REMARK  Name = BDB051608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.802   0.703   0.297  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -1.768  -0.226   0.552  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -2.944   0.429   0.490  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1       -2.684   1.811   0.185  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.611   2.836   0.030  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -4.926   2.366   0.212  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.248   1.008   0.516  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.274  -0.013   0.667  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -1.331   1.954   0.069  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.280  -0.471   0.281  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.260  -1.389   0.538  0.00  0.00    +0.130 A 
ATOM     12  F   LIG    1        2.564  -2.672   0.781  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        0.921  -1.008   0.545  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        0.572   0.325   0.288  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        1.585   1.259   0.025  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.927   0.860   0.022  0.00  0.00    +0.010 A 
BRANCH  10  17
ATOM     17  C   LIG    1        4.722  -0.908   0.274  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.122  -0.902  -2.130  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.108  -1.684  -0.904  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        4.473  -2.477  -1.003  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   8  21
ATOM     21  C   LIG    1       -4.661  -1.398   0.981  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.836  -1.713   1.121  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -3.660  -2.315   1.110  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -2.685  -2.050   0.995  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.896  -3.273   1.327  0.00  0.00    +0.145 HD
ENDBRANCH   8  21
TORSDOF 4