REMARK  Name = BDB009069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.286   0.749  -0.925  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.141   1.296  -0.340  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.171   1.950  -1.122  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        0.386   2.082  -2.500  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.527   1.543  -3.090  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.469   0.877  -2.307  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.504   0.090   1.972  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.357  -0.216   1.144  0.00  0.00    +0.273 C 
ATOM      9  N   LIG    1        3.290   0.070  -0.213  0.00  0.00    -0.280 N 
ATOM     10  H   LIG    1        4.088  -0.275  -0.742  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.584  -0.945   1.474  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        4.936  -1.427   3.081  0.00  0.00    -0.071 S 
ATOM     13  C   LIG    1        6.402  -2.127   2.534  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        6.525  -1.947   1.173  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        5.486  -1.271   0.561  0.00  0.00    -0.243 NA
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.062   2.566  -0.495  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.741   1.693   0.557  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.613   0.555   0.126  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -2.822   0.249  -1.331  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -3.492  -1.106  -1.580  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.637  -1.345  -0.604  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.139  -1.302   0.842  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.197  -0.160   1.103  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.936   0.170   2.527  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -3.433  -0.480   3.441  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -2.119   1.243   2.752  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -1.913   1.478   3.717  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -1.524   2.008   1.799  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4