REMARK  Name = BDB046966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.151   0.137  -1.070  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.117   0.164  -0.405  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -2.806  -0.093  -1.055  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -1.614  -0.450  -0.388  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.422  -0.695  -1.090  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.420  -0.582  -2.498  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -1.591  -0.238  -3.172  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.598  -1.033  -0.139  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -0.010  -1.011   1.102  0.00  0.00    +0.093 A 
ATOM     10  N   LIG    1       -1.317  -0.638   0.945  0.00  0.00    -0.344 N 
ATOM     11  C   LIG    1       -2.229  -0.453   2.057  0.00  0.00    +0.140 C 
ATOM     12  C   LIG    1       -3.146   0.741   1.856  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -2.760  -0.004  -2.460  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -4.218   0.453   0.930  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -5.166   0.687   1.200  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1        2.029  -1.379  -0.436  0.00  0.00    +0.177 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.848  -0.172  -0.020  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.526  -0.128   1.210  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.272   0.994   1.579  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.352   2.090   0.724  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.687   2.067  -0.499  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.941   0.946  -0.869  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  O   LIG    1        2.435  -2.556   0.259  0.00  0.00    -0.382 OA
ATOM     24  H   LIG    1        1.718  -3.198   0.122  0.00  0.00    +0.211 HD
ENDBRANCH  16  23
ENDBRANCH   8  16
TORSDOF 3