REMARK  Name = BDB000598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.689   0.613  -0.595  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.456  -0.121  -0.244  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -1.537   0.729  -0.006  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.791   0.273   0.351  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.951  -1.107   0.474  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.869  -1.979   0.243  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.065   2.101  -0.195  0.00  0.00    +0.250 C 
ATOM      8  O   LIG    1       -1.714   3.117  -0.096  0.00  0.00    -0.282 OA
ATOM      9  C   LIG    1       -0.607  -1.489  -0.119  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        0.436   1.974  -0.558  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1        1.197   2.897  -0.755  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        2.008   0.060  -0.807  0.00  0.00    +0.234 C 
BRANCH  12  14
ATOM     13  O   LIG    1        2.276  -0.094   1.635  0.00  0.00    -0.249 OA
ATOM     14  C   LIG    1        2.744  -0.134   0.508  0.00  0.00    +0.323 C 
BRANCH  14  15
ATOM     15  O   LIG    1        4.050  -0.422   0.325  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        4.408  -0.503   1.235  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 3