REMARK  Name = BDB042481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.727  -1.013   0.062  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -5.859  -1.604   1.370  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -5.631  -0.208   0.854  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -4.360   0.242   0.428  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -4.218   1.564  -0.043  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -2.882   2.034  -0.487  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -1.855   1.120  -0.405  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -0.951   1.468  -0.705  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -1.980  -0.172   0.043  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -2.673   3.166  -0.908  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.319   2.416  -0.090  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -5.218   3.676  -0.534  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -6.570   1.975   0.327  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.171  -0.626   0.460  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -6.726   0.672   0.797  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.296  -1.425  -1.351  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.933  -2.344  -1.351  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.105  -1.743  -0.713  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1        2.651  -0.588  -1.442  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1        4.105  -0.466  -0.947  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1        4.373  -1.781  -0.201  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        3.221  -2.685  -0.607  0.00  0.00    +0.085 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.380   0.754  -0.089  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        3.569   1.071   1.015  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.840   2.196   1.796  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.924   3.003   1.480  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        5.187   4.081   2.231  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        5.744   2.708   0.398  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        5.474   1.584  -0.385  0.00  0.00    +0.007 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5