REMARK  Name = BDB011680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.611  -1.044   0.117  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -0.597  -0.499  -0.142  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1       -1.799  -1.359  -0.127  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.671  -2.710   0.243  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -2.782  -3.559   0.285  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1       -4.029  -3.053  -0.052  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -4.184  -1.724  -0.433  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -5.100  -3.855  -0.017  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -0.330  -3.247   0.574  0.00  0.00    +0.257 A 
ATOM     10  O   LIG    1       -0.166  -4.413   0.909  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -3.072  -0.878  -0.473  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        0.722  -2.368   0.472  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1        1.636  -2.762   0.661  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        4.267   1.193  -0.055  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        3.877   0.572   1.135  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        2.684  -0.157   1.188  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.867  -0.270   0.054  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.268   0.352  -1.137  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        3.460   1.081  -1.192  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1        6.477   2.547  -0.156  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1        5.488   1.942  -0.111  0.00  0.00    +0.099 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   2  22
ATOM     22  O   LIG    1       -0.781   0.821  -0.509  0.00  0.00    -0.488 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -0.911   1.668   0.644  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.985   3.120   0.161  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -1.165   4.064   1.261  0.00  0.00    -0.327 NA
ATOM     26  H   LIG    1       -2.074   3.917   1.699  0.00  0.00    +0.118 HD
ATOM     27  H   LIG    1       -1.185   5.013   0.888  0.00  0.00    +0.118 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6