REMARK  Name = BDB009498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.271  -0.615   1.472  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.555   0.616   2.066  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.421   1.492   2.353  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.865   0.980   2.373  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.916   0.109   2.088  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.662  -1.135   1.496  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.337  -1.484   1.185  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.295  -2.145   0.601  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.112  -1.052   1.127  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1        2.146  -0.186   1.418  0.00  0.00    -0.308 N 
ATOM     11  H   LIG    1        1.916   0.749   1.739  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.521  -0.459   1.009  0.00  0.00    +0.076 C 
ATOM     13  C   LIG    1        4.516   0.288   1.907  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1        5.100   1.515   1.218  0.00  0.00    +0.110 C 
ATOM     15  N   LIG    1        5.774   1.155  -0.025  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        6.889   1.907  -0.417  0.00  0.00    +0.265 C 
ATOM     17  O   LIG    1        7.201   2.936   0.188  0.00  0.00    -0.268 OA
ATOM     18  C   LIG    1        5.169   0.092  -0.830  0.00  0.00    +0.110 C 
ATOM     19  C   LIG    1        3.703  -0.133  -0.478  0.00  0.00    +0.041 C 
BRANCH  16  20
ATOM     20  C   LIG    1        7.705   1.455  -1.563  0.00  0.00    +0.133 A 
ATOM     21  N   LIG    1        7.645   0.172  -2.117  0.00  0.00    -0.243 NA
ATOM     22  C   LIG    1        8.510   0.063  -3.100  0.00  0.00    +0.156 A 
ATOM     23  S   LIG    1        9.455   1.450  -3.432  0.00  0.00    -0.083 S 
ATOM     24  C   LIG    1        8.657   2.271  -2.159  0.00  0.00    +0.079 A 
ENDBRANCH  16  20
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  25
ATOM     25  C   LIG    1       -3.796  -2.077   1.159  0.00  0.00    +0.094 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.420  -1.760  -0.195  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1       -5.619  -0.850  -0.264  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -6.265  -0.386   0.881  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1       -6.222  -1.028   1.668  0.00  0.00    +0.146 HD
ATOM     30  C   LIG    1       -7.557   0.287   0.771  0.00  0.00    +0.102 C 
ATOM     31  C   LIG    1       -7.549   1.212  -0.442  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -7.174   0.443  -1.715  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -6.023  -0.501  -1.496  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -5.361  -1.063  -2.694  0.00  0.00    +0.270 A 
ATOM     35  O   LIG    1       -5.721  -0.767  -3.829  0.00  0.00    -0.266 OA
ATOM     36  N   LIG    1       -4.344  -1.949  -2.457  0.00  0.00    -0.243 N 
ATOM     37  H   LIG    1       -3.869  -2.337  -3.265  0.00  0.00    +0.192 HD
ATOM     38  N   LIG    1       -3.842  -2.281  -1.238  0.00  0.00    -0.174 NA
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 5