REMARK  Name = BDB057354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.062  -0.332  -0.001  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1       -0.989   0.731  -0.003  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -2.301   0.576   0.406  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1       -3.161   1.620   0.487  0.00  0.00    -0.204 NA
ATOM      5  C   LIG    1       -2.732   2.826   0.093  0.00  0.00    +0.190 A 
ATOM      6  N   LIG    1       -1.504   3.068  -0.376  0.00  0.00    -0.230 NA
ATOM      7  N   LIG    1       -2.879  -0.644   0.741  0.00  0.00    -0.321 N 
ATOM      8  H   LIG    1       -3.861  -0.504   0.949  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.577  -1.830   0.189  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -3.483  -2.792  -0.011  0.00  0.00    -0.154 NA
ATOM     11  N   LIG    1       -2.783  -3.779  -0.597  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -3.273  -4.633  -0.839  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1       -1.459  -3.490  -0.775  0.00  0.00    +0.060 A 
ATOM     14  C   LIG    1       -0.500  -4.449  -1.360  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -1.303  -2.222  -0.270  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -0.665   2.014  -0.414  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1       -0.059  -1.615  -0.157  0.00  0.00    -0.241 NA
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        4.141   0.908   0.568  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        3.792   0.102  -0.518  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.464  -0.300  -0.696  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        1.479   0.114   0.207  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.825   0.902   1.308  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        3.153   1.301   1.477  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        6.443   0.980  -0.024  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.395   1.371   0.855  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH   1  21
BRANCH   5  26
ATOM     26  S   LIG    1       -3.832   4.216   0.181  0.00  0.00    -0.089 S 
ATOM     27  C   LIG    1       -5.362   3.391   0.683  0.00  0.00    +0.093 C 
ENDBRANCH   5  26
TORSDOF 3