REMARK  Name = BDB063871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.154   3.877  -0.591  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.071   2.684  -0.601  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.885   1.548  -0.499  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.201   1.742  -0.347  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.189   0.359  -0.568  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.055   0.714  -0.691  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.266   2.049  -0.708  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.135   2.533  -0.835  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.232   0.700  -0.220  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.334   0.958   0.613  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.346  -0.013   0.722  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.295  -1.217   0.017  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.364  -2.075   0.224  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.205  -1.527   1.070  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.195  -1.456  -0.828  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.789   0.023   1.666  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.181  -0.495  -0.942  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.067  -0.185  -0.795  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.725  -1.133  -0.645  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.439   0.051  -0.396  0.00  0.00    +0.079 C 
ATOM     21  C   LIG    1       -4.351  -1.060  -0.908  0.00  0.00    +0.097 C 
ATOM     22  C   LIG    1       -5.453  -1.057   0.122  0.00  0.00    +0.251 C 
ATOM     23  F   LIG    1       -6.212  -2.164   0.061  0.00  0.00    -0.206 F 
ATOM     24  F   LIG    1       -6.259   0.013  -0.067  0.00  0.00    -0.206 F 
ATOM     25  C   LIG    1       -4.726  -0.932   1.440  0.00  0.00    +0.077 C 
ATOM     26  C   LIG    1       -3.593   0.047   1.135  0.00  0.00    +0.028 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3