REMARK  Name = BDB062003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.182  -0.954  -0.110  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.225  -1.837  -0.859  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        1.071  -1.244  -0.515  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        0.936  -0.034   0.082  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        2.086   0.608   0.428  0.00  0.00    -0.242 NA
ATOM      6  C   LIG    1        3.116  -0.166   0.088  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        2.668  -1.682  -0.679  0.00  0.00    -0.071 S 
ATOM      8  C   LIG    1       -0.488   0.341   0.210  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.531   0.201   0.320  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        4.814   1.441   0.926  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        6.129   1.847   1.172  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.178   1.013   0.813  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        8.439   1.397   1.046  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        6.935  -0.216   0.215  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        5.618  -0.621  -0.031  0.00  0.00    +0.013 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  C   LIG    1       -2.464  -0.807  -0.805  0.00  0.00    +0.134 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -3.874  -1.184   1.286  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1       -3.656  -0.306   0.046  0.00  0.00    +0.143 C 
ATOM     19  O   LIG    1       -4.844  -0.383  -0.756  0.00  0.00    -0.456 OA
ATOM     20  C   LIG    1       -5.542   0.733  -0.447  0.00  0.00    +0.276 C 
ATOM     21  N   LIG    1       -4.971   1.672   0.223  0.00  0.00    -0.233 NA
ATOM     22  C   LIG    1       -3.595   1.176   0.402  0.00  0.00    +0.195 C 
BRANCH  20  23
ATOM     23  N   LIG    1       -6.800   0.729  -0.921  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -6.941   0.144  -1.733  0.00  0.00    +0.147 HD
ATOM     25  H   LIG    1       -7.207   1.654  -0.985  0.00  0.00    +0.147 HD
ENDBRANCH  20  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4