REMARK  Name = BDB001089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.463   1.261   0.075  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1        1.302   0.874  -0.610  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        0.321   1.822  -0.931  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.519   3.161  -0.602  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1       -0.385   4.095  -0.930  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.668   3.557   0.077  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.637   2.611   0.417  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.867   1.383  -1.689  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.138   1.768  -1.266  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1       -3.280   1.307  -2.053  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -3.837  -0.005  -1.482  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -4.106   0.086  -0.033  0.00  0.00    -0.298 N 
ATOM     13  C   LIG    1       -4.962  -0.789   0.640  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -4.898  -0.931   1.862  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -3.036   0.702   0.770  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -2.479   1.992   0.144  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -0.677   0.669  -2.672  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     18  C   LIG    1       -6.012  -1.534  -0.192  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -6.782  -2.578   0.631  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.039  -1.854   1.083  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -8.419  -1.045  -0.143  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -7.088  -0.566  -0.716  0.00  0.00    +0.013 C 
ENDBRANCH  13  18
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1        3.527   0.245   0.404  0.00  0.00    +0.076 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.483   0.012  -0.768  0.00  0.00    +0.233 C 
BRANCH  24  25
ATOM     25  O   LIG    1        5.471  -0.965  -0.431  0.00  0.00    -0.491 OA
BRANCH  25  27
ATOM     26  C   LIG    1        7.591  -1.582   0.468  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        6.631  -0.582   0.195  0.00  0.00    +0.133 A 
ATOM     28  C   LIG    1        6.904   0.739   0.583  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        8.100   1.069   1.226  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        9.043   0.087   1.495  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.789  -1.230   1.119  0.00  0.00    +0.017 A 
BRANCH  26  35
ATOM     32  N   LIG    1        6.342  -3.427  -0.580  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1        6.243  -4.404  -0.814  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1        5.624  -2.768  -0.851  0.00  0.00    +0.145 HD
ATOM     35  C   LIG    1        7.445  -3.032   0.118  0.00  0.00    +0.245 C 
ATOM     36  O   LIG    1        8.290  -3.861   0.439  0.00  0.00    -0.270 OA
ENDBRANCH  26  35
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7