REMARK  Name = BDB051772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.146  -0.280  -1.239  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.206   0.364  -0.421  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.312  -0.390   0.350  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.367  -1.779   0.327  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.461  -2.514   1.084  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -1.279  -2.430  -0.496  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -2.161  -1.684  -1.283  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.614   0.318   1.247  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        1.989   0.266   1.005  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        2.611  -0.585  -0.010  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        3.895   0.025  -0.567  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1        4.881   0.410   0.549  0.00  0.00    +0.022 C 
ATOM     13  N   LIG    1        6.050   1.127  -0.005  0.00  0.00    -0.310 NA
ATOM     14  H   LIG    1        5.858   1.523  -0.923  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        7.165   0.188  -0.063  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1        6.982  -0.621   1.199  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        5.478  -0.827   1.254  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1        4.166   1.355   1.528  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        2.867   0.758   2.066  0.00  0.00    +0.110 C 
ATOM     20  O   LIG    1        0.101   0.969   2.156  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -3.109   0.531  -2.076  0.00  0.00    +0.092 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -4.585   1.425   0.372  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -5.297   0.557  -0.623  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -6.567   0.122  -0.493  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -7.475   0.362   0.678  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1       -7.184  -0.691  -1.581  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -8.342  -1.092  -1.513  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -6.392  -0.960  -2.661  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -6.802  -1.512  -3.407  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -5.104  -0.573  -2.822  0.00  0.00    -0.175 NA
ATOM     31  C   LIG    1       -4.572   0.139  -1.873  0.00  0.00    +0.069 A 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 3