REMARK  Name = BDB060731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.077   1.790  -0.730  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.350   0.582  -0.671  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.976   0.531  -0.996  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        1.542   1.686  -1.401  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.824   2.864  -1.484  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -0.488   2.945  -1.159  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.204   2.295   0.405  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -4.747   2.725  -0.845  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.405   2.564  -1.202  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.487   1.952  -0.331  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.958   1.529   0.923  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.300   1.688   1.284  0.00  0.00    +0.006 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -6.654   2.439   0.782  0.00  0.00    +0.191 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -7.379   1.264   0.444  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -6.765   0.652   0.003  0.00  0.00    +0.210 HD
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   2  16
ATOM     16  C   LIG    1       -0.911  -0.726  -0.288  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -2.051  -1.257  -0.914  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -2.569  -2.501  -0.539  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -1.956  -3.249   0.473  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.803  -2.746   1.083  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -0.289  -1.502   0.705  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.492  -4.604   0.850  0.00  0.00    +0.191 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.912  -5.616   0.039  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -1.279  -5.190  -0.564  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   4  25
ATOM     25  O   LIG    1        2.878   1.728  -1.734  0.00  0.00    -0.475 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.546   0.464  -1.692  0.00  0.00    +0.234 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.046   0.127  -0.279  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1        5.014   1.197   0.250  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        5.595   0.793   1.604  0.00  0.00    +0.081 C 
ATOM     30  N   LIG    1        6.251  -0.515   1.548  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1        7.026  -0.469   0.885  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        5.314  -1.554   1.117  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1        4.723  -1.249  -0.258  0.00  0.00    +0.022 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 9