REMARK  Name = BDB060849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.232   0.032  -0.200  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        1.348  -0.192   0.541  0.00  0.00    -0.316 N 
ATOM      3  H   LIG    1        1.366  -0.461   1.511  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        2.417   0.021  -0.293  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        1.939   0.359  -1.481  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1        0.562   0.365  -1.420  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.827  -0.106   0.081  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        4.816   0.145  -0.883  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        6.173   0.035  -0.569  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        6.562  -0.328   0.717  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.596  -0.581   1.687  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.237  -0.471   1.373  0.00  0.00    +0.011 A 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  S   LIG    1       -1.331  -0.134   0.492  0.00  0.00    -0.081 S 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.363   0.283  -0.947  0.00  0.00    +0.112 C 
BRANCH  14  18
ATOM     15  C   LIG    1       -6.554   0.075   0.057  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.897  -1.054  -0.428  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.541  -0.988  -0.755  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.831   0.213  -0.605  0.00  0.00    -0.037 A 
ATOM     19  C   LIG    1       -4.502   1.340  -0.110  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.858   1.271   0.217  0.00  0.00    +0.000 A 
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4