REMARK  Name = BDB049785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -3.846   0.381  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1       -1.225  -3.159   0.187  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.232  -1.764   0.050  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -0.001  -1.080   0.128  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.214  -1.747   0.330  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.177  -3.145   0.446  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.469  -0.983  -0.153  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1       -3.877  -1.691  -0.852  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1       -4.710  -0.193  -0.733  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -3.855   0.755  -0.174  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -4.331   2.068   0.018  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -5.639   2.396  -0.352  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.475   1.433  -0.909  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.027   0.124  -1.110  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1       -2.590   0.296   0.144  0.00  0.00    -0.239 NA
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.465  -1.108   0.378  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1        3.222  -1.696   0.695  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.867   0.214   0.135  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1        4.197   0.622   0.369  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        4.511   1.943   0.088  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1        5.832   2.144   0.379  0.00  0.00    -0.346 N 
ATOM     22  H   LIG    1        6.303   3.029   0.260  0.00  0.00    +0.167 HD
ATOM     23  C   LIG    1        6.387   0.979   0.844  0.00  0.00    +0.085 A 
ATOM     24  N   LIG    1        3.689   2.888  -0.387  0.00  0.00    -0.218 NA
ATOM     25  C   LIG    1        2.454   2.399  -0.580  0.00  0.00    +0.225 A 
ATOM     26  C   LIG    1        5.397   0.017   0.849  0.00  0.00    +0.032 A 
ATOM     27  N   LIG    1        2.012   1.148  -0.354  0.00  0.00    -0.220 NA
ENDBRANCH  16  18
ENDBRANCH   5  16
TORSDOF 3