REMARK  Name = BDB019074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.572   0.252   0.214  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -2.036  -1.009  -0.151  0.00  0.00    +0.079 A 
ATOM      3  N   LIG    1       -0.675  -1.171  -0.014  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.396  -2.470  -0.350  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -1.471  -3.113  -0.759  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.176  -0.142   0.427  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.323   1.016   0.772  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.496  -2.207  -0.646  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -1.691   1.182   0.647  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.183   2.092  -0.739  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.996   1.375  -0.217  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -6.129   0.484   0.771  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.875   0.037   0.991  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.665  -0.929   2.047  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.945   0.607   0.153  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -4.653   1.493  -0.632  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.534  -0.345   0.523  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.914   0.411   1.091  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.319  -0.427  -0.706  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.755  -0.692  -0.365  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.647   0.320  -0.021  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.434   1.781   0.123  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.890   2.238   0.217  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.704   1.128   0.660  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.959   0.026   0.331  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.443  -1.266   0.363  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.569  -2.296   0.017  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.246  -2.004  -0.339  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        3.431  -3.021  -0.657  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4