REMARK  Name = BDB058536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.683   2.845   1.680  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1       -2.883   1.554   1.046  0.00  0.00    -0.231 N 
ATOM      3  C   LIG    1       -4.176   1.075   0.847  0.00  0.00    +0.275 A 
ATOM      4  O   LIG    1       -5.195   1.695   1.142  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1       -4.292  -0.259   0.228  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -3.143  -0.985  -0.069  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.256  -2.237  -0.684  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.517  -2.760  -0.983  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.667  -2.036  -0.674  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.856  -0.361   0.279  0.00  0.00    +0.154 A 
ATOM     11  C   LIG    1       -5.557  -0.784  -0.070  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1       -1.744   0.832   0.790  0.00  0.00    -0.163 NA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1       -0.541  -1.093   0.026  0.00  0.00    +0.265 C 
ATOM     14  N   LIG    1        0.431  -0.278  -0.513  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        0.233   0.717  -0.447  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -0.410  -2.270   0.317  0.00  0.00    -0.268 OA
BRANCH  14  17
ATOM     17  C   LIG    1        1.817  -0.707  -0.625  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        2.546  -0.593   0.727  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        3.253   0.751   0.878  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        4.317   0.976  -0.213  0.00  0.00    -0.014 C 
ATOM     21  C   LIG    1        5.718   0.629   0.293  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1        4.013   0.197  -1.505  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        2.513   0.083  -1.745  0.00  0.00    +0.022 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
TORSDOF 2