REMARK  Name = BDB053659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.748  -2.487  -0.054  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        3.467  -3.859  -0.393  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1        2.722  -4.593   0.480  0.00  0.00    -0.234 N 
ATOM      4  C   LIG    1        2.565  -5.861  -0.014  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.218  -5.936  -1.225  0.00  0.00    +0.022 A 
ATOM      6  N   LIG    1        2.225  -4.141   1.634  0.00  0.00    -0.139 NA
ATOM      7  C   LIG    1        2.521  -2.903   1.870  0.00  0.00    +0.214 A 
ATOM      8  C   LIG    1        3.791  -4.663  -1.469  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1        3.271  -2.075   1.079  0.00  0.00    -0.203 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        4.501  -1.713  -0.916  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        4.885  -2.188  -1.718  0.00  0.00    +0.155 HD
BRANCH  10  17
ATOM     12  C   LIG    1        5.988   2.883  -1.957  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1        5.381   1.659  -1.393  0.00  0.00    +0.035 A 
ATOM     14  N   LIG    1        4.566   1.683  -0.299  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        4.270   2.484   0.250  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1        4.119   0.474   0.061  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1        4.652  -0.374  -0.820  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1        5.454   0.333  -1.756  0.00  0.00    +0.068 A 
ENDBRANCH  10  17
ENDBRANCH   1  10
BRANCH   7  19
ATOM     19  S   LIG    1        1.916  -2.220   3.378  0.00  0.00    -0.048 S 
BRANCH  19  20
ATOM     20  C   LIG    1        0.646  -1.143   2.746  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        0.968   0.033   2.065  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1       -0.039   0.881   1.587  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -1.381   0.566   1.792  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -1.704  -0.608   2.482  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -0.698  -1.456   2.958  0.00  0.00    +0.017 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -2.449   1.362   1.346  0.00  0.00    -0.284 N 
ATOM     27  H   LIG    1       -3.393   1.025   1.515  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1       -2.402   2.534   0.612  0.00  0.00    +0.231 C 
ATOM     29  O   LIG    1       -1.399   3.125   0.226  0.00  0.00    -0.274 OA
BRANCH  28  30
ATOM     30  C   LIG    1       -3.805   3.111   0.361  0.00  0.00    +0.181 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -4.819   2.036   0.193  0.00  0.00    -0.290 NA
ATOM     32  C   LIG    1       -4.608   1.322  -1.097  0.00  0.00    +0.113 C 
ATOM     33  C   LIG    1       -5.904   0.685  -1.622  0.00  0.00    +0.175 C 
ATOM     34  O   LIG    1       -6.910   1.658  -1.932  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1       -6.811   2.847  -1.137  0.00  0.00    +0.175 C 
ATOM     36  C   LIG    1       -6.192   2.592   0.246  0.00  0.00    +0.113 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 7