REMARK  Name = BDB011681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.046   1.391  -0.234  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -3.340   2.099  -0.155  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.992   2.204   1.087  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -5.224   2.856   1.207  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -5.805   3.410   0.076  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -5.181   3.329  -1.164  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -6.983   4.037   0.178  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.350   1.628   2.292  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -3.879   1.688   3.396  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -2.126   1.032   2.107  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -1.679   0.679   2.945  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -3.950   2.677  -1.281  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.478   0.920   0.898  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -0.162   0.254   0.914  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.985   0.903   0.456  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.228   0.255   0.477  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.382  -1.054   0.957  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        1.215  -1.686   1.415  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -0.034  -1.050   1.400  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  N   LIG    1        3.602  -1.686   0.971  0.00  0.00    -0.330 N 
ATOM     21  C   LIG    1        3.856  -2.971   1.620  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        5.379  -3.061   1.683  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        5.821  -2.277   0.460  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        4.831  -1.116   0.422  0.00  0.00    +0.105 C 
ENDBRANCH  17  20
ENDBRANCH  13  14
BRANCH   1  25
ATOM     25  O   LIG    1       -1.449   1.327  -1.478  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.709   0.069  -2.121  0.00  0.00    +0.244 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.869   0.009  -3.400  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -1.048  -1.247  -4.127  0.00  0.00    -0.327 NA
ATOM     29  H   LIG    1       -0.459  -1.235  -4.960  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1       -0.702  -2.019  -3.555  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 6