REMARK  Name = BDB028310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.255  -1.474  -0.832  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.065  -0.611  -0.067  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.074   0.156  -0.669  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.280   0.063  -2.041  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.340   0.869  -2.667  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.065   1.672  -1.821  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.802   2.236  -2.235  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.890   1.787  -0.477  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.554   0.818  -3.872  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.489  -0.786  -2.820  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.954   1.080   0.090  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.485  -1.547  -2.216  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.772  -2.469   1.224  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        0.768  -1.692   0.638  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -0.196  -2.274  -0.199  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -0.093  -3.652  -0.398  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.856  -4.443   0.156  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        1.761  -3.833   0.956  0.00  0.00    +0.125 A 
BRANCH  13  19
ATOM     19  S   LIG    1        3.009  -1.773   2.295  0.00  0.00    -0.088 S 
BRANCH  19  24
ATOM     20  C   LIG    1        5.183   2.860  -1.019  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.625   1.719  -0.221  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        4.693   0.410  -0.712  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        4.204  -0.658   0.046  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        3.643  -0.430   1.306  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.598   0.872   1.810  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        4.088   1.940   1.052  0.00  0.00    +0.004 A 
ENDBRANCH  19  24
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -3.748   1.204   1.604  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.690   2.165   2.188  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.635   1.866   1.932  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.586   3.047   1.680  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5