REMARK  Name = BDB060577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.196   0.093  -0.216  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.154  -0.243  -0.271  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -0.728  -1.612  -0.516  0.00  0.00    +0.038 C 
ATOM      4  C   LIG    1       -1.922  -1.918   0.392  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.252  -1.289  -0.041  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -3.176   0.057  -0.748  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -2.369   1.098   0.001  0.00  0.00    +0.165 C 
ATOM      8  O   LIG    1       -2.928   2.042   0.559  0.00  0.00    -0.292 OA
ATOM      9  C   LIG    1       -0.910   0.951  -0.011  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        0.005   1.964   0.230  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -0.202   3.400   0.561  0.00  0.00    +0.064 C 
ATOM     12  N   LIG    1        1.260   1.437   0.078  0.00  0.00    -0.354 N 
ATOM     13  H   LIG    1        2.120   1.966   0.133  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        4.681  -1.148   0.196  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        3.489  -0.339   0.235  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        3.345   0.229   1.058  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        2.360  -0.741  -0.452  0.00  0.00    +0.260 C 
ATOM     18  O   LIG    1        2.351  -1.731  -1.177  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
TORSDOF 1