REMARK  Name = BDB049738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.490  -0.021  -0.524  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.317  -0.219   0.597  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.683   0.097   0.575  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.298   0.625  -0.571  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.489   0.826  -1.696  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.122   0.508  -1.669  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.743   0.936  -0.528  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1        4.590   1.549  -1.899  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        6.053   1.599  -1.000  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        5.802   1.143   0.293  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        6.868   1.096   1.214  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        8.147   1.504   0.820  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        8.373   1.956  -0.476  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.332   2.011  -1.408  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        4.494   0.772   0.545  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -1.856  -0.310  -0.567  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1       -2.337  -0.142  -1.438  0.00  0.00    +0.155 HD
BRANCH  16  20
ATOM     18  C   LIG    1       -4.980  -1.446   0.686  0.00  0.00    +0.126 A 
ATOM     19  N   LIG    1       -4.022  -0.960  -0.126  0.00  0.00    -0.199 NA
ATOM     20  C   LIG    1       -2.769  -0.832   0.346  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1       -2.413  -1.172   1.590  0.00  0.00    -0.223 NA
ATOM     22  C   LIG    1       -3.374  -1.675   2.378  0.00  0.00    +0.118 A 
ATOM     23  C   LIG    1       -4.675  -1.835   1.976  0.00  0.00    +0.063 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -6.413  -1.380  -1.238  0.00  0.00    +0.130 C 
ATOM     25  N   LIG    1       -6.300  -1.597   0.205  0.00  0.00    -0.321 N 
ATOM     26  C   LIG    1       -7.286  -0.859   0.998  0.00  0.00    +0.130 C 
ENDBRANCH  18  25
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 4