REMARK  Name = BDB027630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169   1.062  -0.843  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.604   1.740  -1.800  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.966   1.442  -1.791  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.739   2.099  -2.737  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.291   3.000  -3.652  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.976   3.274  -3.623  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.520   0.576  -0.930  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.704  -0.006  -0.038  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.102   2.681  -2.731  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.380   0.211   0.037  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.300  -0.953   0.923  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.546  -1.519   1.963  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.149  -2.405   2.841  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.443  -2.772   2.764  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.166  -2.225   1.766  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.649  -1.330   0.842  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.566   1.283  -0.811  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1       -1.907   1.024  -1.739  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.371   0.554   0.215  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1       -2.049   1.069   1.627  0.00  0.00    +0.043 C 
ATOM     21  C   LIG    1       -3.849   0.887  -0.074  0.00  0.00    +0.043 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.242  -0.979   0.036  0.00  0.00    +0.330 C 
ATOM     23  O   LIG    1       -2.212  -1.530  -1.062  0.00  0.00    -0.248 OA
BRANCH  22  25
ATOM     24  C   LIG    1       -2.124  -3.058   1.104  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1       -2.243  -1.641   1.229  0.00  0.00    -0.466 OA
ENDBRANCH  22  25
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5