REMARK  Name = BDB042638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.528  -1.258  -1.242  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.405  -1.888  -0.386  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        1.651  -1.555   1.012  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1        2.604  -0.322   1.082  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1        3.864  -0.556   0.313  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1        3.690  -1.267  -0.990  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1        2.367  -2.817   1.514  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1        3.057  -3.393   0.263  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        2.667  -2.432  -0.868  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1        0.683  -1.279  -2.462  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.831   0.457   0.395  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        5.183   1.012   1.641  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        6.154   2.013   1.760  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        6.804   2.470   0.626  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1        7.735   3.426   0.734  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        6.505   1.939  -0.617  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        5.533   0.936  -0.727  0.00  0.00    +0.026 A 
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  C   LIG    1       -0.651  -0.563  -0.588  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.624  -0.006  -1.628  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -6.789  -1.127  -0.969  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.479   0.199  -0.325  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.181   0.761  -0.341  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -4.961   2.008   0.279  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -3.600   2.597   0.258  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -2.625   1.861  -0.380  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -1.712   2.300  -0.400  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -2.822   0.641  -0.979  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -3.322   3.674   0.771  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.012   2.679   0.902  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -5.836   3.864   1.502  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.288   2.128   0.919  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -4.043   0.085  -0.985  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.521   0.896   0.310  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4