REMARK  Name = BDB019068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.502  -0.409  -0.223  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -1.978  -0.223  -1.518  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1       -0.638  -0.032  -1.771  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.538   0.108  -3.136  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.773   0.014  -3.727  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.233  -0.017  -0.652  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.343  -0.193   0.558  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.616  -0.171  -2.732  0.00  0.00    +0.206 A 
ATOM      9  N   LIG    1       -1.690  -0.381   0.802  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.698   0.150  -0.724  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        2.482  -0.803  -1.383  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.869  -0.648  -1.460  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        4.498   0.462  -0.878  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1        3.709   1.421  -0.227  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.322   1.266  -0.149  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.000   0.638  -0.980  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1        6.753  -0.526  -0.478  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        6.685  -0.650   0.987  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1        7.774   0.259   1.538  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1        8.760   0.438   0.392  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1        8.190  -0.388  -0.752  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1       -3.860  -0.608  -0.073  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -4.354  -1.008  -0.862  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.412  -1.026   1.204  0.00  0.00    +0.143 C 
BRANCH  24  27
ATOM     25  F   LIG    1       -6.152  -3.269   1.128  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -6.718  -2.053   1.119  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -5.908  -0.911   1.161  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -6.558   0.320   1.139  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.999   1.693   1.099  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.273   2.486   1.393  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -8.422   1.682   1.037  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.943   0.399   1.071  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -8.743  -0.725   1.020  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -8.116  -1.970   1.050  0.00  0.00    +0.042 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6