REMARK  Name = BDB033491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.722   1.537   0.382  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.887   0.146   0.383  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.942  -0.491  -0.285  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.786  -1.893  -0.043  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1       -0.658  -2.073   0.727  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -2.874   0.299  -1.011  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -4.040  -0.284  -1.766  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.680   1.695  -1.037  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1       -0.120  -0.840   0.968  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.759  -0.667   1.442  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.625   2.298  -0.358  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.349   2.182   1.067  0.00  0.00    -0.213 N 
ATOM     13  H   LIG    1        0.661   1.721   1.920  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        1.702   2.619   0.140  0.00  0.00    +0.090 S 
ATOM     15  O   LIG    1        2.618   3.307   1.024  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        1.296   3.174  -1.133  0.00  0.00    -0.148 OA
BRANCH  14  21
ATOM     17  C   LIG    1        3.613  -2.210   0.735  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        3.344  -0.894   0.090  0.00  0.00    +0.077 A 
ATOM     19  S   LIG    1        4.040  -0.541  -1.443  0.00  0.00    -0.079 S 
ATOM     20  C   LIG    1        3.305   1.004  -1.420  0.00  0.00    +0.096 A 
ATOM     21  C   LIG    1        2.572   1.152  -0.260  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1        2.584   0.051   0.609  0.00  0.00    -0.225 NA
ENDBRANCH  14  21
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1       -2.616  -2.961  -0.511  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.284  -3.832  -0.889  0.00  0.00    -0.191 NA
ENDBRANCH   4  23
TORSDOF 4