REMARK  Name = BDB047034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.574  -2.759  -0.296  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.502  -3.775  -0.253  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.612  -1.975  -0.205  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.659  -0.595  -0.396  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.857   0.116  -0.207  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.885   1.557  -0.436  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -3.012   2.259  -0.257  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.272   1.582   0.184  0.00  0.00    +0.254 A 
ATOM      9  N   LIG    1       -4.221   0.205   0.389  0.00  0.00    -0.311 N 
ATOM     10  C   LIG    1       -5.440  -0.469   0.808  0.00  0.00    +0.152 C 
ATOM     11  O   LIG    1       -5.287   2.257   0.346  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -3.096   3.737  -0.483  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -3.023  -0.546   0.199  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1       -2.964  -1.929   0.413  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -1.769  -2.631   0.220  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        1.999  -2.263  -1.040  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        2.820  -3.454  -1.108  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.634  -1.513  -2.222  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1        3.711  -0.233  -0.271  0.00  0.00    +0.148 A 
ATOM     20  C   LIG    1        2.771  -1.185   0.151  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        2.426  -1.299   1.507  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.001  -0.444   2.448  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.925   0.518   2.038  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.280   0.619   0.685  0.00  0.00    +0.066 A 
BRANCH  19  26
ATOM     25  C   LIG    1        4.930   0.787  -2.065  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.038  -0.216  -1.596  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  23  27
ATOM     27  C   LIG    1        4.519   1.399   3.002  0.00  0.00    +0.099 C 
ATOM     28  N   LIG    1        4.999   2.114   3.779  0.00  0.00    -0.191 NA
ENDBRANCH  23  27
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 5