REMARK  Name = BDB009309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   1.431   2.445  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.087   0.965   3.593  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.372   1.260   3.843  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.605   0.172   4.503  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.944  -0.151   4.265  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.605   0.334   3.124  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.895   1.137   2.216  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        3.563   0.674  -0.810  0.00  0.00    -0.297 NA
ATOM      9  C   LIG    1        3.450   2.065  -0.318  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.001   2.557  -0.154  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        1.256   1.716   0.786  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.173   2.263   1.464  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.246   3.402   1.270  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        1.659   0.304   0.838  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        2.396  -0.145  -0.439  0.00  0.00    +0.103 C 
BRANCH   8  16
ATOM     16  C   LIG    1        4.855   0.089  -0.415  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.213  -1.268  -1.063  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  O   LIG    1        5.033  -1.324  -2.480  0.00  0.00    -0.379 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.765  -0.769  -4.680  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1        5.917  -0.472  -3.200  0.00  0.00    +0.156 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -4.051  -0.029   2.866  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.188  -1.103   1.792  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -4.457  -0.696   0.366  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -4.689   0.628   0.001  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -5.090   1.215   0.728  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -5.166   0.961  -1.339  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -4.468   0.070  -2.362  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -4.649  -1.414  -2.011  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -4.447  -1.685  -0.544  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.248  -3.091  -0.124  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -4.247  -4.012  -0.935  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -4.090  -3.301   1.222  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.932  -4.260   1.526  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -4.025  -2.337   2.180  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 7