REMARK  Name = BDB046500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.687   0.489  -0.225  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        3.415  -0.420   0.808  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        2.083  -0.780   1.055  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.583  -1.637   2.001  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1        0.284  -1.631   1.819  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.086  -0.805   0.790  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1        1.060  -0.238   0.277  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.310   0.673  -0.757  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.645   1.025  -0.993  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.463  -0.615   0.351  0.00  0.00    +0.089 C 
ATOM     11  C   LIG    1       -1.703  -1.113  -1.080  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -3.188  -1.075  -1.450  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -3.961   0.062  -0.780  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1       -3.061   1.236  -0.421  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -1.964   0.827   0.565  0.00  0.00    +0.025 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     16  O   LIG    1        6.067   0.438   0.151  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1        5.104   0.854  -0.466  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1        5.254   1.730  -1.476  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        6.223   1.872  -1.515  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3