REMARK  Name = BDB040859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.010  -1.564   1.277  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        6.549  -1.333  -0.159  0.00  0.00    +0.156 C 
ATOM      3  N   LIG    1        5.964   0.014  -0.305  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1        4.592   0.103  -0.795  0.00  0.00    +0.134 C 
ATOM      5  C   LIG    1        4.152   1.467  -0.343  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1        5.347   2.132   0.112  0.00  0.00    +0.142 C 
ATOM      7  F   LIG    1        5.380   3.397   0.549  0.00  0.00    -0.204 F 
ATOM      8  C   LIG    1        2.843   1.745  -0.262  0.00  0.00    +0.016 C 
ATOM      9  C   LIG    1        1.878   0.667  -0.575  0.00  0.00    -0.000 C 
ATOM     10  C   LIG    1        2.281  -0.629  -0.516  0.00  0.00    +0.127 C 
ATOM     11  F   LIG    1        1.403  -1.624  -0.771  0.00  0.00    -0.208 F 
ATOM     12  C   LIG    1        3.707  -0.959  -0.157  0.00  0.00    +0.157 C 
ATOM     13  N   LIG    1        4.191  -2.245  -0.599  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        3.571  -3.037  -0.716  0.00  0.00    +0.150 HD
ATOM     15  C   LIG    1        6.365   1.257   0.153  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1        5.552  -2.507  -0.541  0.00  0.00    +0.234 C 
ATOM     17  O   LIG    1        5.947  -3.655  -0.749  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        0.463   1.073  -0.920  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -0.211   1.800   0.169  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -1.463   2.425  -0.303  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1       -2.628   1.439  -0.568  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -2.947   0.587   0.600  0.00  0.00    -0.290 NA
ATOM     23  C   LIG    1       -1.701  -0.069   1.066  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -0.545   0.930   1.315  0.00  0.00    +0.100 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.015  -0.421   0.293  0.00  0.00    +0.129 C 
ATOM     26  C   LIG    1       -5.228   0.120  -0.569  0.00  0.00    +0.258 C 
ATOM     27  F   LIG    1       -4.799   0.271  -1.859  0.00  0.00    -0.226 F 
ATOM     28  N   LIG    1       -6.375  -0.798  -0.591  0.00  0.00    -0.271 NA
ATOM     29  C   LIG    1       -7.402  -0.327  -1.514  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -6.922  -0.939   0.762  0.00  0.00    +0.114 C 
ATOM     31  C   LIG    1       -5.865  -1.228   1.787  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1       -4.554  -1.019   1.583  0.00  0.00    -0.007 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3