REMARK  Name = BDB040870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.968   0.322  -1.884  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        6.572   0.735  -0.471  0.00  0.00    +0.156 C 
ATOM      3  N   LIG    1        5.260   1.423  -0.507  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1        4.032   0.573  -0.498  0.00  0.00    +0.134 C 
ATOM      5  C   LIG    1        3.204   1.238   0.587  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1        3.804   2.518   0.840  0.00  0.00    +0.142 C 
ATOM      7  F   LIG    1        3.318   3.420   1.703  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        2.268   0.588   1.287  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1        2.068  -0.841   1.056  0.00  0.00    -0.000 C 
ATOM     10  C   LIG    1        3.016  -1.554   0.409  0.00  0.00    +0.127 C 
ATOM     11  F   LIG    1        2.843  -2.889   0.261  0.00  0.00    -0.208 F 
ATOM     12  C   LIG    1        4.245  -0.929  -0.218  0.00  0.00    +0.157 C 
ATOM     13  N   LIG    1        5.399  -1.190   0.625  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        5.467  -2.052   1.152  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1        5.001   2.567   0.248  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1        6.576  -0.501   0.465  0.00  0.00    +0.234 C 
ATOM     17  O   LIG    1        7.598  -0.910   1.014  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        0.841  -1.477   1.670  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.415  -0.934   1.140  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -1.571  -1.359   1.937  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1       -2.907  -0.733   1.445  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -2.920  -0.287   0.031  0.00  0.00    -0.290 NA
ATOM     23  C   LIG    1       -2.106  -1.228  -0.757  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -0.627  -1.283  -0.279  0.00  0.00    +0.100 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.299  -0.099  -0.502  0.00  0.00    +0.129 C 
ATOM     26  C   LIG    1       -5.309   0.616   0.493  0.00  0.00    +0.258 C 
ATOM     27  F   LIG    1       -5.677  -0.274   1.463  0.00  0.00    -0.226 F 
ATOM     28  N   LIG    1       -6.546   1.150  -0.101  0.00  0.00    -0.271 NA
ATOM     29  C   LIG    1       -7.412   0.087  -0.603  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -6.209   2.121  -1.145  0.00  0.00    +0.114 C 
ATOM     31  C   LIG    1       -5.108   1.692  -2.071  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1       -4.256   0.688  -1.803  0.00  0.00    -0.007 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3