REMARK  Name = BDB051989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836   1.958  -2.938  0.00  0.00    +0.116 A 
ATOM      2  S   LIG    1       -0.549   3.646  -2.776  0.00  0.00    -0.077 S 
ATOM      3  C   LIG    1        0.874   3.306  -1.880  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        1.051   1.941  -1.756  0.00  0.00    +0.079 A 
ATOM      5  N   LIG    1        0.075   1.180  -2.387  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.159   1.300  -1.048  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.015   2.004  -0.193  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        4.062   1.349   0.472  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.283  -0.026   0.307  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1        3.420  -0.728  -0.547  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.375  -0.075  -1.212  0.00  0.00    +0.010 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.380  -0.711   1.010  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        5.139  -1.854   1.791  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        6.179  -2.504   2.459  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.482  -2.023   2.357  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.744  -0.892   1.588  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.702  -0.242   0.921  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.037   1.458  -3.684  0.00  0.00    +0.291 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.226   1.782  -2.955  0.00  0.00    -0.485 OA
BRANCH  19  25
ATOM     20  C   LIG    1       -6.861   0.780   0.081  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -5.503   0.440  -0.457  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1       -4.782  -0.653   0.036  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -3.536  -0.982  -0.496  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -2.971  -0.191  -1.500  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -3.660   0.918  -1.988  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1       -4.920   1.226  -1.462  0.00  0.00    +0.052 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -5.342  -1.429   1.016  0.00  0.00    -0.481 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.674  -1.263   2.264  0.00  0.00    +0.349 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.737  -2.409   2.639  0.00  0.00    +0.343 C 
ATOM     30  O   LIG    1       -3.527  -3.408   1.969  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.129  -2.216   3.838  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -3.365  -1.380   4.283  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9