REMARK  Name = BDB049768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.447   0.455  -0.225  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.246  -0.332   0.697  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.641  -0.452   0.643  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.394   0.193  -0.349  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.693   0.950  -1.299  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.296   1.067  -1.243  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.864   0.028  -0.352  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        4.885   0.944  -1.395  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        6.275   0.165  -0.751  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.870  -0.744   0.224  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.851  -1.503   0.893  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        8.202  -1.334   0.571  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.583  -0.420  -0.406  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.628   0.345  -1.084  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        4.505  -0.809   0.441  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.856   0.547  -0.251  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -2.166   1.304  -0.851  0.00  0.00    +0.154 HD
BRANCH  16  25
ATOM     18  C   LIG    1       -6.628  -0.144  -2.340  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -6.078  -0.021  -0.947  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -6.898  -0.069   0.184  0.00  0.00    +0.046 A 
ATOM     21 CL   LIG    1       -8.609  -0.263   0.050  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -6.348   0.034   1.464  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.985   0.190   1.664  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -4.141   0.256   0.548  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1       -2.769   0.424   0.833  0.00  0.00    +0.134 A 
ATOM     26  N   LIG    1       -2.309   0.491   2.095  0.00  0.00    -0.220 NA
ATOM     27  C   LIG    1       -3.213   0.411   3.073  0.00  0.00    +0.223 A 
ATOM     28  N   LIG    1       -4.533   0.271   2.917  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -4.700   0.139  -0.753  0.00  0.00    +0.018 A 
ENDBRANCH  16  25
ENDBRANCH   1  16
TORSDOF 3