REMARK  Name = BDB001069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.480   1.066   0.552  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.388   2.135   1.435  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.541   3.087   1.274  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.239   2.207   2.533  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.197   1.210   2.738  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.321   0.137   1.838  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.440   0.064   0.747  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.275   1.878  -1.476  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.410   1.011  -0.617  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.313  -0.046  -0.710  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        2.233  -0.054  -1.846  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        3.585   0.575  -1.451  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1        4.188  -0.099  -0.271  0.00  0.00    -0.299 NA
ATOM     14  C   LIG    1        3.221  -0.108   0.854  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1        1.866  -0.735   0.460  0.00  0.00    +0.123 C 
BRANCH  13  16
ATOM     16  C   LIG    1        5.438   0.549   0.148  0.00  0.00    +0.088 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.532   0.299  -0.851  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1        7.102  -1.085  -1.038  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        7.934  -0.016  -0.387  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  20
ATOM     20  C   LIG    1       -3.351  -0.942   2.091  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.066  -1.427   0.837  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -5.121  -0.589   0.210  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.732  -1.092  -0.938  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -6.734  -0.363  -1.591  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -7.125   0.877  -1.091  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.518   1.387   0.056  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.312  -2.402  -1.460  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1       -5.828  -2.888  -2.461  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.318  -3.041  -0.761  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1       -4.015  -3.946  -1.109  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1       -5.518   0.658   0.708  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1       -3.702  -2.581   0.360  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5