REMARK  Name = BDB001092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.640  -0.025   0.409  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.433  -0.185  -0.480  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.621  -0.790  -0.049  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.721  -1.278   1.252  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        2.829  -1.905   1.672  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.662  -1.129   2.142  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.513  -0.502   1.724  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.718  -0.957  -1.019  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.975  -0.441  -0.727  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        5.061  -0.675  -1.680  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        6.442  -0.552  -1.016  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        6.696   0.742  -0.354  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        7.293   0.578   0.456  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        5.453   1.407   0.068  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        4.282   0.459   0.391  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        2.454  -1.524  -2.078  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -1.930   0.618  -0.041  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.919  -0.412  -0.162  0.00  0.00    -0.487 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -5.141   0.282   0.480  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1       -4.137   0.122  -0.485  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1       -4.406   0.390  -1.832  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.664   0.859  -2.209  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1       -6.647   1.041  -1.241  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -7.853   1.493  -1.606  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -6.402   0.756   0.097  0.00  0.00    +0.055 A 
BRANCH  19  29
ATOM     26  N   LIG    1       -5.860  -0.725   2.557  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -6.570  -1.238   2.053  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.637  -1.034   3.495  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -4.888  -0.013   1.909  0.00  0.00    +0.245 C 
ATOM     30  O   LIG    1       -3.879   0.363   2.488  0.00  0.00    -0.270 OA
ENDBRANCH  19  29
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5