REMARK  Name = BDB041495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.109  -1.407   0.150  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.589  -1.858  -1.086  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.004  -1.850  -1.908  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.825  -1.000   1.051  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.351  -0.512   1.404  0.00  0.00    -0.020 A 
ATOM      6  C   LIG    1        4.173  -1.364   0.636  0.00  0.00    -0.019 A 
ATOM      7  C   LIG    1        3.574  -2.237  -0.293  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        2.189  -2.269  -0.465  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.372  -1.428   0.297  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        1.956  -0.565   1.233  0.00  0.00    +0.021 A 
BRANCH   5  12
ATOM     11  C   LIG    1        3.595   1.702   2.476  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        3.912   0.403   2.408  0.00  0.00    +0.000 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.683  -1.377   0.769  0.00  0.00    +0.179 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.314  -0.155   0.281  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.251   0.458   1.037  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.638   1.491   0.285  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.985   1.524  -0.959  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.147   0.435  -0.943  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.205  -1.881  -1.510  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.217  -2.063  -2.951  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.849  -2.851  -0.652  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.772  -0.248  -1.190  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -3.886  -0.007  -0.408  0.00  0.00    +0.155 A 
ATOM     24  O   LIG    1       -4.702  -0.951   0.156  0.00  0.00    -0.484 OA
ATOM     25  C   LIG    1       -5.553  -0.230   1.086  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1       -5.536   1.261   0.693  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1       -5.004  -0.456   2.501  0.00  0.00    +0.056 C 
ATOM     28  C   LIG    1       -6.962  -0.815   0.975  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -4.305   1.290  -0.136  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.632   2.389  -0.640  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.512   2.165  -1.440  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -2.095   0.853  -1.734  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -0.972   0.672  -2.502  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -1.221   1.039  -3.862  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7