REMARK  Name = BDB062192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.323  -0.186   2.106  0.00  0.00    +0.161 C 
ATOM      2  N   LIG    1        1.099  -0.840   3.260  0.00  0.00    -0.260 N 
ATOM      3  H   LIG    1        1.635  -0.765   4.106  0.00  0.00    +0.157 HD
ATOM      4  C   LIG    1        0.017  -1.637   3.083  0.00  0.00    +0.268 C 
ATOM      5  O   LIG    1       -0.507  -2.392   3.876  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.365  -1.355   1.667  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -1.403  -1.963   1.079  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.510  -0.433   1.131  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.856  -1.774  -0.308  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -1.819  -0.527  -0.950  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.301  -0.440  -2.240  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -2.332   0.687  -3.002  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -2.924   0.177  -4.215  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.239  -1.230  -4.154  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -2.819  -1.530  -2.897  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -2.888  -2.768  -2.299  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -2.406  -2.885  -0.990  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  S   LIG    1        2.662   0.891   2.092  0.00  0.00    -0.090 S 
BRANCH  18  19
ATOM     19  C   LIG    1        2.568   1.495   0.378  0.00  0.00    +0.077 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.532   3.827   0.793  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        3.675   2.501   0.059  0.00  0.00    +0.008 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4