REMARK  Name = BDB050043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.152   0.731  -1.798  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        4.219   0.809  -1.001  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1        3.620  -0.419  -0.423  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        2.332  -0.514   0.149  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        1.842  -1.741   0.619  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.649  -2.893   0.548  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.923  -2.812  -0.009  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.522  -1.527   1.082  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        0.193  -0.203   0.869  0.00  0.00    +0.034 A 
ATOM     10  N   LIG    1        1.330   0.416   0.382  0.00  0.00    -0.340 N 
ATOM     11  C   LIG    1        1.461   1.849   0.170  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1        2.864   2.372   0.425  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        4.393  -1.597  -0.493  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1        3.769   2.053  -0.652  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        4.332   2.794  -1.055  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -1.114   0.493   1.131  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.271  -0.325   0.739  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1       -2.316  -0.543  -0.719  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.709  -0.938  -1.206  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -4.727   0.167  -0.929  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -4.346   1.013   0.284  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1       -3.527   0.207   1.289  0.00  0.00    +0.085 C 
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 2