REMARK  Name = BDB062189
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.592  -0.284   1.968  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -0.081  -0.114   0.967  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1        0.375  -0.026  -0.474  0.00  0.00    +0.199 C 
ATOM      4  N   LIG    1       -0.878   0.349  -1.209  0.00  0.00    -0.243 NA
ATOM      5  C   LIG    1       -1.821   0.340  -0.316  0.00  0.00    +0.187 C 
ATOM      6  N   LIG    1       -1.423   0.057   0.938  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -1.993   0.118   1.764  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1       -3.108   0.652  -0.614  0.00  0.00    -0.287 N 
ATOM      9  H   LIG    1       -3.237   0.945  -1.577  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -4.295   0.195  -0.013  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.471   0.932  -0.220  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -6.675   0.558   0.382  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.720  -0.562   1.206  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.564  -1.306   1.425  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.360  -0.927   0.822  0.00  0.00    +0.023 A 
ENDBRANCH   8  10
ENDBRANCH   5   8
BRANCH   3  16
ATOM     16  C   LIG    1        1.431   1.058  -0.684  0.00  0.00    +0.071 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.842   0.530  -0.542  0.00  0.00    -0.041 A 
ATOM     18  C   LIG    1        3.507   0.595   0.692  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1        4.789   0.090   0.766  0.00  0.00    +0.166 A 
ATOM     20  O   LIG    1        5.574   0.076   1.877  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1        6.759  -0.564   1.362  0.00  0.00    +0.466 C 
ATOM     22  O   LIG    1        6.667  -0.908  -0.036  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        5.412  -0.470  -0.323  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1        4.790  -0.557  -1.549  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        3.491  -0.052  -1.656  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4