REMARK  Name = BDB062738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.544  -1.677  -0.810  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -1.262  -0.553  -1.243  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.638  -0.636  -1.506  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -3.279  -1.873  -1.356  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.571  -2.992  -0.917  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.207  -2.896  -0.635  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.607   1.123   0.843  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.255   0.947   0.553  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        2.764  -0.287   0.121  0.00  0.00    +0.085 A 
ATOM     10  C   LIG    1        3.652  -1.361  -0.024  0.00  0.00    +0.106 A 
ATOM     11  C   LIG    1        3.060  -2.637  -0.498  0.00  0.00    +0.263 A 
ATOM     12  N   LIG    1        1.698  -2.631  -0.684  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1        1.329  -3.494  -1.054  0.00  0.00    +0.170 HD
ATOM     14  C   LIG    1        0.906  -1.522  -0.520  0.00  0.00    +0.141 A 
ATOM     15  O   LIG    1        3.696  -3.656  -0.740  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        5.021  -1.203   0.263  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        1.387  -0.381  -0.146  0.00  0.00    -0.229 NA
ATOM     18  C   LIG    1        5.486   0.048   0.699  0.00  0.00    +0.092 A 
BRANCH   7  20
ATOM     19  C   LIG    1        6.305   2.632   1.565  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.939   2.384   1.257  0.00  0.00    -0.495 OA
ENDBRANCH   7  20
BRANCH  16  21
ATOM     21  O   LIG    1        5.828  -2.298   0.110  0.00  0.00    -0.494 OA
ATOM     22  C   LIG    1        7.227  -2.150   0.307  0.00  0.00    +0.277 C 
ENDBRANCH  16  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1       -3.400   0.582  -1.975  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.646   0.870  -1.147  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -4.522   1.506   0.191  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -5.702   1.724   0.901  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -5.673   2.316   2.171  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -4.454   2.692   2.732  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.271   2.477   2.027  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.986   1.328   0.303  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -8.048   1.501   0.891  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.921   0.759  -0.945  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.798   0.481  -1.375  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -3.301   1.888   0.759  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -5.791   0.526  -1.663  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5