REMARK  Name = BDB054797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.922  -1.429  -0.788  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1        1.792  -2.581  -1.574  0.00  0.00    +0.147 A 
ATOM      3  F   LIG    1        2.519  -2.745  -2.688  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        0.823  -3.543  -1.292  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -0.048  -3.365  -0.219  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.059  -2.229   0.591  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1        1.054  -1.280   0.305  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.375   2.951  -1.170  0.00  0.00    +0.069 C 
ATOM      9  C   LIG    1        3.974   1.526  -1.195  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1        2.809   0.946  -0.870  0.00  0.00    +0.221 A 
ATOM     11  N   LIG    1        2.874  -0.423  -1.081  0.00  0.00    -0.229 N 
ATOM     12  C   LIG    1        4.196  -0.710  -1.560  0.00  0.00    +0.334 A 
ATOM     13  O   LIG    1        4.744  -1.769  -1.811  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1        4.831   0.546  -1.623  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        5.788   0.658  -1.920  0.00  0.00    +0.170 HD
BRANCH  10  16
ATOM     16  O   LIG    1        1.675   1.593  -0.480  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        0.927   1.020  -0.728  0.00  0.00    +0.294 HD
ENDBRANCH  10  16
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  C   LIG    1       -0.919  -1.997   1.719  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.243  -1.437   1.210  0.00  0.00    +0.087 A 
ATOM     20  C   LIG    1       -2.343   0.030   0.874  0.00  0.00    +0.059 A 
ATOM     21  N   LIG    1       -1.303   0.921   1.139  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1       -0.761   0.676   1.964  0.00  0.00    +0.146 HD
ATOM     23  C   LIG    1       -1.533   2.362   1.034  0.00  0.00    +0.102 C 
ATOM     24  C   LIG    1       -2.392   2.650  -0.193  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -3.699   1.848  -0.148  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -3.485   0.425   0.290  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -4.595  -0.532   0.086  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1       -5.654  -0.191  -0.431  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.377  -1.809   0.530  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.124  -2.481   0.389  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.216  -2.287   1.054  0.00  0.00    -0.174 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4