REMARK  Name = BDB045033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352   1.237  -1.768  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1       -1.678   1.719  -1.506  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -2.667   0.928  -2.059  0.00  0.00    -0.004 A 
ATOM      4  S   LIG    1       -1.994  -0.360  -2.960  0.00  0.00    -0.100 S 
ATOM      5  C   LIG    1       -0.399   0.126  -2.590  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        5.064  -1.265   0.910  0.00  0.00    +0.215 C 
ATOM      7  N   LIG    1        4.084  -0.392   0.459  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1        4.344   0.785  -0.380  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1        3.158   1.755  -0.443  0.00  0.00    +0.127 C 
ATOM     10  N   LIG    1        1.907   1.092  -0.816  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        0.874   1.891  -1.306  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        0.973   3.116  -1.349  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.722  -0.282  -0.324  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1        2.685  -0.648   0.815  0.00  0.00    +0.126 C 
ATOM     15  O   LIG    1        4.798  -2.230   1.625  0.00  0.00    -0.276 OA
BRANCH   6  17
ATOM     16  C   LIG    1        7.469  -2.045   0.910  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        6.491  -0.965   0.474  0.00  0.00    +0.092 C 
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   3  18
ATOM     18  C   LIG    1       -4.155   1.112  -1.983  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.602   1.128  -0.526  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1       -4.854  -0.147   0.195  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -5.230  -0.056   1.534  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1       -5.481  -1.210   2.287  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -5.356  -2.465   1.695  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.983  -2.564   0.355  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.367   1.271   2.155  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1       -5.694   1.397   3.330  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -5.113   2.347   1.341  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1       -5.201   3.271   1.752  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1       -4.733  -1.411  -0.396  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1       -4.734   2.295   0.038  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4