REMARK  Name = BDB042672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.779   1.620  -1.532  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.269   0.528  -1.274  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.916   0.414  -0.552  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.468   1.626   0.053  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.997   1.630   0.011  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.567   0.315   0.477  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -2.806  -0.796   0.465  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.382  -0.856  -0.001  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.975   0.284   0.923  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.346  -0.395   2.097  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -6.676  -0.409   2.524  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -7.641   0.258   1.781  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -8.916   0.244   2.189  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.301   0.941   0.621  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.970   0.956   0.195  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.906  -0.768  -1.760  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.228  -0.551  -2.505  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.393  -0.268  -1.586  0.00  0.00    +0.022 A 
ATOM     19  N   LIG    1        3.429   0.968  -0.977  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.667   1.630  -1.151  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.418   1.401  -0.119  0.00  0.00    +0.258 A 
ATOM     22  O   LIG    1        4.399   2.506   0.410  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.516   0.448   0.140  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.483  -0.797  -0.477  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1        6.440  -1.741  -0.298  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        7.463  -1.415   0.525  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        7.576  -0.196   1.181  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.580   0.756   0.984  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        4.382  -1.149  -1.368  0.00  0.00    +0.049 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4