155  -0.279  -1.835  0.00  0.00    +0.134 A 
ATOM      5  F   LIG    1        1.428  -0.696  -1.801  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.607  -0.633  -2.946  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -1.949  -0.260  -3.022  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.354   0.858   0.432  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1       -0.291   1.193   1.427  0.00  0.00    -0.292 OA
BRANCH   8  10
ATOM     10  C   LIG    1        1.877   0.840   0.444  0.00  0.00    +0.071 C 
ATOM     11  C   LIG    1        2.365  -0.468   1.053  0.00  0.00    +0.034 C 
ATOM     12  C   LIG    1        3.892  -0.515   1.057  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1        4.455  -0.741  -0.351  0.00  0.00    +0.028 C 
ATOM     14  N   LIG    1        4.494   0.682   1.671  0.00  0.00    -0.296 N 
ATOM     15  C   LIG    1        3.912   1.942   1.522  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1        4.523   2.999   1.681  0.00  0.00    -0.276 OA
ATOM     17  C   LIG    1        2.415   1.989   1.284  0.00  0.00    +0.107 C 
BRANCH  14  18
ATOM     18  C   LIG    1        5.903   0.513   2.158  0.00  0.00    +0.076 C 
ATOM     19  C   LIG    1        6.319   1.291   3.428  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        7.702   1.482   2.768  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        7.016   1.271   1.400  0.00  0.00    +0.022 C 
ENDBRANCH  14  18
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -3.998   0.850  -2.047  0.00  0.00    +0.088 C 
BRANCH  22  27
ATOM     23  C   LIG    1       -7.707  -0.344  -0.576  0.00  0.00    +0.018 C 
ATOM     24  C   LIG    1       -6.681  -1.477  -0.623  0.00  0.00    +0.082 C 
ATOM     25  C   LIG    1       -5.244  -0.948  -0.612  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.244  -2.060  -0.284  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1       -4.930  -0.346  -1.973  0.00  0.00    +0.045 C 
ATOM     28  N   LIG    1       -5.402  -0.835  -3.083  0.00  0.00    -0.189 NA
ATOM     29  N   LIG    1       -6.271  -1.880  -2.999  0.00  0.00    -0.207 N 
ATOM     30  H   LIG    1       -6.499  -2.356  -3.867  0.00  0.00    +0.177 HD
ATOM     31  C   LIG    1       -6.915  -2.309  -1.864  0.00  0.00    +0.236 C 
ATOM     32  O   LIG    1       -7.681  -3.269  -1.880  0.00  0.00    -0.274 OA
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5