REMARK  Name = BDB009494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.325  -0.238  -1.367  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.663  -0.805  -2.593  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.051  -0.426  -3.723  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.649  -1.784  -2.667  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.320  -2.185  -1.510  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.021  -1.597  -0.271  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.011  -0.624  -0.208  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.389   1.831  -0.610  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.687   0.832  -1.263  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -1.928   0.675  -1.880  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1       -2.882   1.775  -1.763  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -3.805   1.561  -0.553  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1       -4.437   0.226  -0.572  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -5.699  -0.074  -0.066  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1       -6.112  -1.239  -0.044  0.00  0.00    -0.274 OA
ATOM     16  C   LIG    1       -3.523  -0.899  -0.845  0.00  0.00    +0.127 C 
ATOM     17  C   LIG    1       -2.583  -0.630  -2.033  0.00  0.00    +0.127 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -6.609   1.090   0.407  0.00  0.00    +0.151 C 
ATOM     19  N   LIG    1       -8.013   0.636   0.596  0.00  0.00    -0.296 NA
ATOM     20  H   LIG    1       -8.220  -0.071  -0.112  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -8.112  -0.004   1.905  0.00  0.00    +0.151 C 
ATOM     22  S   LIG    1       -6.993   0.843   3.035  0.00  0.00    -0.143 S 
ATOM     23  C   LIG    1       -6.144   1.733   1.710  0.00  0.00    +0.098 C 
ENDBRANCH  14  18
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1        2.759  -2.015   0.981  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.275  -1.885   0.861  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        4.915  -0.534   0.935  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1        4.095   0.703   1.178  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1        4.937   1.923   1.562  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.171   2.038   0.677  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        7.045   0.787   0.791  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1        6.250  -0.490   0.779  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        7.019  -1.744   0.577  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1        8.238  -1.742   0.448  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1        6.284  -2.898   0.549  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1        6.792  -3.766   0.414  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1        4.935  -2.991   0.678  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4