REMARK  Name = BDB040753
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.762   1.086   0.696  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.708   0.289   1.268  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.281   1.209   0.524  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.923   1.545  -0.376  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.892   0.103   0.493  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -5.061  -0.453   1.464  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -5.567  -1.308   2.363  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.704  -0.136   1.536  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -3.129   0.754   0.622  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -3.959   1.329  -0.346  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.314   1.002  -0.404  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -6.073   1.581  -1.347  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1      -11.213   0.056  -1.058  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1      -10.066   0.016  -0.622  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -9.056  -0.579  -1.335  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.318  -0.971  -2.229  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.763  -0.819  -0.934  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -7.022  -1.512  -1.629  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.359  -0.259   0.429  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -8.239   0.938   0.808  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -9.704   0.538   0.746  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        1.403   0.541  -0.157  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        1.600   0.677  -1.139  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.292  -0.261   0.496  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.249  -0.539   1.684  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.225  -0.699  -0.384  0.00  0.00    -0.447 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.233  -1.567   0.181  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        5.331  -0.902   1.043  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.273  -0.900  -0.197  0.00  0.00    -0.023 C 
ATOM     30  C   LIG    1        7.693  -1.381   0.149  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1        8.670  -0.981  -0.949  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        8.771   0.543  -1.070  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        7.474   1.261  -0.683  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        6.253   0.411  -1.011  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        5.345  -1.999  -0.800  0.00  0.00    +0.051 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 5