REMARK  Name = BDB055577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.236   0.506   0.385  0.00  0.00    -0.251 N 
ATOM      2  C   LIG    1        1.012   1.196  -0.768  0.00  0.00    +0.141 C 
ATOM      3  S   LIG    1        2.086   1.992  -1.748  0.00  0.00    -0.018 S 
ATOM      4  N   LIG    1       -0.328   1.156  -1.061  0.00  0.00    -0.305 N 
ATOM      5  H   LIG    1       -0.728   1.670  -1.834  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1       -1.114   0.412  -0.090  0.00  0.00    +0.162 C 
ATOM      7  C   LIG    1        0.050  -0.009   0.863  0.00  0.00    +0.254 C 
ATOM      8  O   LIG    1       -0.057  -0.689   1.879  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.757  -0.847  -0.695  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -2.575  -1.665   0.108  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.172  -2.817  -0.407  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.960  -3.178  -1.734  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.148  -2.390  -2.545  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.549  -1.236  -2.031  0.00  0.00    +0.006 A 
ENDBRANCH   6   9
BRANCH   6  15
ATOM     15  C   LIG    1       -2.137   1.376   0.528  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1       -2.054   1.829   1.856  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -3.000   2.721   2.372  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.044   3.178   1.573  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.147   2.745   0.255  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.203   1.855  -0.263  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  21
ATOM     21  C   LIG    1        2.515   0.255   1.043  0.00  0.00    +0.118 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.143  -1.050   0.550  0.00  0.00    +0.047 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.443  -1.364   1.284  0.00  0.00    +0.161 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.056  -0.219  -0.037  0.00  0.00    +0.193 C 
ATOM     25  O   LIG    1        5.382  -0.294   1.213  0.00  0.00    -0.383 OA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6