REMARK  Name = BDB042773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.259   0.127  -3.140  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.858  -0.246  -1.772  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1        0.152   0.441  -0.569  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1        1.026   0.309   0.707  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.475   0.112   0.556  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.264   0.044   1.702  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        2.610   0.140   3.012  0.00  0.00    +0.273 A 
ATOM      8  N   LIG    1        1.250   0.320   2.991  0.00  0.00    -0.242 N 
ATOM      9  H   LIG    1        0.777   0.410   3.885  0.00  0.00    +0.192 HD
ATOM     10  O   LIG    1        3.254   0.064   4.052  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1        4.648  -0.095   1.603  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        5.219  -0.141   0.341  0.00  0.00    +0.126 A 
ATOM     13  F   LIG    1        6.548  -0.249   0.221  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.433  -0.068  -0.809  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        3.039   0.022  -0.712  0.00  0.00    +0.040 A 
ATOM     16  N   LIG    1        0.471   0.419   1.879  0.00  0.00    -0.175 NA
ATOM     17  N   LIG    1        2.271   0.165  -1.866  0.00  0.00    -0.340 N 
ATOM     18  H   LIG    1        2.741  -0.223  -2.684  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   3  19
ATOM     19  C   LIG    1       -1.305  -0.051  -0.220  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -2.135   1.126   0.367  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1       -3.483   0.762   0.828  0.00  0.00    -0.305 NA
ATOM     22  C   LIG    1       -3.449   0.019   2.087  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -4.248   0.070  -0.211  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -3.510  -1.115  -0.833  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -2.129  -0.698  -1.339  0.00  0.00    +0.007 C 
ENDBRANCH   3  19
TORSDOF 1