REMARK  Name = BDB057210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.106  -2.692   2.410  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.834  -1.869   1.865  0.00  0.00    +0.271 A 
ATOM      3  C   LIG    1       -0.268  -0.779   1.017  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -1.056   0.172   0.501  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.501   0.110   0.689  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.014  -0.902   1.419  0.00  0.00    +0.094 A 
ATOM      7  N   LIG    1       -2.203  -1.855   1.992  0.00  0.00    -0.327 N 
ATOM      8  H   LIG    1       -2.606  -2.601   2.547  0.00  0.00    +0.168 HD
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.420   1.092   0.087  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -3.493   1.220  -1.302  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.363   2.158  -1.832  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -5.146   2.963  -1.083  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -5.053   2.827   0.257  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.216   1.919   0.883  0.00  0.00    +0.028 A 
ENDBRANCH   5   9
BRANCH   3  15
ATOM     15  N   LIG    1        1.148  -0.699   0.821  0.00  0.00    -0.211 N 
ATOM     16  H   LIG    1        1.579  -1.377   1.466  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.588  -1.212  -0.748  0.00  0.00    +0.072 S 
ATOM     18  O   LIG    1        0.917  -0.395  -1.737  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        1.503  -2.655  -0.766  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.305  -0.756  -0.762  0.00  0.00    +0.108 A 
ATOM     21  C   LIG    1        3.652   0.585  -0.957  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        4.998   0.948  -0.979  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.986  -0.025  -0.813  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.634  -1.363  -0.629  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.290  -1.735  -0.605  0.00  0.00    +0.029 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4